@article {42471, title = {1,4-Dipolar cycloaddition in organic synthesis: a facile route to isoquinoline fused heterocycles}, journal = {Arkivoc}, volume = {2005}, year = {2005}, month = {JAN}, pages = {178-188}, type = {Article}, abstract = {

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

}, author = {Nair, Vijay and Sreekanth, Anakkalil R. and Abhilash, N. and Biju, Akkattu T. and Varma, Luxmi and Viji, Sreemathi and Mathew, Saumini} } @article { ISI:000229464500150, title = {6(2,4-Dichlorophenoxy)dibenzo[d,f][1,3,2]dioxa-phosphepine-6-sulfide}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {61}, number = {6}, year = {2005}, month = {JUN}, pages = {O1646-O1648}, publisher = {BLACKWELL PUBLISHING}, address = {9600 GARSINGTON RD, OXFORD OX4 2DG, OXON, ENGLAND}, abstract = {

In the title compound, C18H11Cl2O3PS, the seven-membered phosphepine ring exhibits a distorted-boat conformation, with the phosphoryl sulfide group axial and the dichlorophenoxy group equatorial. Fusion of the phosphepine ring to the biphenyl system causes strain, as evidenced by both widening and compression of the endocyclic angles in the heterocyclic ring. The P=S bond length is 1.8939 (12) angstrom and the planar dichlorophenyl ring is oriented at an angle of 28.70 (6)degrees to the phosphepine ring.

}, issn = {1600-5368}, doi = {10.1107/S1600536805013991}, author = {Krishnaiah, M. and Babu, V. H. H. Surendra and Krishna, J. R. and Kumar, K. A. and Reddy, C. S. and Puranik, Vedavati G.} } @article { ISI:000230044900021, title = {[6+3] cycloaddition of fulvenes with 3-oxidopyrylium betaine: a novel methodology for the synthesis of fused cyclooctanoid natural products}, journal = {Tetrahedron Letters}, volume = {46}, number = {28}, year = {2005}, month = {JUL}, pages = {4785-4788}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Fulvenes undergo an easy [6+3] cycloaddition with 3-oxidopyrylium betaines leading to 5-8 fused oxabridged cyclooetanoids. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {cyclooctanoids, fulvenes, oxidopyrylium betaines, [6+3] cycloaddition}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.05.042}, author = {Radhakrishnan, K. V. and Krishnan, K. Syam and Bhadbhade, Mohan M. and Bhosekar, Gaurav V.} } @conference { ISI:000234856700033, title = {Arrhythmia classification using local Holder exponents and support vector machine}, booktitle = {1st International Conference on Pattern Recognition and Machine Intelligence}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {3776}, year = {2005}, note = {1st International Conference on Pattern Recognition and Machine Intelligence, Statist Inst Kolkata, Kolkata, INDIA, DEC 20-22, 2005}, month = {DEC}, pages = {242-247}, publisher = {Springer-Verlag Berlin, Heidelberger Platz 3, D-14197 Berlin, Germany}, organization = {Springer-Verlag Berlin, Heidelberger Platz 3, D-14197 Berlin, Germany}, address = { Statist Inst. Kolkata, India}, abstract = {

We propose a novel hybrid Holder-SVM detection algorithm for arrhythmia classification. The Holder exponents are computed efficiently using the wavelet transform modulus maxima (WTMM) method. The hybrid system performance is evaluated using the benchmark MIT-BIH arrhythmia database. The implemented model classifies 160 of Normal sinus rhythm, 25 of Ventricular bigeminy, 155 of Atrial fibrillation and 146 of Nodal (A-V junctional) rhythm with 96.94\% accuracy. The distinct scaling properties of different types of heart rhythms may be of clinical importance.

}, isbn = {3-540-30506-8}, issn = {0302-9743}, author = {Joshi, Aniruddha and Rajshekhar and Chandran, S. and Phadke, S. and Jayaraman, Valadi K. and Kulkarni, B. D.}, editor = {Pal, S. K. and Bandyopadhyay, Sanjoy and Biswas, S.} } @article { ISI:000226508600051, title = {Asymmetric synthesis of both the enantiomers of trans-3-hydroxypipecolic acid}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {1}, year = {2005}, month = {JAN}, pages = {360-363}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Both the enantiomers of trans -3-hydroxypipecolic acid have been synthesized employing the Sharpless asymmetric di-hydroxylation and epoxidation as the key steps starting from a commercially available starting material 1,4-butanediol.

}, issn = {0022-3263}, doi = {10.1021/jo0485381}, author = {Kumar, Pradeep and Bodas, Mandar S.} } @article { ISI:000230220900008, title = {Bacterial aerobic synthesis of nanocrystalline magnetite}, journal = {Journal of the American Chemical Society}, volume = {127}, number = {26}, year = {2005}, month = {JUL}, pages = {9326-9327}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja0508469}, author = {Bharde, Atul A. and Wani, A. and Shouche, Y. and Joy, Pattayil Alias and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000227933800013, title = {Benzoyl transfer reactivities of racemic 2,4-Di-O-acyl-myo-inosityl 1,3,5-orthoesters in the solid state: molecular packing and intermolecular interactions correlate with the ease of the reaction}, journal = {Chemistry-A European Journal}, volume = {11}, number = {7}, year = {2005}, month = {MAR}, pages = {2103-2110}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

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

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

}, keywords = {benzoylation, Gas permeability, polyphenylene oxide, selectivity}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2005.03.026}, author = {Bhole, Yogesh S. and Kharul, Ulhas K. and Somani, S. P. and Kumbharkar, S. C.} } @article { ISI:000233129500064, title = {Biocompatibility of gold nanoparticles and their endocytotic fate inside the cellular compartment: a microscopic overview}, journal = {Langmuir}, volume = {21}, number = {23}, year = {2005}, month = {NOV}, pages = {10644-10654}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

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

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

}, issn = {1528-7483}, doi = {10.1021/cg0341858}, author = {Rautaray, D. and Sanyal, A. and Bharde, Atul A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000230023100001, title = {Characterization of gas-liquid flows in rectangular bubble columns using conductivity probes}, journal = {Chemical Engineering Communications}, volume = {192}, number = {9}, year = {2005}, month = {SEP}, pages = {1129-1150}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Unsteady gas-liquid flows in bubble columns are comprised of various flow processes occurring with varying length and time scales and govern mixing and transport processes. In the present work, we have characterized dynamic and time-averaged properties of gas-liquid flows in rectangular bubble columns using conductivity probes. The development of a single-tip conductivity probe, data processing methodology, and photographic validation procedure is discussed in detail. The effect of superficial gas velocity and aerated liquid height-to-width ( H/W) ratio on voidage fluctuations and time-averaged gas holdup was investigated. The experimental data presented here can help in understanding the dynamics of various flow processes and validating computational fluid dynamics based models.

}, keywords = {Bubble column, gas holdup, gas-liquid flows, voidage fluctuations}, issn = {0098-6445}, doi = {10.1080/009864490522704}, author = {Buwa, Vivek V. and Ranade, Vivek V.} } @article { ISI:000227196900007, title = {Characterization of nanocrystalline anatase titania: an in situ HTXRD study}, journal = {Thermochimica Acta}, volume = {427}, number = {1-2}, year = {2005}, month = {MAR}, pages = {37-41}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline titania was synthesized by the hydrolysis of titanium iso-propoxide using ultrasonication. The powder XRD patterns of the sample were recorded in static air and vacuum using a Philips X-pert Pro diffractometer equipped with a high-temperature attachment (HTK16) from room temperature (298 K) to 1173 K and were analyzed by the Rietveld refinement technique. The anatase to rutile phase transformation was observed at 1173 K for the data collected in static air. Only 3\% of anatase titania transformed to rutile when the experiments were carried out at H 73 K in vacuum. The phase transformation from anatase to rutile is accompanied by a continuous increase in the crystallite size of the anatase phase from 9 nm at room temperature to 28 nm at 873 K and then to 50 nm at 1173 K in air while the process of crystallite growth was suppressed in vacuum. A linear increase in the unit cell parameters {\textquoteleft}a{\textquoteright} and {\textquoteleft}c{\textquoteright}, and thus, an overall linear increase in the unit cell volume was observed as a function of temperature in static air as well as vacuum. The lattice and volume thermal expansion coefficients (TEC), alpha(a), alpha(c), and alpha(v) at 873 K are 8.57 x 10(-6), 8.71 x 10(-6) and 25.91 x 10(-6) K-1 in air and 18.01 x 10(-6), 14.95 x 10(-6) and 51.13 x 10(-6) K-1 in vacuum, respectively. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Anatase, HTXRD, Rietveld refinement, rutile, thermal expansion coefficient, titania}, issn = {0040-6031}, doi = {10.1016/j.tca.2004.08.011}, author = {Jagtap, Neelam and Bhagwat, Mahesh and Awati, Preeti and Ramaswamy, Veda} } @article { ISI:000232157000036, title = {Cloning, preparation and preliminary crystallographic studies of penicillin V acylase autoproteolytic processing mutants}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {124-127}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104031227}, author = {Chandra, P. M. and Brannigan, James A. and Prabhune, Asmita and Pundle, A. and Turkenburg, J. P. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000232320400015, title = {Cloning, purification, crystallization and preliminary structural studies of penicillin V acylase from Bacillus subtilis}, journal = {Acta Crystallographica Section F-Structural Biology Communications}, volume = {61}, number = {7}, year = {2005}, month = {JUL}, pages = {680-683}, publisher = {INT UNION CRYSTALLOGRAPHY}, type = {Article}, address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND}, abstract = {

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

}, issn = {2053-230X}, author = {Rathinaswamy, P. and Pundle, A. V. and Prabhune, Asmita and SivaRaman, H. and Brannigan, James A. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000233129500063, title = {Cobalt and magnesium ferrite nanoparticles: preparation using liquid foams as templates and their magnetic characteristics}, journal = {Langmuir}, volume = {21}, number = {23}, year = {2005}, month = {NOV}, pages = {10638-10643}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

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

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

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

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

}, keywords = {oxide matrix, silicon nanocrystallites, swift heavy ion irradiation}, issn = {0168-583X}, doi = {10.1016/j.nimb.2005.04.069}, author = {Chaudhari, P. S. and Bhave, T. M. and Pasricha, R. and Singh, F. and Kanjilal, D. and Bhoraskar, S. V.} } @article { ISI:000226714000027, title = {Convenient synthesis of 5-methylene-4-substituted-2(5H)-furanones}, journal = {Tetrahedron Letters}, volume = {46}, number = {6}, year = {2005}, month = {FEB}, pages = {1009-1012}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {5-methylene-2(5H)-furanones, acetic anhydride, arylaldehydes, ethyl levulinate, sodium acetate}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2004.12.040}, author = {Mahajan, Vishal A. and Shinde, Popat D. and Borate, Hanumant B. and Wakharkar, Radhika D.} } @article { ISI:000232773100050, title = {Conversion of fly ash - an environmentally detrimental waste to zeolite beta (BEA) for commercial catalytic applications}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {11}, year = {2005}, month = {NOV}, pages = {3260-3263}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Zeolite beta (BEA) was synthesized hydrothermally using fly ash as a combined source of alumina and silica. The overall crystallization period required to obtain pure crystalline BEA zeolite was found to be slightly longer when fly ash was used. The physicochemical properties of BEA phases obtained using fly ash (FLBEA) and conventional source materials (CONBEA) were compared. The H/FLBEA catalyst has exhibited excellent catalytic performance in commercially important benzene isopropylation process. These results have demonstrated that converting fly ash into BEA zeolite not only alleviates the disposal problem but also turns an otherwise waste material into a marketable commodity.

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2005.00575.x}, author = {Kasture, M. W. and Bokade, Vijay V. and Joshi, P. N.} } @article { ISI:000232157000041, title = {Crystallization and preliminary x-ray characterization of a lectin from Cicer arietinum (chickpea)}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {141-143}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104032166}, author = {Katre, Uma V. and Gaikwad, S. M. and Bhagyawant, S. S. and Deshpande, U. D. and Khan, Mohammad Islam and Suresh, C. G.} } @article { ISI:000228904900011, title = {Deposition of indium nitride films by activated reactive evaporation process - a feasibility study}, journal = {Applied Surface Science}, volume = {245}, number = {1-4}, year = {2005}, month = {MAY}, pages = {73-78}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Contact angle measurement, FTIR, PTFE, RF plasma sputtering, XPS}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2004.10.023}, author = {Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A.} } @article { ISI:000233790400003, title = {Determination of C-13 CSA tensors: extension of the model-independent approach to an RNA kissing complex undergoing anisotropic rotational diffusion in solution}, journal = {Journal of Biomolecular NMR}, volume = {33}, number = {3}, year = {2005}, month = {NOV}, pages = {163-174}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Chemical shift anisotropy (CSA) tensor parameters have been determined for the protonated carbons of the purine bases in an RNA kissing complex in solution by extending the model-independent approach [Fushman, D., Cowburn, D. (1998) J. Am. Chem. Soc. 120, 7109-7110]. A strategy for determining CSA tensor parameters of heteronuclei in isolated X-H two-spin systems (X = C-13 or N-15) in molecules undergoing anisotropic rotational diffusion is presented. The original method relies on the fact that the ratio kappa(2)=R-2(auto)/R-2(cross) of the transverse auto- and cross-correlated relaxation rates involving the X CSA and the X-H dipolar interaction is independent of parameters related to molecular motion, provided rotational diffusion is isotropic. However, if the overall motion is anisotropic kappa(2) depends on the anisotropy D parallel to/D-perpendicular to of rotational diffusion. In this paper, the field dependence of both kappa(2) and its longitudinal counterpart kappa(1)=R-1(auto)/R-1(cross) are determined. For anisotropic rotational diffusion, our calculations show that the average kappa(av) = 1/2 (kappa(1)+kappa(2)), of the ratios is largely independent of the anisotropy parameter D parallel to/D-perpendicular to. The field dependence of the average ratio kappa(av) may thus be utilized to determine CSA tensor parameters by a generalized model-independent approach in the case of molecules with an overall motion described by an axially symmetric rotational diffusion tensor.

}, keywords = {anisotropic rotational diffusion, chemical shift anisotropy tensors, cross-correlation, model-independent approach, NMR}, issn = {0925-2738}, doi = {10.1007/s10858-005-3472-7}, author = {Ravindranathan, S and Kim, CH and Bodenhausen, G} } @article { ISI:000230717500010, title = {DNA-binding studies of mixed ligand cobalt(III) complexes}, journal = {Transition Metal Chemistry}, volume = {30}, number = {3}, year = {2005}, month = {APR}, pages = {312-316}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, issn = {0340-4285}, doi = {10.1007/s11243-004-5855-0}, author = {Barve, A. C. and Ghosh, Smita and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G.} } @article { ISI:000231564300102, title = {Effect of disorder on the magnetic properties of LaMn0.5Fe0.5O3}, journal = {Physical Review B}, volume = {72}, number = {5}, year = {2005}, month = {AUG}, pages = {054426}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

Polycrystalline LaMn0.5Fe0.5O3 is synthesized by a low-temperature method and the magnetic properties of the resulting powder have been studied after annealing the sample in air at different temperatures in the range 200 degrees C-1350 degrees C. Room temperature Mossbauer spectroscopic studies show that the Fe ions are present in the +3 oxidation state in the material. However, the magnetic properties vary widely in an unexpected manner when samples are annealed at different temperatures. Zero field cooled magnetization studies show a cusp below 100 K, for the sample annealed at 200 degrees C, indicating a spin-glass-like or superparamagnetic behavior. However, this cusp disappears completely when the sample is annealed at 700 degrees C but still showing a magnetic hysteresis loop with reduced magnetization at low temperatures. The cusp again appears when the sample is annealed at higher temperatures with increasing low-temperature magnetization. EPR and IR spectroscopic studies indicate changes in the distribution of Mn3+ and Fe3+ ions in the lattice. The overall results can be explained in terms of random distribution of Mn3+ and Fe3+ ions in the lattice and formation of some magnetic clusters, with the degree of distribution of the ions varying for samples annealed at different temperatures.

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.054426}, author = {Bhame, Shekhar D. and Joly, V. L. Joseph and Joy, Pattayil Alias} } @article { ISI:000229128300059, title = {Effect of NaBr, KCl, KBr, and MgCl2 on viscosities of aqueous glycine and L-alanine solutions at 298.15 K}, journal = {Journal of Chemical and Engineering Data}, volume = {50}, number = {3}, year = {2005}, month = {JUN}, pages = {1083-1086}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0021-9568}, doi = {10.1021/je050048y}, author = {Badarayani, Rohini and Satpute, D. B. and Kumar, Anil} } @article { ISI:000233001300007, title = {Efficient and improved method for the Biginelli reaction using solid superacid (sulphated SnO2)}, journal = {Heterocyclic Communications}, volume = {11}, number = {5}, year = {2005}, month = {OCT}, pages = {399-402}, publisher = {FREUND PUBLISHING HOUSE LTD}, type = {Article}, address = {PO BOX 35010, TEL AVIV 61350, ISRAEL}, abstract = {

One-pot synthesis of 3,4-dihydropyrimidin-2(1H)-one (DHPM) has been effected efficiently by coupling of the three components, aldehyde, ethyl acetoacetate and urea/thiourea in the presence of solid Superacid (sulphated SnO2). The method presented herein is attractive with respect to yield, reaction time, workup procedure and reusable catalyst.

}, keywords = {Biginelli, DHPM, sulphated SnO2}, issn = {0793-0283}, author = {Bhosale, R. S. and Hashmi, A. M. and Zubaidha, P. K. and Dongare, Mohan K.} } @article { ISI:000227930800016, title = {Efficient method for the synthesis of methyl 11 alpha-amino-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate}, journal = {Tetrahedron}, volume = {61}, number = {14}, year = {2005}, month = {APR}, pages = {3605-3612}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {11-aminosteroid, 11-azidosteroid, base catalyzed epimerization, HIV-1 protease inhibitors, steroidal enamines}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.073}, author = {Salunke, D. B. and Hazra, Braja G. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Pore, V. S.} } @article { ISI:000234174800006, title = {Enantioselective synthesis of 1-azaspiro[5.5]undecane ring system of histrionicotoxin alkaloids from D(+)-glucose}, journal = {Heterocycles}, volume = {65}, number = {12}, year = {2005}, month = {DEC}, pages = {2901-2916}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Histrionicotoxins, the archetype of a group of spiropiperidine containing alkaloids from the brightly colored poison arrow frog Dendrobates histronicus native to the Amazon rain forests of Southern Columbia, was first isolated by Daly, Witkop and co-workers in 1971.1 They all share a common Iazaspiro[5.5]undecan-8-ol ring system with unsaturated C4 or C5 side chains at both the 2 and 7 positions. The nature and length of the side chains distinguish the different members of the histrionicotoxin family.

}, keywords = {chiron approach, domino reaction, Ring closing metathesis}, issn = {0385-5414}, author = {Bera, Smritilekha} } @article { ISI:000229384000005, title = {Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes}, journal = {Journal of Chemical Information and Modeling}, volume = {45}, number = {3}, year = {2005}, month = {MAY}, pages = {572-580}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A wide range of molecular representations exist today, ranging from human-readable structural diagrams over line notations such as Wiswesser Line Notation (WLN) and SMILES to several dozen computer-readable file formats. Still, to encode molecular structures in a computer-readable way for inputting structures in computer systems those formats are not the method of choice since they are not easily and faultlessly readable via optical recognition. In the present study a two-dimensional (PDF417) barcode representation of molecular structures in SMILES format is explored that enables the user to read and input molecular structures into computer systems in a fully automated fashion. A Lempel-Ziv-Welch (LZW) based compressed version of SMILES is suggested for cases where the size of the structure exceeds the storage capacity of PDF417 barcodes. Alternatively, the compact ACS format may be employed as a structural representation. The input via barcodes is fast, practically error free due to the 2D barcodes used which employ error correction and fully automatic. A Web application interface is developed which is able to interpret these barcodes and export them as optimized 3D chemical structures. Applications of this representation range from keeping automated storage systems to Web-based tracking systems of molecular samples. The National Chemical Laboratory, Pune, employs 2D barcode encoded structures for in-house repository management, where barcodes can also be used for querying the database for similar or substructures of the query structure.

}, issn = {1549-9596}, doi = {10.1021/ci049758i}, author = {Karthikeyan, Muthukumarasamy and Bender, Andreas} } @article { ISI:000232737900002, title = {Enzymatic hydrolysis of delignified bagasse polysaccharides}, journal = {Carbohydrate Polymers}, volume = {62}, number = {1}, year = {2005}, month = {OCT}, pages = {6-10}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {bagasse polysaccharides, Cellulase, chemical treatment, Enzymatic hydrolysis, Penicillium janthinellum, Sugarcane bagasse, Xylanase}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2005.07.010}, author = {Adsul, Mukund G. and Ghule, J. E. and Shaikh, H. and Singh, R. and Bastawade, Kulbhushan B. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000226424000029, title = {Epoxidation of styrene by anhydrous hydrogen peroxide over boehmite and alumina catalysts with continuous removal of the reaction water}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {227}, number = {1-2}, year = {2005}, month = {MAR}, pages = {217-222}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Boehmite and alumina (obtained from the boehmite by its calcination at different temperatures 300-900degreesC) are active and stable catalysts for the selective epoxidation of styrene by anhydrous H2O2 to styrene oxide with continuous removal of the reaction water. Influence of the catalyst (boehemite) calcination temperature, H2O2/styrene ratio and catalyst loading on the styrene conversion and selectivity for styrene oxide. phenyl acetaldehyde. benzaldehyde and benzoic acid in the epoxidation has been investigated. In the presence of water. the catalyst shows very poor activity and selectivity in the epoxidation. The catalyst also catalyses H2O2 decomposition and hence has optimum loading for obtaining high-styrene conversion in the epoxidation. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Alumina, anhydrous hydrogen peroxide, boehmite, Epoxidation of styrene, Styrene oxide}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.10.025}, author = {Choudhary, Vasant R. and Patil, N. S. and Chaudhari, Nitin K. and Bhargava, Suresh Kumar} } @article { ISI:000226532100006, title = {Factors affecting activation and utilization of carbon dioxide in cyclic carbonates synthesis over Cu and Mn peraza macrocyclic complexes}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {2}, year = {2005}, month = {FEB}, pages = {199-205}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {benign synthesis, Carbon dioxide, catalysis by Cu and Mn complexes, CO2 activation, CO2 fixation, CO2 utilization, cyclic carbonates, polycarbonates, spectroscopy}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.10.034}, author = {Srivastava, R. and Bennur, T. H. and Srinivas, D.} } @article { ISI: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 {43217, title = {First synthesis of a noreremophilane isolated from the roots of ligularia przewalskii}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {AUG}, pages = {5211-5213}, abstract = {

The total synthesis of a natural product noreremophilane has been achieved in just three steps from readily available starting materials. A highly stereo- and regio-selective Diels-Alder reaction was the key step in Our synthesis. (c) 2005 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2005.05.130}, author = {Reddy, D. Srinivasa and Palani, K. and Balasubrahmanyam, D. and Kamath, V. B. and Iqbal, Javed} } @article { ISI:000230286900008, title = {Fungus-mediated biosynthesis of silica and titania particles}, journal = {Journal of Materials Chemistry}, volume = {15}, number = {26}, year = {2005}, month = {MAY}, pages = {2583-2589}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {0959-9428}, doi = {10.1039/b503008k}, author = {Bansal, Vipul and Rautaray, D. and Bharde, Atul A. and Ahire, Kedar C. and Sanyal, A. and Ahmad, Absar and Sastry, Murali} } @article { ISI:000230551600007, title = {General kinetic model framework for the interpretation of adiabatic calorimeter rate data}, journal = {Chemical Engineering Journal}, volume = {110}, number = {1-3}, year = {2005}, month = {JUN}, pages = {67-78}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Notwithstanding the variety and complexity of the reactions studied by adiabatic calorimeters like ARC, the data interpretation techniques are not general enough. Traditional thermokinetic analysis primarily lumps a complex multi-step reaction into a single overall reaction and ignores possible thermal effects in some of the possible side reactions. With detailed chromatographic/mass spectrometric analysis of the headspace gases and the condensed phase residues, the pressure profile becomes an additional source of identification of the mechanism and the kinetics of the overall reaction. Finally, in the context of new multiphase catalytic processes of greater efficiency and environment friendliness and with reference to the storage of potentially incompatible fluid mixtures in metallic containers, ARC studies of heterogeneous reaction systems are becoming part of the mandatory safety evaluations. With a few additional measurements a proper kinetic interpretation of the ARC data on such systems seems possible. The paper presents a general model that was shown to be easily adaptable to a number of published reactions of various complexities referred to above. Standard thermal hazard characteristics like the onset temperature, adiabatic temperature rise, self-heat rate, time-to-maximum rate, pressure-temperature profile, etc. could be accurately calculated by the model and these compared closely with the experimental data. It is hoped that the model would be useful as a general-purpose tool for the interpretation of adiabatic calorimetric data for the purpose of process hazard assessment. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {accelerating rate calorimeters (ARC), Kinetic modeling, MOC (material of construction) incompatibility in storage, multi-step reactions, runaway reactions}, issn = {1385-8947}, doi = {10.1016/j.cej.2005.05.003}, author = {Bhattacharya, Arijit} } @article { ISI:000229384000006, title = {General melting point prediction based on a diverse compound data set and artificial neural networks}, journal = {Journal of Chemical Information and Modeling}, volume = {45}, number = {3}, year = {2005}, month = {MAY}, pages = {581-590}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1549-9596}, doi = {10.1021/ci0500132}, author = {Karthikeyan, Muthukumarasamy and Glen, R. C. and Bender, Andreas} } @article { ISI:000230839600024, title = {Heavy-metal remediation by a fungus as a means of production of lead and cadmium carbonate crystals}, journal = {Langmuir}, volume = {21}, number = {16}, year = {2005}, month = {AUG}, pages = {7220-7224}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la047132g}, author = {Sanyal, A. and Rautaray, D. and Bansal, Vipul and Ahmad, Absar and Sastry, Murali} } @article { ISI:000227853700025, title = {Highly active and selective AlSBA-15 catalysts for the vapor phase tert-butylation of phenol}, journal = {Applied Catalysis A-General}, volume = {281}, number = {1-2}, year = {2005}, month = {MAR}, pages = {207-213}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hexagonally ordered mesoporous AISBA-15 catalysts having n(Si)/(nA]) ratios from 7 to 215 have been synthesized hydrothermally using a cheap non-ionic block copolymer as the structure-directing agent. The obtained materials were analyzed by XRD and nitrogen adsorption to determine the structural order and the textural properties. It has been observed by Al-27 MAS NMR spectroscopy that aluminum atoms are exclusively in tetrahedral coordination for all samples except AISBA-15(7), where octahedral aluminum has been detected to some extent. Temperature-programmed desorption of pyridine showed that AISBA-15(45) has a higher number of strong acid sites as compared to other mesoporous materials such as FeMCM-41, AIMCM-41 and FcAlMCM-41. The catalyst AlSBA-15(45)showed superior performance in the acid-catalyzed tertiary butylation of phenol employing tert-butanol as the alkylation agent. A high phenol conversion of 86.3\% is observed for this catalyst at a reaction temperature of 150 degrees C. Over AISBA-15(45), the 4-TBP yield amounts to 40.5\% and the 2,4-DTBP yield corresponds to 37.9\%. (c) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Acidity, AlSBA-15, aluminum incorporation, butylation of phenol, SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2004.11.031}, author = {Vinu, A. and Devassy, Biju M. and Halligudi, Shivaraj B. and Bohlmann, W. and Hartmann, Martin} } @article { ISI:000227509900026, title = {Highly active new alpha-diimine nickel catalyst for the polymerization of alpha-olefins}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {5}, year = {2005}, month = {MAR}, pages = {1314-1323}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {alpha-diimine nickel complex, Ethylene polymerization, late transition-metal, propylene polymerization}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.046}, author = {Liu, Hua-Rong and Gomes, P. T. and Costa, S. I. and Duarte, M. T. and Branquinho, R. and Fernandes, A. C. and Chien, J. C. W. and Singh, R. P. and Marques, Maria M.} } @article { ISI:000227321900006, title = {Hydrophobically modified poly(acrylic acid) using 3-pentadecylcyclohexylamine: synthesis and rheology}, journal = {Macromolecular Chemistry and Physics}, volume = {206}, number = {4}, year = {2005}, month = {FEB}, pages = {464-472}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

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

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

}, issn = {1528-7483}, doi = {10.1021/cg050272j}, author = {Bhosekar, Gaurav V. and Murali, Chebrolu and Gonnade, Rajesh G. and Shashidhar, M. S. and Bhadbhade, Mohan M.} } @article { ISI:000231864200007, title = {In ovulo rescue of hybrid embryos in flame seedless grapes - influence of pre-bloom sprays of benzyladenine}, journal = {Scientia Horticulturae}, volume = {106}, number = {3}, year = {2005}, month = {OCT}, pages = {353-359}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Based on the theory that cytokinins are known to increase the sink strength of seeds for assimilates, the present investigation was carried out to study the influence of pre-bloom and bloom time sprays of benzyladenine (BA) on embryo recovery, germination and plant development in Flame Seedless grape variety by using in ovulo rescue methods. The combined effect of pollen parent type and sprays of BA drastically improved these parameters and the embryo recovery was more than doubled in all the crosses, except in cross FS x Concord. Also, germination of embryos was higher when BA sprays were given. Recovery of embryos and growth depended on BA treatment and the pollen parent types. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {benzyladenine, flame seedless, in ovulo embryo rescue, interspecific hybridization, Vitis spp.}, issn = {0304-4238}, doi = {10.1016/j.scienta.2005.04.002}, author = {Bharathy, P. V. and Karibasappa, G. S. and Patil, S. G. and Agrawal, Dinesh C.} } @article { ISI:000227016500007, title = {In situ XPS investigations of Cu1-xNixZnAl-mixed metal oxide catalysts used in the oxidative steam reforming of bio-ethanol}, journal = {Applied Catalysis B - Environmental}, volume = {55}, number = {4}, year = {2005}, month = {FEB}, pages = {287-299}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {auger electron spectroscopy, Autothermal reforming, Bio-ethanol, copper oxide, fuel cell, Hydrogen, hydrotalcite, mixed metal oxides, nickel oxide, oxidative steam reforming, Steam reforming, XPS}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2004.09.007}, author = {Velu, S. and Suzuki, K. and Vijayaraj, M. and Barman, S. and Gopinath, Chinnakonda S.} } @article { ISI:000232694100001, title = {Inactive enzymatic mutant proteins (phosphoglycerate mutase and enolase) as sugar binders for ribulose-1,5-bisphosphate regeneration reactors}, journal = {Microbial Cell Factories}, volume = {4}, year = {2005}, month = {FEB}, pages = {Article No. 5}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND}, abstract = {

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

}, issn = {1475-2859}, doi = {10.1186/1475-2859-4-5}, author = {De, Dinesh and Dutta, D. and Kundu, M. and Mahato, S. and Schiavone, M. T. and Chaudhuri, S. and Giri, Ashok P. and Gupta, Vidya and Bhattacharya, S. K.} } @article { ISI:000228136800013, title = {IndOBIS, an ocean biogeographic information system for assessment and conservation of indian ocean biodiversity}, journal = {Indian Journal of Marine Sciences}, volume = {34}, number = {1}, year = {2005}, note = {Workshop on Coastal and Marine Biodiversity of Indian Ocean Countries, Goa, INDIA, DEC, 2003}, month = {MAR}, pages = {120-127}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Compilation of inventories of components of coastal and marine biodiversity of Indian Ocean is hampered by several factors: low effort by some countries, preference to certain taxon, dwindling taxonomic expertise, low infrastructure of Information Technology, databases that are scattered and often non-interoperable, inconsistent reporting and a marked reluctance to share data and information. The creation of the Indian Ocean node of the Ocean Biogeographic Information System is meant to overcome some of these constraints. Benefiting from progress in Information Technology and building on the global efforts on understanding what lives in our seas, the IndOBIS aims to grow into a self-sustaining and collectively supported process of information collation, analysis and dissemination, serving the countries of the region and the international scientific community.

}, keywords = {biodiversity informatics, biogeography, distributed database systems, Indian Ocean, IndOBIS, information systems, Ocean Biogeographic Information System}, issn = {0379-5136}, author = {Chavan, V. and Achuthankutty, C. T. and Vanden Berghe, E. and Wafar, M.} } @article { ISI:000233927900004, title = {Influence of hydrothermal pretreatment on acidity and activity of H-GaAlMFI zeolite for the propane aromatization reaction}, journal = {Microporous and Mesoporous Materials}, volume = {87}, number = {1}, year = {2005}, month = {DEC}, pages = {23-32}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The acidity and propane aromatization activity of H-GaAlMFI has been investigated subsequent to different hydrothermal (HT) pretreatments. Extensive degalliation of framework Ga occurred during the HT pretreatments; the framework Si/Ga ratio nearly doubled when the steam concentration was increased from 0\% to 80\%. The extent of degalliation and corresponding loss of strong zeolitic acidity (measured in terms of pyridine chemisorbed at 400 degrees C) was particularly severe at high (\> 500 degrees C) temperatures and steam concentrations (\> 40 mol\%). Framework Al in the GaAlMFI zeolite was found to be very stable; the FW Si/Al ratio did not change to any appreciable extent even after severe HT pretreatments. Each of the HT pretreatment parameters (concentration of steam: 0-80\%, HT temperature: 400-600 degrees C and length of HT pretreatment: 0-6 h) showed a profound influence on the propane aromatization activity. The product selectivity was, however, only mildly affected by the HT pretreatments. The following factors were found to be important for high propane aromatization activity (a) strong zeolitic acidity and (b) optimal content/dispersion of the extra-framework Ga species which are formed in situ during the HT pretreatments. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {Acidity, aromatic distribution, Ga-based zeolites, hydrothermal treatment and steam, propane aromatization}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2005.07.028}, author = {Choudhary, Tushar V. and Kinage, A. and Banerjee, S. and Choudhary, Vasant R.} } @article { ISI:000226717900001, title = {Influence of PdO content and pathway of its formation on methane combustion activity}, journal = {Catalysis Communications}, volume = {6}, number = {2}, year = {2005}, month = {FEB}, pages = {97-100}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The methane oxidation reaction is known to induce changes in the surface structure and composition of Pd catalysts; making it extremely arduous to relate the methane oxidation activity to specific catalyst properties by conventional methods (continuous flow reactor studies). To circumvent this, methodical pulse reactor studies have been undertaken to obtain correlations between the initial methane combustion activity and the catalyst properties (Pd-0/PdO content and path of PdO formation). While the initial methane combustion activity (at 160-280 degreesC) continuously increased with increasing PdO concentration (0-100\%) in the catalyst, it continuously decreased with increasing Pddegrees content (0-100\%). Controlled studies were undertaken to obtain catalysts with identical PdO content by two pathways: (i) by controlled partial oxidization of Pd-0/Al2O3 and (ii) by controlled partial reduction of PdO/Al2O3. Interestingly, for a given PdO content, the catalysts obtained by partial oxidation of Pd-0/Al2O3 showed a significantly superior performance to the catalyst obtained by partial reduction of PdO/Al2O3 for all the temperatures investigated. These studies unambiguously show that along with the relative concentration of PdO, the PdO formation pathway is also critical in deciding the methane combustion activity of the catalyst. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Methane combustion, Oxidation, partially oxidized Pd-0/Al2O3, partially reduced PdO/Al2O3, Pd-0/Al2O3, PdO/Al2O3, pulse reaction of methane}, issn = {1566-7367}, doi = {10.1016/j.catcom.2004.11.004}, author = {Choudhary, Tushar V. and Banerjee, S. and Choudhary, Vasant R.} } @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:000232737900009, title = {Lignin-carbohydrate complexes from sugarcane bagasse: preparation, purification, and characterization}, journal = {Carbohydrate Polymers}, volume = {62}, number = {1}, year = {2005}, month = {OCT}, pages = {57-66}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

}, keywords = {Alkylation, long-chain olefins, phenol, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.06.046}, author = {Sarish, S. and Devassy, Biju M. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000227146700004, title = {MCM-41-supported platinum carbonyl cluster-derived asymmetric hydrogenation catalyst}, journal = {Journal of Catalysis}, volume = {229}, number = {2}, year = {2005}, month = {JAN}, pages = {298-302}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

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

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

}, issn = {0340-4285}, doi = {10.1007/s11243-004-5861-2}, author = {Saha, D. K. and Patitungkho, S. and Padhye, S. and Deobagkar, D. N. and Ozarkar, A. and Bhadbhade, Mohan M. and Gonnade, Rajesh G.} } @article { ISI:000229786700020, title = {Microwave promoted solvent-free one-pot synthesis of N,N {\textquoteleft}-disubstituted urea derivatives}, journal = {Journal of Chemical Research-S}, number = {3}, year = {2005}, month = {MAR}, pages = {205-208}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

An efficient one-pot synthesis of N,N -disubstituted urea derivatives from substituted anilines, ethyl chloroformate and methyl anthranilate or methyl 3-amino-2-butenoate under microwave irradiation is reported.

}, keywords = {Anilines, methyl 3-amino-2-butenoate, methyl anthranilate, Microwave, urea derivatives}, issn = {0308-2342}, author = {Jadhav, Vinod H. and Deshpande, S. S. and Borate, Hanumant B. and Wakharkar, R. D.} } @article { ISI:000227513700006, title = {Modeling a continuous multistage liquid phase cyclohexane oxidation reactor network}, journal = {Chemical Engineering and Processing}, volume = {44}, number = {5}, year = {2005}, month = {MAY}, pages = {567-579}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A model is presented for a continuous multistage liquid phase cyclohexane oxidation reactors-in-series network, which uses, unlike previous efforts, a closed form rate model derived on the basis of the well-known free-radical kinetic mechanism of the oxidation reaction leading to a more generalized representation of the oxygen dependence of the rate. The model calculates the required transport and hydrodynamic parameters by one of the best available set of correlations shown earlier to be successfully used in cyclohexane oxidation in a well-designed laboratory reactor. Process sensitivities with regard to variables such as air rate, residence time, head pressure, inlet air composition and sparger configuration have been predicted. Some of these trends compared very well with the limited published experimental data in a three (351) agitated and sparged tank-in-series reactor system, thus partially validating the model. The model has highlighted a fairly generalized way of correlating performance data from a given reactor, namely in terms of a yield-conversion characteristic which can change depending on the mass transfer efficiency and the effective kinetics. Hence, it can aid in plant monitoring and optimization. It has also been shown how to use the same as an aid in preliminary scale-up studies based on laboratory or pilot plant reactor performance data. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {continuous multistage reactor, Cyclohexane, Liquid phase oxidation}, issn = {0255-2701}, doi = {10.1016/j.cep.2004.07.002}, author = {Bhattacharya, Arijit} } @article { ISI:000234827500083, title = {Molecular dynamics simulations of H2O with sites of Cu-I-FAU and Cu-II-FAU}, journal = {Studies in surface science and catalysis }, volume = {158}, number = {A-B}, year = {2005}, note = {3rd Conference of the Federation-of-European-Zeolite-Association, Prague, CZECH REPUBLIC, AUG 23-29, 2005}, month = {OCT}, pages = {655-662}, publisher = {Elsevier Science}, type = {Article, Proceedings Paper}, address = {Prague, Czech Republic}, abstract = {

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

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

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

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

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

}, issn = {1520-6106}, doi = {10.1021/jp050806r}, author = {Gholap, S. G. and Badiger, Manohar V. and Gopinath, Chinnakonda S.} } @article { ISI:000228658400021, title = {Morphology and chain dynamics during collapse transition of PNIPAM gels studied by combined imaging, relaxometry and Xe-129 spectroscopy techniques}, journal = {Magnetic Resonance Imaging}, volume = {23}, number = {2, SI}, year = {2005}, note = {7th International Conference on Magnetic Resonance in Porous Media (MRPM7), Palaiseau, FRANCE, JUL 04-08, 2004}, month = {FEB}, pages = {249-253}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {gel, networks, phase transition, relaxometry, Xe-129 spectroscopy}, issn = {0730-725X}, doi = {10.1016/j.mri.2004.11.019}, author = {Kariyo, Sobiroh and Kuppers, Markus and Badiger, Manohar V. and Prabhakar, A. and Jagadeesh, Bharatam and Stapf, S. and Blumich, B.} } @article { ISI:000226669000004, title = {New bis-andrographolide ether from androgphis paniculata nees and evaluation of anti-HIV activity}, journal = {Natural Product Research}, volume = {19}, number = {3}, year = {2005}, month = {APR}, pages = {223-230}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

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

}, keywords = {Acanthaceae, Andrographis paniculata, anti-HIV, bis-andrographolide ether, Cytotoxic activity}, issn = {1478-6419}, doi = {10.1080/14786410410001709197}, author = {Reddy, V. L. N. and Reddy, S. M. and Ravikanth, V. and Krishnaiah, P. and Goud, T. V. and Rao, T. P. and Ram, T. S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Venkateswarlu, Y} } @article { ISI:000233685400032, title = {New route for the synthesis of propylene glycols via hydroformylation of vinyl acetate}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {25}, year = {2005}, note = {Joint 5th International Symposium on Catalysis in Multiphase Reactors/4th International Symposium on Multifunctional Reactors, Portoroz-Portorose, SLOVENIA, JUN 15-18, 2005}, month = {DEC}, pages = {9601-9608}, publisher = {Amer Chemical Soc, 1155 16th ST, NW, Washington, DC 20036 USA}, type = {Article, Proceedings Paper}, address = {Portoroz-Portorose, Slovenia}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie050272g}, author = {Borole, Yogesh L. and Chaudhari, Raghunath V.} } @article { ISI:000230075800013, title = {Noncovalent and nonspecific molecular interactions of polymers with multiwalled carbon nanotubes}, journal = {Chemistry of Materials}, volume = {17}, number = {13}, year = {2005}, month = {JUN}, pages = {3389-3397}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm047866e}, author = {Baskaran, Durairaj and Mays, Jimmy W. and Bratcher, Matthew S.} } @article { ISI:000233052200016, title = {O-H center dot center dot center dot O-bridged dimers linked via C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions in 4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {61}, number = {11}, year = {2005}, month = {NOV}, pages = {O628-O630}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {0108-2701}, doi = {10.1107/S0108270105029422}, author = {Manoj, Kochunnoonny and Devaraj, Subramanian and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article {42470, title = {One pot four component reaction of isocyanides, dimethyl acetylenedicarboxylate and cyclobutene-1,2-diones: synthesis of spiro heterocycles}, journal = {Tetrahedron Letters}, volume = {48}, year = {2005}, month = {JAN}, pages = {1337{\textendash}1339}, abstract = {

Isocyanides, dimethyl acetylenedicarboxylate, and cyclobutene-1,2-diones react in one-pot to afford novel spirocyclic compounds with double insertion of the isocyanide.

}, doi = {10.1016/j.tetlet.2004.12.117.}, author = {Nair, Vijay and Menon, Rajeev S. and Deepthi, Ani B. and Devi, Rema and Biju, Akkattu T.} } @article { ISI:000234204300019, title = {Oriented growth of nanocrystalline gamma ferric oxide in electrophoretically deposited films}, journal = {Hyperfine Interactions}, volume = {160}, number = {1-4}, year = {2005}, note = {International Workshop on Nanomaterials, Magnetic Ions and Magnetic Semiconductors Studies mostly by Hyperfine Interactions, M S Univ Baroda, Phys Dept, Baroda, INDIA, FEB 10-14, 2004}, month = {JAN}, pages = {199-209}, publisher = {Springer, Van Godewijckstraat 30, 3311 GZ Dordrecht, Netherlands}, type = {Article, Proceedings Paper}, address = { M S Univ Baroda, Phys Dept, Baroda, INDIA}, abstract = {

Films of nanocrystalline gamma-Fe2O3 were deposited on silicon substrates by using the technique of electrophoretic deposition. The precursor powder was nanocrystalline gamma-Fe2O3, which was synthesized, using DC arc plasma in the oxygen ambient by vapour-vapour interaction in gas phase condensation; at a stabilized arc current of 40 A. This powder was characterized by X-ray diffraction, Transmission Electron Microscopy, Vibrating Sample Magnetometer and Mossbauer Spectroscopy. An increase in directional coercivity was observed in case of films deposited on silicon substrates, which is dramatically significant. Preferred orientation of almost similar sized nanocrystalline magnetic domains in deposited films is evident from the results of X-ray diffraction and Transmission Electron Microscopy results. The preferred alignment of the nanocrystallites seems to be responsible for the significant changes observed in magnetic properties of films.

}, issn = {0304-3843}, doi = {10.1007/s10751-005-9165-5}, author = {Bhave, T. M. and Balasubramanian, C. and Nagar, H. and Kulkarni, S. and Pasricha, R. and Bakare, P. P. and Date, Sadgopal K. and Bhoraskar, S. V.} } @article { ISI:000227393300019, title = {Phase transfer of oleic acid capped NicoreAgshell nanoparticles assisted by the flexibility of oleic acid on the surface of silver}, journal = {Journal of Colloid and Interface Science}, volume = {283}, number = {2}, year = {2005}, month = {MAR}, pages = {422-431}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {(1) HNMR, FTIR, Phase transfer, transmetalation core-shell nanoparticles, UV-Vis}, issn = {0021-9797}, doi = {10.1016/j.jcis.2004.09.018}, author = {Bala, Tanushree and Swami, A. and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000232326700015, title = {Porous gold nanospheres by controlled transmetalation reaction: a novel material for application in cell imaging}, journal = {Chemistry of Materials}, volume = {17}, number = {20}, year = {2005}, month = {OCT}, pages = {5000-5005}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm051165f}, author = {Shukla, Sourabh and Priscilla, Anie and Banerjee, Meenal and Bhonde, Ramesh R. and Ghatak, J. and Satyam, P. V. and Sastry, Murali} } @article { ISI:000233067000013, title = {Preparation and characterization of a copper based Indian traditional drug: tamra bhasma}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {39}, number = {5}, year = {2005}, month = {OCT}, pages = {951-955}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The copper based Indian traditional drug {\textquoteleft}tamra bhasma{\textquoteright} is administered for various ailments since long. Its synthesis involves treating metallic copper with plant juices and then repeated calcination in presence of air so that the metallic state is transformed into the corresponding oxide form traditionally known as {\textquoteleft}bhasma{\textquoteright}. In this work, we present a systematic characterization of this traditional drug using various techniques like X-ray diffraction (XRD), scanning electron microscopy (SEM)-energy dispersive X-ray analysis (EDX), X-ray photoelectron spectroscopy (XPS), infrared spectroscopy (IR), thermogravimetry (TG) and surface area measurement. The results obtained were found to match very well with those of a standard copper oxide confirming the composition of the drug sample. In addition, some specific findings were also made which could help in interpreting the therapeutic properties of the traditional drug {\textquoteleft}tamra bhasma{\textquoteright}. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {copper oxide, crystallite size, tamra bhasma, traditional medicine, XPS of copper oxide, XRD}, issn = {0731-7085}, doi = {10.1016/j.jpba.2005.06.015}, author = {Wadekar, M. P. and Rode, C. V. and Bendale, Y. N. and Patil, K. R. and Prabhune, Asmita} } @article { ISI:000226756100018, title = {Preparation, characterization, and water-sorption study of polyvinyl alcohol based hydrogels with grafted hydrophilic and hydrophobic segments}, journal = {Journal of Applied Polymer Science}, volume = {95}, number = {5}, year = {2005}, month = {MAR}, pages = {1129-1142}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Characterization, equilibrium swelling, grafting, IPN hydrogels, polyvinyl alcohol}, issn = {0021-8995}, doi = {10.1002/app.21344}, author = {Shukla, S. and Bajpai, A. K. and Kulkarni, R. A.} } @article { ISI:000228868600016, title = {Rapid hydrothermal synthesis route for nanocrystalline SrZrO3 using reactive precursors}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {119}, number = {1}, year = {2005}, month = {MAY}, pages = {87-93}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Synthesis of nanocrystalline, orthorhombic (space group Pnma) SrZrO3 was achieved using appropriate molar proportions of nitrate salts of strontium and zirconium as precursors. Formation of SrZrO3 (SZ) was facilitated hydrothermally in time period as less as half-an-hour, in aqueous medium with alkaline pH as confirmed by XRD. Sample characterization was performed by FT-IR spectroscopy; powder XRD, SEM, TEM and DSC. The results have been explained by proposing a suitable reaction mechanism based on the step-wise analysis of the reaction intermediates using FT-IR as well as XRD. A double cation hydroxide composite formation is anticipated that under hydrothermal conditions results in the formation of SrZrO3. Morphology of the samples was determined with the help of SEM and TEM. The particle size distribution as seen from the TEM micrograph lies in the range of 15-25 nm. Heats of reaction for different decomposition steps were obtained by DSC. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Crystallization, diffraction, Electron microscopy, infrared spectroscopy}, issn = {0921-5107}, doi = {10.1016/j.mseb.2005.01.007}, author = {Athawale, Anjali A. and Chandwadkar, Asha J. and Karandikar, Prashant R. and Bapat, Malini S.} } @article { ISI:000232337800013, title = {R\&D spending patterns of global firms}, journal = {Research-Technology Management}, volume = {48}, number = {5}, year = {2005}, month = {SEP}, pages = {51-59}, publisher = {INDUSTRIAL RESEARCH INST INC}, type = {Article}, address = {1550 M ST., NW, WASHINGTON, DC 20005 USA}, abstract = {

R\&D spending by the top 320 companies in 2004 was US\$ 331 billion. The R\&D intensity of these globalfirms has decreased marginally, as there was a decrease in R\&D spending by pharmaceutical firms. R\&D spending as a percentage of sales is the highest in the biotechnology industry followed by pharmaceuticals and network communications. At the same time, more firms are seeking to acquire intellectual assets from external sources. Managing intellectual assets will require competence to integrate external and internal knowledge assets so that innovation efficiency can go up while idea-to-market time goes down and product pipelines get richer.

}, keywords = {distributed innovation, globalization, R\&D spending}, issn = {0895-6308}, author = {Bowonder, B. and Racherla, J. K. and Mastakar, N. V. and Krishnan, S.} } @article {42472, title = {Reaction of diaryl-1,2-diones with triphenylphosphine and diethyl azodicarboxylate leading to N, N-dicarboethoxy monohydrazones via a novel rearrangement}, journal = {Organic Letters}, volume = {7}, year = {2005}, month = {MAY}, pages = {2121{\textendash}2123}, abstract = {

A mechanistically novel reaction of diaryl-1,2-diones with diethyl azodicarboxylate and triphenylphosphine to afford N,N-dicarboethoxy monohydrazones is described. The reaction proceeds via a nitrogen to nitrogen migration of a carboethoxy group.

}, doi = {10.1021/ol050403+}, author = {Nair, Vijay and Biju, Akkattu T. and Abhilash, K. G. and Menon, Rajeev S. and Eringathodi, Suresh} } @article {42473, title = {Reaction of huisgen zwitterion with 1,2-benzoquinones and isatins: expeditious synthesis of dihydro-1,2,3-benzoxadiazoles and spirooxadiazolines}, journal = {Organic Letters}, volume = {7}, year = {2005}, month = {OCT}, pages = {5139{\textendash}5142}, type = {Article}, abstract = {

The zwitterionic intermediate generated from dialkyl azodicarboxylate and triphenylphosphine on reaction with 3-methoxy-1,2-benzoquinones afforded dihydro-1,2,3-benzoxadiazoles. N-Substituted isatins furnished spirooxadiazolines under similar conditions.

}, doi = {10.1021/ol051956n}, author = {Nair, Vijay and Biju, Akkattu T. and Vinod, A. V. and Eringathodi, Suresh} } @article { ISI:000230909100041, title = {Self-assembly with degenerate prototropy}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {16}, year = {2005}, month = {AUG}, pages = {6461-6467}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

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

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

}, keywords = {phenol, Silicotungstic acid, tert-butylation, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.021}, author = {Devassy, Biju M. and Shanbhag, G. V. and Mirajkar, Subhash P. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000227321500008, title = {Simple oxalate precursor route for the preparation of barium-strontium titanate: Ba1-xSrxTiO3 powders}, journal = {Materials Characterization}, volume = {54}, number = {1}, year = {2005}, month = {JAN}, pages = {63-74}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, permittivity, XRF}, issn = {1044-5803}, doi = {10.1016/j.matchar.2004.11.002}, author = {Khollam, Y. B. and Deshpande, S. B. and Potdar, H. S. and Bhoraskar, S. V. and Sainkar, S. R. and Date, Sadgopal K.} } @article { ISI:000226614200005, title = {Solvent-adaptable silver nanoparticles}, journal = {Langmuir}, volume = {21}, number = {3}, year = {2005}, month = {FEB}, pages = {822-826}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la047707+}, author = {Bhagavatula L. V. Prasad and Arumugam, S. K. and Bala, Tanushree and Sastry, M.} } @article { ISI:000231294400029, title = {Stereospecific route to 5,11-methanomorphanthridine alkaloids via intramolecular 1,3-dipolar cycloaddition of nonstabilized azomethine ylide: Formal total synthesis of (+/-)-pancracine}, journal = {Organic Letters}, volume = {7}, number = {17}, year = {2005}, month = {AUG}, pages = {3713-3716}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1523-7060}, doi = {10.1021/ol051321o}, author = {Pandey, Ganesh and Banerjee, Prabal and Kumar, Ravindra and Puranik, Vedavati G.} } @article { ISI:000228607400011, title = {Sulfonate protecting groups. synthesis of O- and C-methylated inositols: D- and L-ononitol, D- and L-laminitol, mytilitol and scyllo-inositol methyl ether}, journal = {Tetrahedron}, volume = {61}, number = {18}, year = {2005}, month = {MAY}, pages = {4437-4446}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Cyclitol, Inositol, Orthoester, Protecting group, sulfonate}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.02.073}, author = {Sarmah, M. P. and Shashidhar, M. S. and Sureshan, K. M. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000232341900001, title = {Surface disorder in c-Si induced by swift heavy ions}, journal = {Radiation Effects and Defects in Solids}, volume = {160}, number = {6}, year = {2005}, month = {JUN}, pages = {207-218}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

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

}, keywords = {AFM, crystalline silicon, ion irradiation, optical and X-ray reflectivity, Raman, XRD}, issn = {1042-0150}, doi = {10.1080/10420150500275288}, author = {Bogle, Kashinath A. and Gokhale, Suresh P. and Bhoraskar, Vasant N.} } @article { ISI:000226567700007, title = {Synthesis and characterization of ferrocenylchalcogenopropargyl complexes [Fe(eta(5)-(C5H4ECH2C)-C-I CH)(2)] (E-I = Se, S) and their reactions to form unusual ferrocenyl-containing metal clusters with eclipsed Cp rings and new five-membered (FeECH)-C-I =}, journal = {Organometallics}, volume = {24}, number = {3}, year = {2005}, month = {JAN}, pages = {367-372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

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

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

}, issn = {0022-3263}, doi = {10.1021/jo050689w}, author = {Sengupta, J. and Mukhopadhyay, R. and Bhattacharjya, A. and Bhadbhade, Mohan M. and Bhosekar, Gaurav V.} } @article { ISI:000234350400019, title = {Synthesis and swelling behaviour of hydrophobically modified responsive polymers in dilute aqueous solutions}, journal = {Polymer}, volume = {46}, number = {26}, year = {2005}, month = {DEC}, pages = {12190-12199}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {associating polymers, poly(acrylic acid), viscometry}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.10.140}, author = {Iyer, N. P. and Hourdet, Dominique and Badiger, Manohar V. and Chassenieux, Christophe and Perrin, P. and Wadgaonkar, P.} } @article { ISI:000231359100007, title = {Synthesis, characterization, and performance evaluation of polymeric HALS in ethylene-propylene-diene terpolymer (EPDM)}, journal = {Journal of Macromolecular Science, Part A: Pure and Applied Chemistry }, volume = {A42}, number = {8}, year = {2005}, month = {AUG}, pages = {1037-1046}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

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

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

}, keywords = {Cr-Ti/MCM-41, Cr/SiO2-TiO2, eosin, photo degradation, visible light}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.09.055}, author = {Awate, S. V. and Jacob, Nalini E. and Deshpande, Suvarna S. and Gaydhankar, T. R. and Belhekar, Anagha A.} } @article { ISI:000232347900014, title = {Synthesis of chromium substituted nano particles of cobalt zinc ferrites by coprecipitation}, journal = {Materials Letters}, volume = {59}, number = {27}, year = {2005}, month = {NOV}, pages = {3402-3405}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Co0.5Zn0.5Fe2O4, Mossbauer spectroscopy, nano materials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.06.004}, author = {Sharma, R. K. and Suwalka, O. and Lakshmi, N. and Venugopalan, K. and Banerjee, Abhik and Joy, Pattayil Alias} } @article { ISI:000232129900020, title = {Synthesis of gold nanospheres and nanotriangles by the Turkevich approach}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {10}, year = {2005}, month = {OCT}, pages = {1721-1727}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

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

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

}, issn = {0959-9428}, doi = {10.1039/b510398c}, author = {Singh, A. V. and Bandgar, B. M. and Kasture, Manasi and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000230389700024, title = {Synthesis of linear alkyl benzenes over zirconia-supported 12-molybdophosphoric acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {162-167}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {12-molybdophosphoric acid, benzene alkylation, linear alkyl benzene, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.033}, author = {Devassy, Biju M. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article {43221, title = {Synthesis of small cyclic peptides constrained with 3-(3-aminomethylphenyl)propionic acid linkers using free radical-mediated macrocyclization}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {AUG}, pages = {5207-5210}, abstract = {In this letter, we report that small peptides (di- and tri-) having a 3-bromobenzyl group at the C-termini and an acryloyl group at the N-termini undergo an efficient Bu3SnH-AlBN mediated intramolecular free radical cyclization to afford cyclic peptides in good yields. We also propose that these cyclizations are occurring via a pre-organized acyclic structure dictated by a reverse turn (gamma/beta-turn). (c) 2005 Published by Elsevier Ltd.}, doi = {10.1016/j.tetlet.2005.05.115}, author = {Balraju, V. and Reddy, D. Srinivasa and Periasamy, M. and Iqbal, Javed} } @article { ISI:000231253000015, title = {Synthesis of substituted tetrahydro-1H-xanthen-1-ones and xanthenes}, journal = {Journal of Chemical Research }, number = {7}, year = {2005}, month = {JUL}, pages = {454-456}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

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

}, keywords = {balanol, diarylmethanes, tetrahydro-1H-xanthen-1-ones, Xanthenes}, issn = {0308-2342}, author = {Patil, M. L. and Borate, Hanumant B.} } @article { ISI:000227960800029, title = {Thermal, magnetic and spectral studies of metal-quinone complexes Part III. radical coordination and hydrogen bonding mediated exchange interaction in copper-hydroxyquinone complex}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {79}, number = {3}, year = {2005}, month = {FEB}, pages = {669-675}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {antiferromagnetic coupling, copper complexes, Lawsone, model complexes, quinones, triplet state}, issn = {1388-6150}, author = {Salunke-Gawali, S. and Rane, S. Y. and Boukheddaden, K. and Codjovi, E. and Linares, J. and Varret, F. and Bakare, P. P.} } @article { ISI:000232218700049, title = {Thermoreversible behavior of associating polymer solutions: thermothinning versus thermothickening}, journal = {Macromolecules}, volume = {38}, number = {20}, year = {2005}, month = {OCT}, pages = {8512-8521}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0024-9297}, doi = {10.1021/ma050786r}, author = {Hourdet, Dominique and Gadgil, Jayant and Podhajecka, K. and Badiger, Manohar V. and Brulet, A. and Wadgaonkar, P. P.} } @article { ISI:000229066500020, title = {Transesterification of diethyl oxalate with phenol using MoO3/SiO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {285}, number = {1-2}, year = {2005}, month = {MAY}, pages = {190-195}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transesterification of diethyl oxalate (DEO) with phenol to form diphenyl oxalate (DPO) has been carried out in liquid phase using MoO3/ SiO2 solid acid catalyst with high conversion and 100\% selectivity. A series Of MoO3/SiO2 catalysts with different Mo loadings (1-20 wt\%) were prepared using sol-gel technique and characterized using X-ray diffraction analysis (XRD), BET specific surface area, temperature-programmed desorption (TPD) of ammonia, and FTIR spectroscopic analysis of adsorbed pyridine. XRD analysis revealed the amorphous nature of the catalyst up to 10 wt\% MoO3 loading and the formation of crystalline α-MoO3 phase on amorphous silica support with higher MoO3 loading. BET surface area showed high surface area for catalysts prepared by sol-gel technique with lower MoO3 content; the surface area decreases with increasing MoO3 loading. Ammonia TPD shows much higher acid strength compared to the catalysts prepared by impregnation technique. Among the series of catalysts prepared, MoO3/SiO2 containing 1 wt\% MoO3 was found to be the most active catalyst for transesterification reaction, with a maximum DEO conversion of 80.9 and 100\% selectivity for DPO. The effects of reaction temperature and catalyst concentration on conversion and product selectivity have been investigated. {\textcopyright} 2005 Elsevier B.V. All rights reserved.

}, keywords = {diethyl oxalate, diphenyl oxalate, MoO3/SiO2, sol-gel technique, transesterification}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.02.028}, author = {Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000231367700009, title = {Transparent chiral polymers for optical applications}, journal = {Journal of Applied Polymer Science}, volume = {98}, number = {1}, year = {2005}, month = {OCT}, pages = {58-65}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Optically active chiral polymers and copolymers of cholesteryl methacrylate have been studied for use in optical applications including plastic optical fibers. Homopolymers of chiral cholesteryl methacrylate with differing molecular weights and copolymers with methyl methacrylate were synthesized by free-radical copolymerization in tetrahydrofuran using azobisisobutyronitrile at 67 degrees C for 26 h. All polymers were characterized for molecular weight, glass-transition temperature, optical rotation, transparency, and refractive index and solution blended to test for compatibility with poly(methyl methacrylate). Such chiral materials are of particular interest because they offer useful polarization properties without requiring bulk orientation of the molecules. This makes it possible to produce low cost optical elements such as circularly birefringent or circularly polarizing optical elements with potential applications in polarization manipulations and sensing. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {chiral, cholesteryl methacrylate, optically active, plastic optical fiber, poly(cholesteryl methacrylate), poly(cholesteryl methacrylate-co-methyl methacrylate)}, issn = {0021-8995}, doi = {10.1002/app.21983}, author = {Pujari, N. S. and Kulkarni, M. R. and Large, M. C. J. and Bassett, I. M. and Ponrathnam, S.} } @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:000226929600009, title = {Vapour phase oxidation of acetophenone to benzoic acid over binary oxides of V and Mo}, journal = {Chemical Engineering Research and Design}, volume = {83}, number = {A1}, year = {2005}, month = {JAN}, pages = {75-80}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Test data for catalytic oxidation of acetophenone into benzoic acid performed at bench scale with V2O5-MoO3 catalyst in a continuous downflow metal reactor are presented. The process parameters such as temperature and flow rate influence the product distribution. The P2O5, B2O3 and Na2O when used as dopant on V2O5-MoO3 catalyst showed marked influence on activity and selectivity. An acidic catalyst like V2O5-MoO3-P2O5 favours formation of benzoic acid while a basic catalyst like V2O5-MoO3-Na2O favours formation of benzaldehyde. The addition of Na2O into V2O5-MoO3 binary oxides formed new phases (NaVMoO6 and Na2V2Mo3O15), which increased Arrhenius activation energy from 18.24 to 31.35 kcal mol(-1).

}, keywords = {acetophenone, activity, benzoic acid, carbon oxides, oxidation of acetophenone, selectivity}, issn = {0263-8762}, doi = {10.1205/cherd.03206}, author = {Chumbhale, Vilas R. and Paradhy, S. A. and Anilkumar, Mettu and Kadam, S. T. and Bokade, Vijay V.} } @article { ISI:000234811400003, title = {Who patented what in 2004}, journal = {Research-Technology Management}, volume = {48}, number = {3}, year = {2005}, month = {MAY}, pages = {7-11}, publisher = {INDUSTRIAL RESEARCH INSTITUTE, INC}, type = {Editorial Material}, address = {2200 CLARENDON BLVD, STE 1102, ARLINGTON, VA 22201 USA}, issn = {0895-6308}, author = {Bowonder, B. and Krishnan, S. and Mastakar, N. V.} } @article { ISI:000227845200016, title = {Zirconia-supported phosphotungstic acid as catalyst for alkylation of phenol with benzyl alcohol}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {230}, number = {1-2}, year = {2005}, month = {APR}, pages = {113-119}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Benzylation, phenol, Phosphotungstic acid, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.12.028}, author = {Devassy, Biju M. and Shanbhag, G. V. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000238171600014, title = {[6+3] cycloaddition of pentafulvenes with 3-oxidopyrylium betaine: a novel methodology toward the synthesis of 5-8 fused oxabridged cyclooctanoids}, journal = {Tetrahedron}, volume = {62}, number = {25}, year = {2006}, month = {JUN}, pages = {5952-5961}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {fulvenes, oxabridged cyclooctanoids, oxidopyrylium betaine, [6+3] cycloaddition}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.04.017}, author = {Krishnan, K. Syam and Sajisha, V. S. and Anas, S. and Suresh, C. H. and Bhadbhade, Mohan M. and Bhosekar, Gaurav V. and Radhakrishnan, K. V.} } @article { ISI:000242601100010, title = {Assembly of phase transferred nickel nanoparticles at air-water interface using Langmuir-Blodgett technique}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {12}, year = {2006}, month = {DEC}, pages = {3736-3745}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {assembly, Langmuir-Blodgett technique, Ni nanoparticles, Phase transfer}, issn = {1533-4880}, doi = {10.1166/jnn.2006.615}, author = {Bala, Tanushree and Joshi, Bhagyashree and Iyer, Neelima and Sastry, Murali and Bhagavatula L. V. Prasad} } @article {42761, title = {Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins}, journal = {Dalton Transactions}, year = {2006}, month = {NOV}, pages = {1322-1330}, type = {Article}, abstract = {

Transition metal complexes of bis(2-diphenylphosphinoxynaphthalen-1-yl)methane (1) are described. Bis(phosphinite) 1 reacts with Group 6 metal carbonyls, [Rh(CO)2Cl]2, anhydrous NiCl2, [Pd(C3H5)Cl]2/AgBF4 and Pt(COD)I2 to give the corresponding 10-membered chelate complexes 2, 3 and 5{\textendash}8. Reaction of 1 with [Rh(COD)Cl]2 in the presence of AgBF4 affords a cationic complex, [Rh(COD){Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}]BF4 (4). Treatment of 1 with AuCl(SMe2) gives mononuclear chelate complex, [(AuCl){Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}] (9) as well as a binuclear complex, [Au(Cl){{\textmu}-Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}AuCl] (10) with ligand 1 exhibiting both chelating and bridged bidentate modes of coordination respectively. The molecular structures of 2, 6, 7, 9 and 10 are determined by X-ray studies. The mixture of Pd(OAc)2 and 1 effectively catalyzes Suzuki cross-coupling reactions of a range of aryl halides with aryl boronic acid in MeOH at room temperature or at 60 {\textdegree}C, giving generally high yields even under low catalytic loads. The cationic rhodium(I) complex, [Rh(COD){Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}]BF4 (4) catalyzes the hydrogenation of styrenes to afford the corresponding alkyl benzenes in THF at room temperature or at 70 {\textdegree}C with excellent turnover frequencies.

}, doi = {10.1039/b510589g}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000239671800023, title = {Cobalt-containing hexagonal mesoporous molecular sieves (Co-HMS): Synthesis, characterization and catalytic activity in the oxidation reaction of ethylbenzene}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {255}, number = {1-2}, year = {2006}, month = {AUG}, pages = {123-130}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Co-HMS, ethylbenzene, HMS, hydrothermal, Oxidation}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.03.072}, author = {Bhoware, Shrikant S. and Shylesh, S. and Kamble, K. R. and Singh, A. P.} } @article { ISI: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:000242285000001, title = {Comparative assessment of downstream processing options for lactic acid}, journal = {Separation and Purification Technology}, volume = {52}, number = {1}, year = {2006}, month = {NOV}, pages = {1-17}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The possibility of manufacturing a biodegradable polymer from lactic acid has led to extensive research in recovery of lactic acid produced by fermentation, by different downstream processing routes. This paper assesses the suitability of different downstream processing options such as reactive extraction, adsorption, electrodialysis, esterification and reactive distillation. It compares the costs of different process routes. The assessment indicates that the conventional precipitation of calcium lactate, followed by acidification, esterification and hydrolysis will be the most economical route although it generates large quantity of gypsum sludge. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, electrodialysis, Esterification, Lactic acid, Reactive distillation, reactive extraction}, issn = {1383-5866}, doi = {10.1016/j.seppur.2006.03.015}, author = {Joglekar, H. G. and Rahman, Imran and Babu, Suresh and Kulkarni, B. D. and Joshi, Ajit} } @article { ISI:000241906100003, title = {Construction of enantiopure pyrrolidine ring system via asymmetric [3+2]-cycloaddition of azomethine ylides}, journal = {Chemical Reviews}, volume = {106}, number = {11}, year = {2006}, month = {NOV}, pages = {4484-4517}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0009-2665}, doi = {10.1021/cr050011g}, author = {Pandey, Ganesh and Banerjee, Prabal and Gadre, Smita R.} } @article { ISI:000236438200026, title = {Cu(I)-catalyzed cycloaddition of constrained azido-alkynes: access to 12- to 17-membered monomeric triazolophanes incorporating furanoside rings}, journal = {Tetrahedron Letters}, volume = {47}, number = {16}, year = {2006}, month = {APR}, pages = {2775-2778}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A strained monomeric 12-membered triazolophane was formed by the Cu(I)-catalyzed intramolecular cycloaddition of an azide to an alkyne having a constrained tether incorporating ail aromatic ring and a furanoside ring. Similar cycloadditions of azido-alkynes having ester, furanoside and peptidic tethers led to the formation of monomeric triazolophanes of higher ring sizes. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.02.068}, author = {Ray, A. and Manoj, Kochunnoonny and Bhadbhade, Mohan M. and Mukhopadhyay, R. and Bhattacharjya, A.} } @article {42756, title = {Derivatisation and transition metal chemistry of a new monophosphinite ligand: 2-(diphenylphosphinoxy)naphthyl}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {45}, year = {2006}, month = {JUN}, pages = {1390-1394}, type = {Article}, abstract = {

Reaction of monophosphinite ligand, 2-(diphenylphosphinoxy) naphthyl, C10H7PPh2 (1) with elemental sulphur or selenium gives the corresponding sulphide C10H7OP(S)Ph2 (2) or selenide C10H7OP(Se)ph2 (3) derivatives. Reaction of 1 with [CpRu(PPh3)2Cl] gives monosubstituted complex, [CpRu(C10H7OPPh2)(PPh3)C1] (4) as well as the disubstituted complex. [CpRu(C10H7PPh2)2Cl] (5) depending upon the reaction conditions. Treatment of 1 with [Rh(CO)2Cl]2 affords a trans-complex, [Rh(CO)(C10H7PPh2Cl] (6). Reaction of 1 with [Pd(COD)Cl2] results in the formation of an unexpected chlorobridged dipalladium complex: [Pd (PPh2O)( PPh2OH)(μ-Cl)]2 (7), whereas similar reaction with [pt(COD)Cl2] gives cis-[Pt(C10H7PPh2)2Cl2] (8) in good yield.

}, author = {Punji, Benudhar and Balakrishna, Maravanji S.} } @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 {42469, title = {DMAP-catalyzed reaction of beta-ketoesters and dimethyl acetylenedicarboxylate: an efficient synthesis of polysubstituted benzenes and biaryls}, journal = {Tetrahedron}, volume = {62}, year = {2006}, month = {SEP}, pages = {10136{\textendash}10140}, type = {Article}, abstract = {

A DMAP catalyzed tandem addition{\textendash}cyclization{\textendash}dehydration sequence involving dimethyl acetylenedicarboxylate and β-ketoesters leading to polysubstituted benzene/biaryl derivatives is presented.

}, doi = {10.1016/j.tet.2006.08.031}, author = {Nair, Vijay and Vidya, N. and Biju, Akkattu T. and Deepthi, Ani B. and Abhilash, K. G. and Eringathodi, Suresh} } @article { ISI:000242598200030, title = {Effect of a focusing electric field on the formation of arc generated carbon nanotubes}, journal = {Nanotechnology}, volume = {17}, number = {23}, year = {2006}, month = {DEC}, pages = {5895-5902}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

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

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/23/030}, author = {Karmakar, Soumen and Nagar, Harshada and Pasricha, R. and Seth, T. and Sathe, V. G. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000238491100062, title = {Effect of calcination cycles on the preparation of tin oxide based traditional drug: studies on its formation and characterization}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {41}, number = {4}, year = {2006}, month = {JUN}, pages = {1473-1478}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {calcination cycles, Oxidation, oxidation state of tin, Particle size, tin oxide, vanga bhasma}, issn = {0731-7085}, doi = {10.1016/j.jpba.2006.03.032}, author = {Wadekar, M. P. and Rode, C. V. and Bendale, Y. N. and Patil, K. R. and Gaikwad, A. B. and Prabhune, Asmita} } @article { ISI:000240781100009, title = {Effect of spacer groups on the performance of MCM-41-supported platinum cluster-derived hydrogenation catalysts}, journal = {Journal of Catalysis}, volume = {242}, number = {2}, year = {2006}, month = {SEP}, pages = {332-339}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {functionalized inorganic oxides, hydrogenation catalysts, MCM-41, platinum carbonyl cluster, Solid-state NMR, spacer groups, XPS}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.06.016}, author = {Maity, Niladri and Basu, Susmit and Mapa, Maitri and Rajamohanan, Pattuparambil R. and Ganapathy, Subramanian and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000235860500014, title = {Electron beam induced surface cross-linking of functional monomers coated on silicon substrate}, journal = {Materials Letters}, volume = {60}, number = {11}, year = {2006}, month = {MAY}, pages = {1360-1365}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {electron beam irradiation, FTIR, Polymers, surface modification, XPS}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.029}, author = {Mahapatra, S. K. and Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A. and Bhoraskar, Vasant N.} } @article {42468, title = {Engaging zwitterions in carbon-carbon and carbon-nitrogen bond- forming reactions: a promising synthetic strategy}, journal = {Accounts of Chemical Research}, volume = {39}, year = {2006}, month = {JUN}, pages = {520{\textendash}530}, type = {Article}, abstract = {

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

}, doi = {10.1021/ar0502026}, author = {Nair, Vijay and Menon, Rajeev S. and Sreekanth, A. R. and Abhilash, N. and Biju, Akkattu T.} } @article { ISI:000236770900036, title = {Enhanced magnetostrictive properties of Mn substituted cobalt ferrite Co1.2Fe1.8O4}, journal = {Journal of Applied Physics}, volume = {99}, number = {7}, year = {2006}, month = {APR}, pages = {Article No. 107901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The effect of substitution of Fe and Co by Mn on the magnetostrictive properties of the cobalt ferrite Co1.2Fe1.8O4 has been studied and compared. The studies on Co1.2-xMnxFe1.8O4 and Co1.2Fe1.8-xMnxO4 (0 \<= x \<= 0.4) showed a marked dependence of magnetostriction on the substitution of both Fe and Co by Mn. Higher magnetostriction is obtained for the substitution of Co by Mn whereas the magnetostriction is reduced substantially on the substitution of Fe by Mn. Higher magnetostriction at low magnetic fields and enhancement of the strain ratio have been observed for the substitution of Co by Mn. (c) 2006 American Institute of Physics.

}, issn = {0021-8979}, doi = {10.1063/1.2183356}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000239375900008, title = {Eulerian-lagrangian simulations of unsteady gas-liquid flows in bubble columns}, journal = {International Journal of Multiphase Flow }, volume = {32}, number = {7}, year = {2006}, month = {JUL}, pages = {864-885}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We studied the dynamics of gas-liquid flows in a rectangular bubble column using Eulerian-Lagrangian simulations. Three-dimensional, unsteady simulations were performed to simulate the dynamic characteristics of the oscillating bubble plume. The effect of superficial gas velocity and aerated liquid height-to-column width (HI K) ratio on the dynamic and time-averaged flow properties was studied and the simulated results were validated using wall pressure and voidage fluctuation measurements. The effect of lift force and numerical diffusion on the dynamic and time-averaged properties is discussed in detail. Further, the results obtained using the Eulerian-Lagrangian simulations were compared with the Eulerian-Eulerian simulations. The bubble scale information, which is otherwise lost in the Eulerian-Eulerian simulations, was validated using the voidage fluctuation measurements. Such experimentally validated Eulerian-Lagrangian models will be useful for the simulation of mass transfer and reactions in bubble columns. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Bubble column, CFD, Dynamics, Eulerian-Eulerian simulations, Eulerian-Lagrangian simulations, gas-liquid flow}, issn = {0301-9322}, doi = {10.1016/j.ijmultiphaseflow.2006.02.017}, author = {Buwa, Vivek V. and Deo, Dhanannjay S. and Ranade, Vivek V.} } @article { ISI:000238250300028, title = {Field emission studies of novel ZnO nanostructures in high and low field regions}, journal = {Nanotechnology}, volume = {17}, number = {11}, year = {2006}, month = {JUN}, pages = {2730-2735}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

A study of the field emission characteristics of novel structures of ZnO, namely marigolds, multipods and microbelts, has been carried out in both the close proximity configuration and the conventional field emission microscope. The use of a conventional field emission microscope overcomes the drawback of arc formation at high field values. The nonlinearity in the Fowler - Nordheim ( F - N) plot, a characteristic feature of semiconductors has been observed and explained on the basis of electron emission from both the conduction and the valence bands. The current stability exhibited by these structures is also promising for future device applications.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/11/003}, author = {Ramgir, Niranjan S. and Late, Dattatray J. and Bhise, Ashok B. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S. and Pillai, Vijayamohanan K.} } @article { ISI:000241519600041, title = {Fungus-mediated biotransformation of amorphous silica in rice husk to nanocrystalline silica}, journal = {Journal of American Chemical Society}, volume = {128}, number = {43}, year = {2006}, month = {NOV}, pages = {14059-14066}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0002-7863}, doi = {10.1021/ja062113+}, author = {Bansal, Vipul and Ahmad, Absar and Sastry, Murali} } @article { ISI:000244926000019, title = {Genetic diversity analysis in Gaultheria fragrantissima wall. (Ericaceae) from the two biodiversity hotspots in India using ISSR markers}, journal = {Current Science}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {1634-1640}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Gaultheria fragrantissima, Genetic diversity, heterozygosity, ISSR markers}, issn = {0011-3891}, author = {Apte, G. S. and Bahulikar, R. A. and Kulkarni, R. S. and Lagu, Meena D. and Kulkarni, B. G. and Suresh, H. S. and Rao, P. S. N. and Gupta, V. S.} } @article {Kaliaperumal, title = {Harvesting chemical information from the Internet using a distributed approach: chemxtreme}, journal = {Journal of Chemical Information and Modeling}, volume = {46}, number = {2}, year = {2006}, note = {7th International Conference on Chemical Structures, Noordwijkerhout, NETHERLANDS, JUN 05-09, 2005}, month = {MAR}, pages = {452-461}, publisher = {ASC, CINF; CSA Trust; CSJ; GDCh; KNCV}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{The Internet is a comprehensive resource of chemical information which is at the same time largely unstructured. It provides a wealth of scientific information such as experimental data and requires a suitable automated data mining and analysis tool for its meaningful exploration. The Java based software presented here, ChemXtreme, is developed for harvesting chemical information from the Internet employing the Google API in combination with a distributed client/server text analysis architecture based on JavaRMI. It represents the first and until now the only toolkit for automated structured data retrieval from the Internet which is itself open source. ChemXtreme employs the {\textquoteleft}{\textquoteleft}search the search engine{\textquoteright}{\textquoteright}

}, keywords = {calcination, clinker, one-dimensional model, rotary cement kiln}, issn = {0887-0624}, doi = {10.1021/ci050329+}, author = {Karthikeyan, Muthukumarasamy and Krishnan, S. and Pandey, A. K. and Bender, Andreas} } @article {43267, title = {High-throughput screening of RNA polymerase inhibitors using a fluorescent UTP analog}, journal = {Journal of Biomolecular Screening}, volume = {11}, year = {2006}, month = {DEC}, pages = {968-976}, abstract = {

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

}, author = {Bhat, Jyothi and Rane, Rajendra and Solapure, Suresh M. and Sarkar, Dhiman and Sharma, Umender and Harish, M. N. and Lamb, Sarah and Plant, Darren and Alcock, Peter and Peters, Steve and Barde, Shubhada and Roy, Raman K.} } @article { ISI: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: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:000238989300008, title = {Irradiation effects of 12 eV oxygen ions on polyimide and fluorinated ethylene propylene}, journal = {Radiation Effects and Defects in Solids}, volume = {161}, number = {8}, year = {2006}, month = {AUG}, pages = {495-504}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Polyimide (PI) and Fluorinated Ethylene Propylene (FEP) samples (15mm x 15mm x 50 mu m ) were exposed to atomic oxygen ions of average energy similar to 12 eV and flux similar to 5x10(13) ions cm(-2) s(-1) , produced in the Electron Cyclotron Resonance (ECR) plasma. The energy and the flux of the oxygen ions at different positions in the plasma were measured by a retarding field analyzer. The fluence of the oxygen ions was varied from sample to sample in the range of similar to 5x10(16) to 2x10(17) ions cm(-2) by changing the irradiation period. The pre- and the post-irradiated samples were characterized by the weight loss, Scanning Electron Microscopy (SEM), X-ray Photoelectron Spectroscopy (XPS), and Fourier Transform Infrared (FTIR) techniques. The weight of the PI and FEP samples decreased with increasing the ion fluence. However, the erosion yield for the PI is found to be higher, by almost a factor five, when compared with that of FEP. On the surface region of irradiated samples, the concentrations of the carbon, fluorine, and oxygen and their corresponding chemical bonds have changed appreciably. Moreover, blisters and nanoglobules were also observed even at a fluence of similar to 10(17) ions cm(-2) . This oxygen ion fluence is almost two orders of magnitude lower than that of the 5 eV atomic oxygen, which a satellite encounters in the space, at the low Earth orbit, during its mission period of about 7 years.

}, keywords = {atomic oxygen, ECR plasma, FEP, FTIR, Polyimide, SEM, weight loss, XPS}, issn = {1042-0150}, doi = {10.1080/10420150600810224}, author = {Majeed, Riyadh M A Abdul and Purohit, V. S. and Bhoraskar, S. V. and Mandale, A. B. and Bhoraskar, Vasant N.} } @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:000239793100088, title = {La0.7Sr0.3MnO3 nanoparticles coated with fatty amine}, journal = {Applied Physics Letters}, volume = {89}, number = {2}, year = {2006}, month = {JUL}, pages = {Article No. 023107}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

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

}, issn = {0003-6951}, doi = {10.1063/1.2210080}, author = {Rajagopal, Rajashree and Mona, J. and Kale, Sangeeta N. and Bala, Tanushree and Pasricha, Rem and Poddar, P. and Sastry, M. and Bhagavatula L. V. Prasad and Kundaliya, Darshan C. and Ogale, S. B.} } @article { ISI:000238717900020, title = {Magnetic properties of NiCuZn ferrites synthesized by oxalate precursor method}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {305}, number = {1}, year = {2006}, month = {OCT}, pages = {110-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {asymmetric/non-asymmetric catalysis, Enantioselectivity, functionalized MCM-41, hydrogenation catalysts, platinum carbonyl cluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.01.032}, author = {Basu, Susmit and Mapa, Maitri and Gopinath, Chinnakonda S. and Doble, Mukesh and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000236648300008, title = {Mesoporous molecular sieve (MCM-41)-filled sodium alginate hybrid nanocomposite membranes for pervaporation separation of water-isopropanol mixtures}, journal = {Separation of Purification Technology}, volume = {49}, number = {1}, year = {2006}, month = {APR}, pages = {56-63}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {flux and selectivity, nanocomposite membranes, pervaporation, sodium alginate, water-isopropanol}, issn = {1383-5866}, doi = {10.1016/j.seppur.2005.08.006}, author = {Bhat, S. D. and Naidu, B. V. K. and Shanbhag, G. and Halligudi, Shivaraj B. and Sairam, M. and Aminabhavi, Tejraj M.} } @article { ISI:000236901300003, title = {Micellar behavior of dodecyldimethylethyl ammonium bromide and dodecyltrimethyl ammonium chloride in aqueous media in the presence of diclofenac sodium}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {278}, number = {1-3}, year = {2006}, month = {APR}, pages = {17-25}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The micellar properties of cationic surfactants (S) viz. dodecyldimethylethyl ammonium bromide (DDAB) and dodecyltrimethylammonium chloride (DTAC) in aqueous media in the presence of diclofenac sodium (D) have been investigated by spectroscopic and conductivity measurements. The UV-vis and H-1 NMR studies suggest possible packing of diclofenac sodiurn molecules in the micelles. The conductivity studies were carried out over the temperature range 288.15-308.15 K. The critical micelle concentration (cmc) and degree of counterion binding (beta) of the micelles were determined at different temperatures. Delay in micellisation was observed for both DDAB and DTAC. Thermodynamic parameters (Delta G(m)(0) Delta H-m(0) and Delta S-m(0).) for the micelle system were estimated by applying the charged pseudo-phase separation model. The results of the ternary S/D/W system were analysed in comparison with the reported results of binary SAV system. The Delta G(m)(0) values for the ternary S/D/W system in both the cases show an increase in comparison to the respective binary SAV system. However, Delta S-m(0) decreased with temperature and remained positive in both the systems. At lower temperatures, the micellisation was found to be entropy-driven while at higher temperatures it was enthalpy-dfiven. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {diclofenac sodium, dodecyldimethylethylammonium bromide, dodecyltrimethylammoniurn chloride, Electrical conductivity, spectroscopic measurements}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2005.11.071}, author = {Mehta, S. K. and Bhasin, K. K. and Kumar, Anil and Dham, S.} } @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:000240831600022, title = {Modifications in magnetic anisotropy of M-type strontium hexaferrite crystals by swift heavy ion irradiation}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {305}, number = {2}, year = {2006}, month = {OCT}, pages = {392-402}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Using vibrating sample magnetometery (VSM) 50 MeV Li(3+) ion irradiation effects on magnetic properties of single crystals of SrGa(x)In(y)Fe(12-(x+y))O(19) (where x = 0, 5, 7, 9; y = 0, 0.8, 1.3, 1.0), are reported. The substitution of Ga and In in strontium hexaferrite crystals decreases the value of magnetization sharply, which is attributed to shifting of collinear magnetic order to a non-collinear one. Reduction of magnetization is also explained to be as a result of the occupation of the crystallographic sites of Fe(3+) by Ga(3+) and In(3+). The Li(3+) ion irradiation decreases the value of magnetization, irrespective of whether the crystals are Ga-In substituted or unsubstituted crystals of SrFe(12)O(19). The result is interpreted in terms of the occurrence of a paramagnetic doublet in crystals replacing magnetic sextuplet as a result of irradiation. Substitution of Ga-In in Strontium hexaferrite decreases the value of anisotropy constant. Irradiation with Li(3+) ions increases the values of anisotropy field for both substituted as well as unsubstituted crystals. Substitution with Ga-In also decreases the Curie temperature (T(c)) but the irradiation with Li(3+) ions does not affect the curie temperature of either Ga-In substituted or pure SrFe(12)O(19) crystals. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {anisotropy field, Curie temperature, irradiation, Magnetic anisotropy, Magnetization}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2006.01.110}, author = {Kaur, Balwinder and Bhat, Monita and Licci, F. and Kumar, Ravi and Kulkarni, S. D. and Joy, Pattayil Alias and Bamzai, K. K. and Kotru, P. N.} } @article { ISI:000242621800023, title = {Molecular interactions between the specialist herbivore Manduca sexta (Lepidoptera, Sphingidae) and its natural host Nicotiana attenuata. VII. changes in the plant{\textquoteright}s proteome}, journal = {Plant Physiology}, volume = {142}, number = {4}, year = {2006}, month = {DEC}, pages = {1621-1641}, publisher = {AMER SOC PLANT BIOLOGISTS}, type = {Article}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {

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

}, issn = {0032-0889}, doi = {10.1104/pp.106.088781}, author = {Giri, Ashok P. and Wuensche, Hendrik and Mitra, Sirsha Sribas and Zavala, Jorge A. and Muck, Alexander and Svatos, Ales and Baldwin, Ian T.} } @article { ISI:000238624000023, title = {Negative thermal expansion in silicalite-1 and zirconium silicalite-1 having MFI structure}, journal = {Materials Research Bulletin}, volume = {41}, number = {7}, year = {2006}, month = {JUL}, pages = {1392-1402}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/10/022}, author = {Majeed, Riyadh M A Abdul and Purohit, Vishwas and Bhide, Rajesh and Mandale, A. B. and Bhoraskar, S. V. and Bhoraskar, Vasant N.} } @article {42467, title = {Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine mediated reaction of dialkyl azodicarboxylate with allenic esters}, journal = {Organic Letters}, volume = {8}, year = {2006}, month = {MAY}, pages = {2213{\textendash}2216}, type = {Article}, abstract = {

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

}, doi = {10.1021/ol0604623}, author = {Nair, Vijay and Biju, Akkattu T. and Mohanan, Kishor and Eringathodi, Suresh} } @article { ISI:000241717400014, title = {Off-site emergency scenario, a case study from a LPG bottling plant}, journal = {Journal of Loss Prevention in the Process Industries}, volume = {19}, number = {6}, year = {2006}, month = {NOV}, pages = {645-647}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

After Bhopal disaster, emergency planning in an industrial area has become inevitable. The off-site emergency plan is an integral part of any major hazard control system. Boiling Liquid Expanding Vapour Explosion (BLEVE) leads to fatal consequences. This paper highlights some salient features of the emergency scenario, which ultimately leads to fireball with enormous pressure wave all around. (C) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {BLEVE, emergency plan, LPG, off-site}, issn = {0950-4230}, doi = {10.1016/j.jlp.2006.03.003}, author = {Ruj, Biswajit and Rehman, Imranur and Bandyopadhya, A. K.} } @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:000241306300020, title = {Oxidation of ethyl benzene and diphenyl methane over ordered mesoporous M-MCM-41 (M = Ti, V, Cr): synthesis, characterization and structure-activity correlations}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {154-163}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {diphenyl methane, Ethyl benzene, MCM-41, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.018}, author = {Jha, Ratnesh Kumar and Shylesh, S. and Bhoware, Shrikant S. and Singh, A. P.} } @conference {42804, title = {Poly(High Internal Phase Emulsion) of 2-EHA, 2-EHMA and EGDA with naturally occurring phenolic compounds", paper presented at international conference on ?polymers for advanced technology}, booktitle = {Polymers for Advanced Technology}, year = {2006}, month = {DEC}, address = {National Chemical Laboratory, Pune}, author = {Ingavle, Ganesh C. and Shaikh, A. A. and Bhongale, Sunil Sitaram and Scaria, S. and Chavan, Nayaku and Qureshi, Mohammed and Ponrathnam, Surendra} } @article { ISI:000242209000043, title = {Poly(urethane methacrylate-co-glycidyl methacrylate)-supported-polypropylene biphasic membrane for lipase immobilization}, journal = {Journal of Membrane Science}, volume = {285}, number = {1-2}, year = {2006}, month = {NOV}, pages = {395-403}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polypropylene (PP) was hydrophilized by coating followed by UV curing of a blend of 2-hydroxyethyl methacrylate (HEMA) terminated polyurethane prepolymer and glycidyl methacrylate (GMA). This allows formation of a hydrophobic membrane with increased surface hydrophilicity, biocompatibility and stability. Candida rugosa lipase (CRL) was covalently immobilized on this membrane using 5\% glutaraldehyde as a crosslinking agent for post immobilization stabilization of enzyme on membrane. The membrane obtained was placed in a batch membrane reactor where a model esterification of oleic acid with octanol was studied. Under optimum conditions, the biocatalytic membrane gave a specific activity of 796.27 units/mg and 90.26\% activity yield. Moreover, there was 85. 10\% retention of specific activity. The biocatalytic membrane was observed to retain about 84.23\% of its synthetic activity after six cycles. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Candida rugosa lipase, Enzyme immobilization, membrane bioreactor, urethane methacrylate}, issn = {0376-7388}, doi = {10.1016/j.memsci.2006.09.009}, author = {Pujari, N. S. and Vaidya, Bx and Bagalkote, S. and Ponrathnam, S. and Nene, Sanjay} } @article { ISI:000235256200004, title = {Preparation of gamma-Fe2O3 nanoparticles using DC thermal arc-plasma route, their characterization and magnetic properties}, journal = {Scripta Materialia}, volume = {54}, number = {7}, year = {2006}, month = {APR}, pages = {1235-1240}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

gamma-Fe2O3 particles were prepared, for the first time, using a direct current thermal arc-plasma route. The powder was characterized using X-ray diffraction, Mossbauer spectroscopy, X-ray photoelectron spectroscopy, chemical analysis, vibrating sample magnetometry C and transmission electron microscopy. The high purity, stoichiometry and spherical morphology of the gamma-Fe2O3 particles (saturation magnetization = 79 emu g(-1) and coercivity = 348 Oe) were confirmed. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {chemical analysis, DC thermal arc-plasma route, maghemite, Mossbauer spectroscopy, XPS}, issn = {1359-6462}, doi = {10.1016/j.scriptamat.2005.12.029}, author = {Banerjee, Indrani and Khollam, Y. B. and Balasubramanian, C. and Pasricha, R. and Bakare, P. P. and Patil, K. R. and Das, A. K. and Bhoraskar, S. V.} } @article { ISI:000238443200008, title = {Production of lactic acid and fructose from media with cane sugar using mutant of Lactobacillus delbrueckii NCIM 2365}, journal = {Letters in Applied Microbiology}, volume = {43}, number = {1}, year = {2006}, month = {JUL}, pages = {53-57}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

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

}, keywords = {fructose accumulation, hydrolyzed cane sugar, lactic acid production, Lactobacillus delbrueckii, Mutant}, issn = {0266-8254}, doi = {10.1111/j.1472-765X.2006.01907.x}, author = {Patil, S. S. and Kadam, S. R. and Patil, S. S. and Bastawade, Kulbhushan B. and Khire, Jayant Malhar and Gokhale, D. V.} } @article { ISI:000237576500008, title = {Propane conversion to aromatics on highly active H-GaAlMFI: effect of thermal pretreatment}, journal = {Energy \& Fuel}, volume = {20}, number = {3}, year = {2006}, month = {MAY}, pages = {919-922}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The propane aromatization activity over H-GaAlMFI has been investigated after different thermal pretreatments ( calcination temperature range: 500- 800 degrees C) at a reaction temperature of 500 degrees C and in the space velocity range of 1500-12000 cm(3)/g/h. The calcination temperature had a strong influence on the strong acidity of the zeolite, propane conversion, and aromatic distribution. The decrease in acidity with increased thermal treatment severity correlated well with the decrease in the framework Ga. There was a considerable decrease in propane aromatization activity at calcination temperatures above 600 degrees C. The effect of calcination temperature on the propane aromatization activity can be explained in terms of change in the strong acidity of the zeolite and the extraframework Ga content. The selectivity for aromatics was found to decrease with increasing thermal pretreatment severity, while that for methane, ethane, and propylene was found to increase. The aromatic distribution was also influenced by the thermal pretreatment; the selectivity for benzene increased with increasing pretreatment temperature, while the selectivity for toluene, C-8 aromatics, and C9+ aromatics decreased.

}, issn = {0887-0624}, doi = {10.1021/ef050328j}, author = {Choudhary, Tushar V. and Kinage, A. and Banerjee, S. and Choudhary, Vasant R.} } @article { ISI:000237610600013, title = {Purification, characterization and substrate specificity of thermostable alpha-galactosidase from Bacillus stearothermophilus (NCIM-5146)}, journal = {Process Biochemistry}, volume = {41}, number = {6}, year = {2006}, month = {JUN}, pages = {1311-1317}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {alpha-galactosidase, Bacillus stearothermophilus (NCIM-5146), Purification, Secondary structure, thermostable enzyme}, issn = {1359-5113}, doi = {10.1016/j.procbio.2006.01.003}, author = {Gote, M. M. and Khan, Mohammad Islam and Gokhale, D. V. and Bastawade, Kulbhushan B. and Khire, Jayant Malhar} } @article { ISI:000238086600005, title = {Radiation assisted synthesis of nanosized barium zirconate}, journal = {Radiation Physics and Chemistry}, volume = {75}, number = {7}, year = {2006}, month = {JUL}, pages = {755-759}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This paper reports the synthesis of refractory barium zirconate using solid-state reactive precursors subjected to gamma-radiations of a Co-60 source. Influence of varying doses on the formation of cubic phase of BaZrO3 has been investigated with the stepwise analysis of the intermediate products by means of FT-IR, XRD and TGA techniques. TEM depicts the nanospherical nature of the BaZrO3 particles. (C) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Ceramics, gamma-radiation, Nanoparticles, perovskite, refractory, XRD}, issn = {0969-806X}, doi = {10.1016/j.radphyschem.2005.12.041}, author = {Athawale, Anjali A. and Chandwadkar, Asha J. and Karandikar, Prashant R. and Pasricha, R. and Bapat, Malini S.} } @article { ISI:000237725100015, title = {Regioselective nitration of cumene to 4-nitro cumene using nitric acid over solid acid catalyst}, journal = {Catalysis Communications}, volume = {7}, number = {6}, year = {2006}, month = {JUN}, pages = {394-398}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The regioselective nitration of cumene to 4-nitro cumene (4-NC) has been carried out using 70\% nitric acid over MoO3/SiO2 solid acid catalyst with high conversion (62\%) and selectivity (68\%) for 4-NC. A series of MoO3/SiO2 catalysts with different MoO3 loadings (1-20 mol\%) were prepared by sol-gel technique and characterized using different characterization techniques. XRD analysis revealed the amorphous nature of the catalyst up to 10-mol\% MoO3 loading and formation of alpha-MoO3 crystalline phase on amorphous high surface area mesoporous silica support at higher MoO3 loading. Maximum conversion and selectivity has been obtained with slower addition of nitric acid and simultaneous azeotropic removal of water formed during the reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {cumene, nitration, ring nitration, side chain nitration, solid acid catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.12.022}, author = {Mathew, Sanyo M. and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @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 { ISI:000239001900001, title = {Re-tooling Benson{\textquoteright}s group additivity method for estimation of the enthalpy of formation of free radicals: C/H and C/H/O groups}, journal = {Journal of Chemical and Engineering Data}, volume = {51}, number = {4}, year = {2006}, month = {JUL}, pages = {1169-1181}, publisher = {AMER CHEMICAL SOC}, type = {Review}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0021-9568}, doi = {10.1021/je0503960}, author = {Bhattacharya, Arijit and Shivalkar, Sagar} } @article { ISI:000241949000010, title = {Role of ligands in the formation, phase stabilization, structural and magnetic properties of alpha-Fe2O3 nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {8}, number = {5}, year = {2006}, month = {OCT}, pages = {635-643}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The electrochemical synthesis of alpha Fe2O3 nanoparticles was performed using quaternary ammonium salts viz. TPAB, TBAB and TOAB in an organic medium by optimizing current density and molar concentration of the ligand. The role of ligands in the formation of alpha phase, structure and magnetic properties was investigated in details. The effect of increasing chain length on the particle size confirmed that as the chain length increases from propyl to octyl, the particle size decreases. X-ray diffraction spectra of as prepared samples and TEM analysis confirmed the amorphous nature of iron oxide. TEM showed beads of iron oxide joined together with a size distribution in the range of 6-30 nm. The Mossbauer studies also support this observation that for the lowest particle size, the line width is broader which successively reduces with increase in particle size. Iron oxide capped with TOAB indicated superparamagnetic nature at room temperature. The resultant internal magnetic field of 506 mm/s due to hyperfine splitting clearly established the formation of alpha-Fe2O3 The infrared spectroscopy and pH measurements revealed the binding of tetra alkyl ligand with iron oxide. The IR spectra and the increase in basicity of as prepared samples confirmed the formation of hydrated iron oxide. Above 800 degrees C the spectra indicated only iron oxide. Surface area obtained by BET method was 205 m(2)/g.

}, keywords = {Alkyl chain length, alpha-Fe2O3, Electrochemistry, magnetic properties, Nanoparticles, narrow size distribution}, issn = {1388-0764}, doi = {10.1007/s11051-005-9033-x}, author = {Joshi, Satyawati S. and Patil, Prajakta R. and Nimase, Madhav S. and Bakare, P. P.} } @article { ISI:000240291900046, title = {Room-temperature biosynthesis of ferroelectric barium titanate nanoparticles}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {36}, year = {2006}, month = {SEP}, pages = {Article No. JA063011M}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0002-7863}, doi = {10.1021/ja063011m}, author = {Bansal, Vipul and Poddar, Pankaj and Ahmad, Absar and Sastry, Murali} } @article {42758, title = {Ruthenium(II), copper(I) and silver(I) complexes of large bite bisphosphinite, bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: Application of Ru(II) complexes towards the hydrogenation of styrene and phenylacetylene}, journal = {Journal of Organometallic Chemistry}, volume = {691}, year = {2006}, month = {JUL}, pages = {4265{\textendash}4272}, type = {Article}, abstract = {

Ruthenium(II), copper(I) and silver(I) complexes of large bite bisphosphinite Ph2P{(-OC10H6)(μ-CH2)(C10H6O-)}PPh2 (1) are described. Reactions of bisphosphinite 1 with [Ru(η6-p-cymene)(μ-Cl)Cl]2 and RuCl2(PPh3)3 afford mono- and bis-chelate complexes [RuCl(η6-p-cymene){η2-Ph2P{(-OC10H6)(μ-CH2)(C10H6O-)}PPh2-κP,κP}]Cl (2) and trans-[RuCl2{η2-Ph2P{(-OC10H6)(μ-CH2)(C10H6O-)}PPh2-κP,κP}2] (3), respectively. Treatment of 1 with CuX (X = Cl, Br and I) furnish 10-membered chelate complexes of the type [Cu(X){η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}] (4, X = Cl; 5, X = Br; 6, X = I), whereas [Cu(MeCN)4]PF6 affords a bis-chelated cationic complex [Cu{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}2][PF6] (7). Reaction between 1 and AgOTf produce both mono- and bis-chelated complexes [Ag{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}(SO3CF3)] (8) and [Ag{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}2][SO3CF3] (9), respectively; whereas the similar reaction of 1 with[Ag(OTf)PPh3] affords chelate complex of the type [Ag{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}(PPh3)(SO3CF3)] (10). All the complexes were characterized by 1H NMR, 31P NMR, elemental analysis and mass spectrometry, including low-temperature NMR studies in the case of silver complexes. The molecular structures of 4 and 6 are determined by X-ray diffraction studies. Ruthenium complexes 2 and 3 promote catalytic hydrogenation of styrene and phenylacetylene with good turnover numbers.

}, doi = {10.1016/j.jorganchem.2006.06.040}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000238502400034, title = {Shape selective synthesis of long-chain linear alkyl benzene (LAB) with AIMCM-41/beta zeolite composite catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {253}, number = {1-2}, year = {2006}, month = {JUL}, pages = {239-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {AIMCM-41/beta zeolite composite, Alkylation, Benzene, long-chain olefins}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.03.045}, author = {Bordoloi, Ankur and Devassy, Biju M. and Niphadkar, P. S. and Joshi, P. N. and Halligudi, Shivaraj B.} } @article { ISI:000236477800029, title = {Size-dependent magnetic properties of nanocrystalline yttrium iron garnet powders}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {301}, number = {1}, year = {2006}, month = {JUN}, pages = {212-219}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {deprotection, Microwave, stannous chloride, tert-butyldimethylsilyl ethers}, isbn = {978-981-270-379-8}, issn = {0376-4699}, doi = {10.1016/j.bej.2005.08.002}, author = {Desai, Kiran M. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000242873400039, title = {Stereoselective syntheses of unnatural steroidal C(20R) aldehydes by ionic hydrogenation of C-20 tertiary alcohols}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9343-9347}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {1, 3-dithiane, ionic hydrogenation, oxidative hydrolysis, stereoselective synthesis, unnatural C-20 aldehydes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.116}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Pore, Vandana S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000237440200012, title = {Structural and active site modification studies implicate Glu, Trp and Arg in the activity of xylanase from alkalophilic Bacillus sp (NCL 87-6-10)}, journal = {Enzyme and Microbial Technology}, volume = {39}, number = {1}, year = {2006}, month = {JUN}, pages = {67-73}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

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

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

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

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

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

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

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

}, issn = {1528-7483}, doi = {10.1021/cg060127l}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @conference { ISI:000238125903326, title = {Surface characterization of diblock copolymers containing poly(ethylene oxide) and various hydrophobic moieties}, booktitle = {231st National Meeting of the American-Chemical-Society}, volume = {231}, year = {2006}, note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006}, month = {MAR}, pages = {326-COLL}, publisher = {American-Chemical-Society}, organization = {American-Chemical-Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Logan, Jennifer and Marcano, Kyle and Palaskar, Dnyaneshwar and Wadgaonkar, Prakash and Jost, Robert W. and Wudl, Fred and Baker, Shenda M.} } @article { ISI:000239445500108, title = {Surface modification of polyacrylonitrile based ultrafiltration membrane}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {6}, year = {2006}, month = {SEP}, pages = {4378-4385}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

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

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

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.06.023}, author = {Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000240085700003, title = {Synthesis and characterization of novel hydrophobically end-capped poly(ethylene oxide)s [PEOs]}, journal = {Macromolecular Symposia}, volume = {241}, year = {2006}, note = {Indo-French Symposium on Fibrillar Networks as Advanced Materials, Inst Charles Sadron, Strasbourg, FRANCE, SEP 21-23, 2005}, month = {JUL}, pages = {9-13}, publisher = {Indo-French Ctr Promot Adv Res; Indian Assoc Cultivat Sci; Kolkata; GUENET; CNRS}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {end-capped PEOs, hydrophobically modified polymers, water-soluble polymers}, issn = {1022-1360}, doi = {10.1002/masy.200650902}, author = {Badiger, Manohar V. and Kadam, Vijay S. and Lele, Ashish K. and Wadgaonkar, P. P. and Hourdet, Dominique} } @article {42732, title = {Synthesis and utility of new amine/nucleobase addition products of allenylphosphonates}, journal = {Tetrahedron}, volume = {62}, year = {2006}, month = {SEP}, pages = {10152{\textendash}10161}, type = {Article}, abstract = {

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

}, doi = {10.1016/j.tet.2006.08.034}, author = {Swamy, K. C. Kumara and Balaraman, Ekambaram and Kumar, N. Satish} } @article {Bender, title = {Synthesis, characterization, X-ray structure and DNA photocleavage by cis-dichloro bis(diimine) Co(III) complexes}, journal = {Journal of Inorganic Biochemistry}, volume = {100}, number = {3}, year = {2006}, month = {MAR}, pages = {331-343}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, keywords = {Acetic acid, acrylic acid, oxidative conversion of propane, rare earth-doped Mo-V-Sb catalysts}, issn = {0268-2575}, doi = {10.1016/j.jinorgbio.2005.11.022}, author = {Ghosh, Smita and Barve, A. C. and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G. and Datar, P. A. and Sonawane, U. B. and Joshi, Rohini R.} } @article { ISI:000242958500011, title = {Synthesis of cadmium selenide thin films at low-temperature by simple chemical route and their characterization}, journal = {Journal of Physics and Chemistry of Solids}, volume = {67}, number = {12}, year = {2006}, month = {DEC}, pages = {2506-2511}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {XRD}, issn = {0022-3697}, doi = {10.1016/j.jpes.2006.07.006}, author = {Hankare, P. P. and Delekar, S. D. and Asabe, M. R. and Chate, P. A. and Bhuse, V. M. and Khomane, A. S. and Garadkar, K. M. and Sarwade, B. D.} } @article {43213, title = {Synthesis of cyclic peptides using a palladium-catalyzed enyne cycloisomerization}, journal = {Tetrahedron Letters}, volume = {47}, year = {2006}, month = {MAY}, pages = {3569-3571}, abstract = {In this letter, we report a palladium-catalyzed enyne cycloisomerization of linear peptides to generate small cyclic peptides embedded with a conjugated 1,3-diene. The utility of these resulting macrocyclic dienes is demonstrated by carrying out [4+2] cycloadditions with dienophiles to generate constrained cyclic peptides with cyclic linkers. (c) 2006 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2006.03.053}, author = {Balraju, V. and Dev, R. Vasu and Reddy, D. Srinivasa and Iqbal, Javed} } @article {42762, title = {Synthesis of neutral (PdII, PtII), Cationic (PdII), and water-induced anionic (PdII) complexes containing new mesocyclic thioether-aminophosphonite ligands and their application in the suzuki cross-coupling reaction}, journal = {Inorganic Chemistry}, volume = {45}, year = {2006}, month = {OCT}, pages = {9454{\textendash}9464}, type = {Article}, abstract = {

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

}, doi = {10.1021/ic061419e}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000240786300012, title = {Total synthesis of (-)-radicamine B}, journal = {Tetrahedron Letters}, volume = {47}, number = {39}, year = {2006}, month = {SEP}, pages = {6979-6981}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {codonopsinine, Cyclic nitrone, Grignard addition, polyhydroxy pyrrolidine alkaloids, radicamine B}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.120}, author = {Gurjar, Mukund K. and Borhade, Ramdas G. and Puranik, Vedavati G. and Ramana, C. V.} } @article { ISI:000238771400023, title = {Treatment of spentwash using chemically modified bagasse and colour removal studies}, journal = {Bioresource Technology}, volume = {97}, number = {14}, year = {2006}, month = {SEP}, pages = {1752-1755}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Studies were carried out on derivatisation of bagasse into an ion exchange material and application of this chemically modified bagasse in the treatment of distillery wastewater. It was found that CHPTAC bagasse with HCl treatment and DEAE-bagasse in its free base form were most effective in colour removal and the mechanism of colour removal indicated significant contribution of both, the conventional ion exchange and the chemical sorption. (c) 2005 Elsevier Ltd. All rights

}, keywords = {decolourisation, distillery effluent, modified biomass, vinasse}, issn = {0960-8524}, doi = {10.1016/j.biortech.2005.10.016}, author = {Mane, Jyoti D. and Modi, Shewta and Nagawade, Swati and Phadnis, S. P. and Bhandari, Vinay M.} } @article { ISI:000242887400110, title = {Tuning of the magnetostrictive properties of CoFe2O4 by Mn substitution for Co}, journal = {Journal of Applied Physics}, volume = {100}, number = {11}, year = {2006}, month = {DEC}, pages = {113911}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Marked changes in the magnetostriction of CoFe2O4 in the substitution of Mn for Co has been observed. The magnetostriction parallel to the applied field direction decreases with increasing Mn content, whereas the magnetostriction perpendicular to the field showed a marked increase for 10\% of the Mn substitution. The observed magnetostrictive properties are correlated with the magnetic properties. The results suggest the possibility of tuning the magnetostrictive properties of cobalt ferrite for various applications by proper substitution. (c) 2006 American Institute of Physics.

}, issn = {0021-8979}, doi = {10.1063/1.2401648}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000239400800053, title = {Unfavorable coordination of copper with methyl vinyl ketone in atom transfer radical polymerization}, journal = {Macromolecules}, volume = {39}, number = {16}, year = {2006}, month = {AUG }, pages = {5555-5558}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0024-9297}, doi = {10.1021/ma060365p}, author = {Mittal, A. and Sivaram, S. and Baskaran, D.} } @article {42733, title = {Unusual products in the reactions of phosphorus(III) compounds with N=N, C equivalent to C or conjugated double-bonded systems}, journal = {Journal of Chemical Sciences}, volume = {118}, year = {2006}, month = {NOV}, pages = {495{\textendash}501}, type = {Article}, abstract = {

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

}, doi = {10.1007/BF02703946}, author = {Swamy, K. C. Kumara and Balaraman, Ekambaram and Pavan, M. Phani and Kumar, N. N. Bhuvan and Kumar, K. Praveen and Kumar, N. Satish} } @article { ISI:000237524500009, title = {Well-defined poly(4-vinylbenzocyclobutene): synthesis by living anionic polymerization and characterization}, journal = {Macromolecules}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {3525-3530}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0024-9297}, doi = {10.1021/ma060175e}, author = {Sakellariou, G. and Baskaran, D. and Hadjichristidis, Nikos and Mays, Jimmy W.} } @article { ISI:000240496500030, title = {ZnO multipods, submicron wires, and spherical structures and their unique field emission behavior}, journal = {Journal of Physical Chemistry B}, volume = {110}, number = {37}, year = {2006}, month = {SEP}, pages = {18236-18242}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple method of vapor deposition for the shape selective synthesis of ZnO structures, namely, multipods, submicron wires, and spheres, has been successfully demonstrated. A plausible growth mechanism based on the studies of scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) is proposed. Our studies suggest that the growth of a multipod structure is governed by the screw dislocation propagation while the vapor-liquid-solid (VLS) mechanism is responsible for the formation of submicron wires and spheres. Moreover, the flow rate of the carrier gas plays a crucial role in governing the morphology. Further, these structures exhibit an enhanced field emission behavior. The nonlinearity in the Fowler-Nordheim (F-N) plot, a characteristic feature of electron emission from semiconductors, is explained by considering the contributions from both the conduction and the valence bands of ZnO.

}, issn = {1520-6106}, doi = {10.1021/jp0628131}, author = {Ramgir, Niranjan S. and Late, Dattatray J. and Bhise, Ashok B. and More, Mahendra A. and Mulla, Imtiaz S. and Joag, Dilip S. and Vijayamohanan, K.} } @article { ISI:000248080100348, title = {3-(3-Methylphenoxy)-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {63}, number = {5}, year = {2007}, month = {MAY}, pages = {O2405-O2406}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, chapter = {Part 5}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

In the title compound, C15H15O4P, the seven-membered phosphepine ring exhibits a twist-chair conformation, with the phosphoryl O atom in an equatorial and the methylphenoxy group in an axial position. The crystal structure is stabilized by both intra- and intermolecular C-H center dot center dot center dot O hydrogen bonds.

}, issn = {1600-5368}, doi = {10.1107/S1600536807015954}, author = {Krishna, J. Radha and Krishnaiah, M. and Babu, M. F. Stephen and Reddy, C. Suresh and Puranik, Vedavati G.} } @article { ISI:000247759200023, title = {Adsorption of zinc from aqueous solution using chemically treated newspaper pulp}, journal = {Bioresource Technology }, volume = {98}, number = {16}, year = {2007}, month = {NOV}, pages = {3136-3141}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Adsorption, newspaper pulp, TNP, zinc}, issn = {0960-8524}, doi = {10.1016/j.biortech.2006.10.040}, author = {Chakravarty, S. and Bhattacharjee, S. and Gupta, K. K. and Singh, M. and Chaturvedi, Hema T. and Maity, S.} } @article { ISI:000207455800021, title = {Analysis of mitochondrial DNA sequences in childhood encephalomyopathies reveals new disease-associated variants}, journal = {Plos One}, volume = {2}, number = {9}, year = {2007}, month = {SEP}, pages = {e942}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA}, abstract = {

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

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0000942}, author = {Wani, Aijaz A. and Ahanger, Sajad H. and Bapat, Sharmila A. and Rangrez, Ashraf Y. and Hingankar, Nitin and Suresh, C. G. and Barnabas, Shama and Patole, Milind S. and Shouche, Yogesh S.} } @article { ISI:000245763600001, title = {Anionic vinyl polymerization - 50 years after Michael Szwarc}, journal = {Progress in Polymer Science}, volume = {32}, number = {2}, year = {2007}, month = {FEB}, pages = {173-219}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We present a review on the present status of anionic polymerization of important non-polar and polar vinyl monomers. After presenting the historical background-the {\textquoteleft}{\textquoteleft}pre-Szwarc{\textquoteright}{\textquoteright} era-we discuss the mechanisms of this polymerization, in particular several types of carbanions, their ion-pairs and their aggregates occurring in the initiation and propagation of non-polar and polar monomers, including recent developments. Finally, we discuss some important scientific and industrial applications of anionic polymerization. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Anionic polymerization, carbanions, history, ion-pairs, kinetics, mechanisms}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2007.01.003}, author = {Baskaran, Durairaj and Mueller, Axel H. E.} } @article { ISI:000251722700028, title = {Assessing feasibility of polyarylate-clay nanocomposites towards improvement of gas selectivity}, journal = {Journal of Membrane Science}, volume = {306}, number = {1-2}, year = {2007}, month = {DEC}, pages = {277-286}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymer-clay nanocomposites are well known to reduce the penetrant permeability by following tortuous path. Effects of such reduction in gas permeability on variation in selectivity of nanocomposites prepared using a high permeability polymer were examined. The polyarylate: poly (tetramethyl bisphenolA-iso/terephthalate) that exhibits high permeability and moderate selectivity was chosen for making nanocomposites with two organically modified clays (Cloisite 6A and 10A) by solution intercalation method. The nanocomposite formation for various clay loadings (3, 5 and 7\% w/w) in polyarylate was ascertained by change in physical properties (X-ray diffraction, DMA, TEM). Behavior of solution viscosity and nanocomposite density indicated existence of polymer-clay layer interactions. As anticipated, though the gas permeability of pure gases, viz., He, N-2, CH4 and CO2 exhibited decrease, it was not monotonous. This decrease was more for larger gases (N-2, CH4 and CO2) in comparison to the decrease for smaller gas (He) permeability. This led to a decrease in CO2/N-2 and CO2/CH4 selectivities and increase in He/CO2 selectivity; while He/CH4 selectivity was increased substantially at 7\% clay loading. This variation indicated feasibility of nanocomposites formation as a tool for improving selectivity of certain gas pairs. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Gas permeation, Nanocomposites, polyarylates, selectivity, solution intercalation}, issn = {0376-7388}, doi = {10.1016/j.memsci.2007.09.001}, author = {Bhole, Yogesh S. and Wanjale, Santosh D. and Kharul, Ulhas K. and Jog, Jyoti Prakash} } @article { ISI:000252511300020, title = {Bacterial enzyme mediated biosynthesis of gold nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {12}, year = {2007}, month = {DEC}, pages = {4369-4377}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {Biosynthesis, bovine serum, gold nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2007.891}, author = {Bharde, Atul A. and Kulkarni, Aarohi and Rao, Mala and Prabhune, Asmita and Sastry, Murali} } @article { ISI:000245984200011, title = {Bile salt hydrolase, the member of Ntn-hydrolase family: differential modes of structural and functional transitions during denaturation}, journal = {IUBMB Life}, volume = {59}, number = {2}, year = {2007}, month = {FEB}, pages = {118-125}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {Aggregation, Bile salt hydrolase, molten-globule, Unfolding}, issn = {1521-6543}, doi = {10.1080/15216540701245014}, author = {Kumar, R. Suresh and Suresh, C. G. and Brannigan, James A. and Dodson, Guy G. and Gaikwad, Sushama M.} } @inbook {42771, title = {Bioconjugation of soft nanomaterials}, booktitle = {Biomedical Nanostructures}, year = {2007}, pages = {61-91}, publisher = {John Wiley \& Sons, Inc.}, organization = {John Wiley \& Sons, Inc.}, address = {Hoboken, NJ, USA.}, doi = {10.1002/9780470185834.ch4}, author = {Singh, Neetu and Blackburn, William H. and Lyon, L. Andrew} } @article { ISI:000243655000034, title = {Blocking effects in irreversible adsorption of linear macromolecules}, journal = {Surface Science}, volume = {601}, number = {1}, year = {2007}, month = {JAN}, pages = {274-279}, publisher = {ELSEVIER SCIENCE BV}, type = {JAN}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Adsorption, adsorption kinetics, Monte Carlo simulations, random sequential adsorption (RSA)}, issn = {0039-6028}, doi = {10.1016/j.susc.2006.09.031}, author = {Shelke, Pradip B. and Banpurkar, Arun G. and Ogale, S. B. and Limaye, A. V.} } @article {52}, title = {Characterization and catalytic activity of cobalt containing MCM-41 prepared by direct hydrothermal, grafting and immobilization methods}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {266}, number = {1-2}, year = {2007}, month = {APR}, pages = {118-130}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {2-butanol, cyclohexanone, Mesoporous molecular sieves, MPV reduction}, issn = {1381-1169}, doi = { 10.1016/j.molcata.2006.09.031}, author = {Bhoware, Shrikant S. and Singh, A. P.} } @article { ISI:000244404400002, title = {Characterization of the proteins of bacterial strain isolated from contaminated site involved in heavy metal resistance - a proteomic approach}, journal = {Journal of Biotechnology}, volume = {128}, number = {3}, year = {2007}, month = {FEB}, pages = {444-451}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {2D PAGE, heavy metal toxicity, Mass spectrometry}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2006.11.010}, author = {Bar, Chinmayee and Patil, Rajendra and Doshi, Jignesh and Kulkarni, Mahesh J. and Gade, Wasudeo N.} } @article { ISI:000250092000010, title = {Confinement of nano CdS in designated glass: a novel functionality of quantum dot-glass nanosystems in solar hydrogen production}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {40}, year = {2007}, month = {AUG}, pages = {4297-4303}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {0959-9428}, doi = {10.1039/b708269j}, author = {Kale, Bharat B. and Baeg, Jin-Ook and Apte, Sanjay K. and Sonawane, Ravindra S. and Naik, Sonali D. and Patil, Kashinath R.} } @article { ISI:000251733600003, title = {Controlled covalent functionalization of multiwalled carbon nanotubes using [4+2] cycloaddition of benzocyclobutenes}, journal = {Chemistry of Materials}, volume = {19}, number = {26}, year = {2007}, month = {DEC}, pages = {6370-6372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm702470x}, author = {Sakellariou, Georgios and Ji, Haining and Mays, Jimmy W. and Hadjichristidis, Nikos and Baskaran, Durairaj} } @article {42731, title = {Convenient chromatography-free access to enantio-pure 6,6{\textquoteright}-di-tert-butyl-1,1{\textquoteright}- binaphthalene-2,2{\textquoteright}-diol- its 3,3{\textquoteright}-dibromo, di-tert-butyl and phosphorus derivatives: utility in asymmetric synthesis}, journal = {Tetrahedron-Asymmetry}, volume = {18}, year = {2007}, month = {SEP}, pages = { 2037{\textendash}2048}, type = {Article}, abstract = {

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

}, doi = {10.1016/j.tetasy.2007.06.028}, author = {Balaraman, Ekambaram and Swamy, K. C. Kumara} } @article {AYC:AYCHJ3047, title = {Different interaction motifs of dipolar S = O center dot center dot center dot C = O contacts that associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2-oxo-bicyclo[2.2.1]heptan-1-ylmethyl]-sulfonyl}-myo-inositol 1,3,5-ortho-acetate}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {63}, number = {9}, year = {2007}, month = {SEP}, pages = { O555-O558}, publisher = {Blackwell Publishing Ltd}, type = {Article}, abstract = {

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

}, issn = {1600-5759}, doi = {10.1107/S0108270107035858}, author = {Manoj, Kochunnoonny and Gonnade, R. G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000251244900038, title = {Eco-friendly, selective hydroxylation of C-7 aromatic compounds catalyzed by TS-1/H2O2 system under solvent-free solid-liquid-liquid-type triphase conditions}, 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 = {8657-8664}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Direct ring hydroxylation of aromatics, namely, anisole, toluene, and benzylchloride, using TS-1 catalyst, a MFI-type titanium silicate molecular sieve, dilute H2O2 as oxidizing agent, and water as reaction medium, was investigated under solid-liquid-liquid (SLL)-type triphase conditions. The aim was to study the relative influence of commonly used organic solvents, under solid-liquid (SL)-type biphase reaction conditions, as compared to that of water, on the conversion and product selectivity. Under solvent-free triphase conditions, the ring hydroxylation of anisole, toluene, and benzylchloride leads to significant enhancement in the conversion, turn-over frequency, and para-selectivity. However, in the case of benzyl chloride, no ring hydroxylation took place under biphase conditions (using acetone as solvent) contrary to significant ring hydroxylation (ca. 60\% H2O2 efficiency) under triphase aqueous medium conditions. The simple product recovery (phase separation of organic and aqueous layers) and use of water as reaction medium are other advantages. Since TS-1 is relatively hydrophobic, the reaction is hindered in the presence of organic solvents as they compete favorably with the substrate for diffusion inside the TS-1 channels. However, in the presence of water, the organic substrate competes favorably with water, leading to increased conversion and para-selectivity.

}, issn = {0888-5885}, doi = {10.1021/ie070088q}, author = {Mukherjee, P. and Bhaumik, Asim and Kumar, Rajiv} } @article { ISI:000254461400002, title = {Effect of auxin types on in vitro and ex vitro rooting and acclimatization of grapevine as influenced by substrates}, journal = {Indian Journal of Horticulture}, volume = {64}, number = {1}, year = {2007}, month = {MAR}, pages = {5-11}, publisher = {HORTICULTURAL SOC INDIA}, type = {Article}, address = {DIV FRUITS \& HORTICULTURAL TECHNOL, INDIAN AGRICULTURAL RESEARCH INST, NEW DELHI, 110 012, INDIA}, abstract = {

Transferring micropropagated plantlets from in vitro to in vivo conditions is a critical step because plantlets have under-developed cuticle and stomata which result in wilting due to low humidity, fungal attack and bleaching in high light intensities. The resumption of terminal growth indicates successful establishment which is a change from mixotrophy to autotrophy. The survival of Vitis vinifera cvs. 2A-Clone and Red Globe plantlets rooted in vitro was 86.66 and 83.33\%, respectively and the established plants showed a well-defined root system. Plantlets rooted in vivo by auxin pulse were easier to transfer and acclimatize with a survival percentage of 96.66 and 79.92 for 2A-Clone and Red Globe, respectively but the rooting was of fibrous type with few main roots and less number of root hairs. Coco-peat in combination with sand and soil was better for quick acclimatization and establishment (97.5 and 95\% survival for 2A-Clone and Red Globe respectively) of the micropropagated plantlets.

}, keywords = {auxin pulse, coco-peat, grape, micropropagation, plantlet survival}, issn = {0972-8538}, author = {Barreto, M. S. and Nookaraju, A.} } @article { ISI:000245599400011, title = {Effect of halogen addition to monolayer protected gold nanoparticles}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {16}, year = {2007}, month = {FEB}, pages = {1614-1619}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {0959-9428}, doi = {10.1039/b614934k}, author = {Singh, Sanjay and Pasricha, Renu and Bhatta, Umananda M. and Satyam, P. V. and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000250556100042, title = {Effect of surface chemistry of Fe-Ni nanoparticles on mechanistic pathways of azo dye degradation}, journal = {Environmental Science \& Technology}, volume = {41}, number = {21}, year = {2007}, month = {NOV}, pages = {7437-7443}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The degradation of Orange G a monoazo dye, in aqueous solutions was investigated using as-synthesized and stored Fe-Ni bimetallic nanoparticles. Batch experiments with a nanocatalyst loading of 3 g/L showed complete. dye degradation (150 mg/L) after 10 min of reactiontime. HPLC-MS analysis of the degradation products showed that assynthesized nanoparticles reductively cleaved the azo linkage to produce aniline as the major degradation product. However, 1-year-stored nanoparticles showed an oxidative degradation of Orange G through a hydroxyl-radical induced coupling of parent and/or product molecules. XPS analysis in corroboration with HPLC-MS data showed that the surface chemistry between Fe and Ni in assynthesized and stored nanoparticles play a crucial role. in directing the mode of degradation. Reductive dye degradation using as-synthesized nanoparticles proceeded through hydride transfer from nickel, whereas formation of a Fe (2+) -Ni(0) galvanic cell in stored nanoparticles generated hydroxyl radicals from water in a nonFenton type reaction. The latter were responsible for the generation of radical centers on the dye molecule, which led to a coupling-mediated oxidative degradation of Orange G. The generation of hydroxyl radicals is further substantiated with radical quenching experiments using ascorbic acid indicating that stored nanoparticles degrade Orange G through a predominantly oxidative mechanism. HPLC-MS and XPS analysis of dye degradation using as-synthesized nanoparticles exposed to air and water confirmed that the reductive or oxidative degradation capability of Fe-Ni nanoparticles is decided by the time and type of catalyst aging process.

}, issn = {0013-936X}, doi = {10.1021/es071107q}, author = {Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article {42465, title = {Efficient higher-order cycloaddition reactions of 8,8-dicyanoheptafulvenes with dienes}, journal = {Synthesis-Stuttgart }, year = {2007}, month = {JUN}, pages = {1833-1836}, type = {Article}, abstract = {

The cycloaddition reactions of 8,8-dicyanoheptafulvene with electron-rich dienes afforded the higher order cycloaddition products in excellent yields. With cyclic dienes as well as dimeth-oxybutadiene the [8+2] adducts were obtained exclusively. With methyl- and dimethylbutadienes the [6+4] adducts were the only products isolated.

}, keywords = {cycloadditions - bicyclic compounds - polycycles - di-cyanoheptafulvene - tetrahydroazulenes}, doi = {10.1055/s-2007-983711}, author = {Nair, Vijay and Gopalakrishnan Abhilash, K. and Biju, Akkattu T. and Eringathodi, Suresh} } @article { ISI:000242759500013, title = {Efficient N-arylation of amines catalyzed by Cu-Fe-hydrotalcite}, journal = {Catalysis Communications}, volume = {8}, number = {1}, year = {2007}, month = {JAN}, pages = {65-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An efficient N-arylation of amines with aryl halides in presence of heterogeneous recyclable Cu-Fe-hydrotalcite catalyst has been developed. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {amines, Aryl halides, Cu-Fe-hydrotalcite, heterogeneous catalyst, N-arylation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.030}, author = {Jadhav, Vinod H. and Dumbre, Deepa K. and Phapale, Vilas B. and Borate, Hanumant B. and Wakharkar, Radhika D.} } @article { ISI:000246431300013, title = {Efficient one-pot synthesis of alpha-amino phosphonates catalyzed by bismuth nitrate pentahydrate}, journal = {Synlett}, number = {5}, year = {2007}, month = {MAR}, pages = {745-748}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A simple, efficient, and environmentally benign method has been developed for the synthesis of alpha-amino phosphonates through a one-pot reaction of aldehydes with amines and diethyl phosphite in the presence of bismuth nitrate pentahydrate as a catalyst. Some of the major advantages of this protocol are: good yields, the involvement of a less-expensive and non-toxic catalyst, mild and solvent-free reaction conditions and also tolerance towards other functional groups present in the substrates. Eighteen examples are described, highlighting the substrate scope of the reaction.

}, keywords = {aldehydes, alkyl phosphite, alpha-amino phosphonates, amines, bismuth nitrate pentahydrate, synthetic methods}, issn = {0936-5214}, doi = {10.1055/s-2007-970762}, author = {Bhattacharya, Asish K. and Kaur, Tanpreet} } @article { ISI:000243492800021, title = {Enantiomeric separation of novel anticancer agent 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en- 1-one}, journal = {Journal of Chromatography A}, volume = {1138}, number = {1-2}, year = {2007}, month = {JAN}, pages = {184-189}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {asymmetric dihydroxylation, influenza, Sonogashira coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.05.047}, author = {Baruah, Pranjal K. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {Joshi, title = {Encapsulation of endoglucanase using a biopolymer Gum arabic for its controlled release}, journal = {Bioresource Technology}, volume = {98}, number = {2}, year = {2007}, month = {JAN}, pages = {368-372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Gum Arabic, a biodegradable natural polymer was used as a matrix to encapsulate endoglucanase from Thermomonospora sp. The modified enzyme retained complete biocatalytic activity and exhibited a shift in the optimum temperature [

}, keywords = {Enzyme catalysis, OPTA, Thermomonospora sp., Xylanase}, issn = {1525-7797}, author = {Ramakrishnan, Anish and Pandit, Nilesh and Badgujar, Mahesh and Bhaskar, C. and Rao, Mala} } @article {45}, title = {Enforcing periodic secondary structures in hybrid peptides: a novel hybrid foldamer containing periodic gamma-turn motifs}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {2}, year = {2007}, month = {JAN}, pages = {636-639}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

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

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

}, keywords = {Artificial neural network, gross calorific value (GCV), proximate and ultimate analyses}, issn = {0016-2361}, doi = {10.1016/j.fuel.2006.07.036}, author = {Patel, Shagufta U. and Kumar, B. Jeevan and Badhe, Yogesh P. and Sharma, B. K. and Saha, Sujan and Biswas, Subhasish and Chaudhury, Asim and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000243735500042, title = {Facile chemo-, regio-, and diastereoselective approach to cis-3,5-disubstituted gamma-butyrolactones and fused gamma-butyrolactones}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {3}, year = {2007}, month = {FEB}, pages = {1009-1012}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Chemoselective S(N)2{\textquoteright} condensation of primary enolates of alkyl methyl ketones 2a-e with dimethyl bromomethylfumarate ( 1) followed by highly diastereoselective NaBH4 reduction of the ketone function in the formed ketodiesters 3a-e and the regioselective in situ lactonization of the unisolable intermediates 4a-e exclusively furnished the cis-3,5-disubstituted gamma-butyrolactones (+/-)-5a-e in very good yields. Similarly, the face-selective coupling reaction of cyclohexanone enolate with 1 to form a mixture of diastereomers in an 8: 2 ratio followed by a highly selective reductive cyclization of 9 plus 10 exclusively provided the cis-octahydrobenzofuran (+/-)- 12 in 70\% overall yield.

}, issn = {0022-3263}, doi = {10.1021/jo0619128}, author = {Baag, Md. Merajuddin and Puranik, Vedavati G. and N. P. Argade} } @article {42684, title = {Ferromagnetic resonance in nanomagnetic metal core and noble metal shell systems}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, year = {2007}, month = {SEP}, pages = {3134-3139}, type = {Article}, abstract = {

The change in the line widths in the ferromagnetic resonance (FMR) spectra of Co and Ni nanoparticles upon shell formation with noble metals like gold or silver are described. The NicoreAgshell, CocoreAgshell, and CocoreAushell nanoparticles were prepared by a simple transmetallation reaction between the Co and Ni nanoparticles and the Ag+ or AuCl-4 ions. It is revealed that the FMR line width decreases upon Ag shell formation whereas it increases upon core{\textendash}shell composite formation with Au. Several probable explanations such as the differences in size distributions before and after the reaction or the changes occurring in shape anisotropy of the particles due to the shell formation or the different extents of electronic interaction between the core and shell materials have been offered for this observation.

}, keywords = {Fmr Study; Line Width Comparison; Magnetic Core-Noble Metal Shell Nanoparticles}, doi = {10.1166/jnn.2007.664}, author = {Bala, Tanushree and Enoki, Toshiaki and Bhagavatula L. V. Prasad} } @article { ISI:000249834900020, title = {Field emission investigations of RuO2-doped SnO2 wires}, journal = {Applied Surface Science}, volume = {253}, number = {23}, year = {2007}, month = {SEP}, pages = {9159-9163}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Field emission studies of a bunch and a single isolated RuO2:SnO2 wire have been performed. A current density of 5.73 x 10(4) A/cm(2) is drawn from the single wire emitter at an applied field of 8.46 x 10(4) V/mu m. Nonlinearity in the Fowler-Nordheim (F-N) plot has been observed and explained on the basis of electron emission from both the conduction and the valence bands of the semiconductor. The current stability recorded at the preset value of 1.5 LA is observed to be good. Overall the high emission current density, good stability and mechanically robust nature of the RuO2:SnO2 wires offer advantages as field emitters for many potential applications. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {doped semiconductor, field emission, field enhancement factor, RuO2, SnO2}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2007.05.058}, author = {Bhise, Ashok B. and Late, Dattatray J. and Ramgir, Niranjan S. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @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:000245142200047, title = {Grafting reactions of living macroanions with multi-walled carbon nanotubes}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {4-5}, year = {2007}, month = {APR}, pages = {1560-1567}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Grafting reactions of living polystyryllithium (PSLi) with acid chloride containing multi-walled carbon nanotubes (MWNTs-COCl) were performed under vacuum in benzene at room temperature. Covalent grafting of polystyrene (PS) was characterized using spectroscopic, microscopic, and thermogravimetric analyses. Grafting at different ratios of macroanion to acylchloride of the carbon nanotubes showed that the grafting efficiency was not dependent on the concentration of the macroanions. The mole percent of PS present in the MWNTs-g-PS samples was inversely proportional to the precursor molecular weight of PSLi. Direct reactions of PSLi, polybutadienyllithium and n-butyllithium with pristine MWNTs without any functional groups were also performed in the presence and in the absence of tetrahydrofuran in benzene. The grafting reactions of living macroanions either with MWNTs-COCl or with pristine MWNTs indicated a partial grafting of polymer on the carbon nanotubes in benzene at room temperature.

}, keywords = {Anionic polymerization, covalent functionalization, grafting, multi-walled carbon nanotubes}, issn = {1533-4880}, doi = {10.1166/jnn.2007.459}, author = {Baskaran, Durairaj and Sakellariou, Georgios and Mays, Jimmy W. and Bratcher, Matthew S.} } @article {42752, title = {Group 11 metal complexes of mesocyclic thioether-aminophosphonites, (-OC10H6)}, journal = {European Journal of Inorganic Chemistry}, year = {2007}, month = {FEB}, pages = {720{\textendash}731}, type = {Article}, abstract = {

Group 11 metal complexes of the mesocyclic thioether aminophosphonites [-OC10H6(μ-S)C10H6O-]PNC4H8E {2a: E = O; 2b: E = NMe; IUPAC names: 4-(dinaphtho[2,1-d:1',2'-g][1,3,6,2]dioxathiaphosphocin-4-yl)morpholine (2a), 1-(dinaphtho[2,1-d:1',2'-g][1,3,6,2]dioxathiaphosphocin-4-yl)-4-methylpiperazine (2b)} are reported. Thioether aminophosphonites 2a and 2b react with CuX (X = Cl, Br, and I) in a 1:1 molar ratio to give the tricoordinate, dimeric complexes [{[{-OC10H6(μ-S)C10H6O-}PNC4H8E-κP]Cu(μ-X)}2] (4a: E = O, X = Cl; 4b: E = NMe, X = Cl; 5a: E = O, X = Br; 5b: E = NMe, X = Br; 6a: E = O, X = I; 6b: E = NMe, X = I), whereas with 2:1 molar ratios monomeric complexes of the type[{[-OC10H6(μ-S)C10H6O-]PNC4H8O-κP}2CuX] (7a: E = O, X = Cl; 7b: E = NMe, X = Cl; 8a: E = O, X = Br; 8b: E = NMe, X = Br; 9a: E = O, X = I; 9b: E = NMe, X = I) are obtained in excellent yield. The P,S-chelated cationic complexes[{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP,κS}2Cu]BF4 (10a: E = O; 10b: E = NMe) are obtained when 2a and 2b are treated with half an equivalent of [(MeCN)4Cu]BF4. Similarly, thesilver complexes [{[{-OC10H6(μ-S)C10H6O-}PNC4H8E-κP,κS]AgCF3SO3}2] (11a: E = O: 11b: E = NMe) and [{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP,κS}Ag(PPh3)]CF3SO3 (12a: E = O; 12b: E = NMe) are synthesized by the treatment of thioether aminophosphonites 2a and 2b with AgOTf and [Ag(PPh3)][OTf], respectively. Reactions of 2a and 2b with [AuCl(SMe2)] produce the simple monomeric gold(I) complexes [{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP}AuCl] (13a: E = O; 13b: E = NMe). The iodo derivatives [{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP}AuI] (14a: E = O; 14b: E = NMe) are obtained by the halide-exchange reaction of 13a and 13b with CuI at room temperature. The structures of complexes 5a, 7a, 8a, 13a, 13b, and 14a are confirmed by single-crystal X-ray diffraction studies. In all of these complexes, the sulfur atom in the mesocyclic ring shows coordinative interaction towards the phosphorus atom, and in 5a, 7a, 8a, and 14a towards the metal center as well. ({\textcopyright} Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2007)

}, doi = {10.1002/ejic.200600913}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article {42755, title = {Highly air-stable anionic mononuclear and neutral binuclear palladium(ii) complexes for C-C and C-N bond-forming reactions}, journal = {Inorganic Chemistry}, volume = {46}, year = {2007}, month = {NOV}, pages = {11316{\textendash}11327}, type = {Article}, abstract = {

The short-bite aminobis(phosphonite), PhN{P(-OC10H6(μ-S)C10H6O-)}2 (2), containing a mesocyclic thioether backbone is synthesized by either treating PhN(PCl2)2 with 2 equiv of thiobis(2,2{\textquoteleft}-naphthol) or reacting chlorophosphite (-OC10H6(μ-S)C10H6O-)PCl (1) with aniline in the presence of a base. Treatment of 2 with an equimolar amount of Pd(COD)Cl2 in the presence of H2O affords a P-N-P-bridged and P,S-metalated binuclear complex, [PhN(P(-OC10H6(μ-S)C10H6O-)-κP)2Pd2Cl2{P(-OC10H6(μ-S)C10H6O-)(O)-κP,κS}2] (3), whereas the same reaction with 2 equiv of Pd(COD)Cl2 in the presence of H2O and Et3N produces the mononuclear anionic complex [{(-OC10H6(μ-S)C10H6O-)P(O)-κP,κS}PdCl2](Et3NH) (5). By contrast, reaction of 2 with 2 equiv of Pd(COD)Cl2 and H2O in the absence of Et3N gives the hydrogen phosphonate coordinated complex [{(-OC10H6(μ-S)C10H6O-)P(OH)}PdCl2] (4) which converts to the anionic complex in solution or in the presence of a base. Compound 2 on treatment with Pt(COD)X2 (X = Cl or I) afforded P-coordinated four-membered chelate complexes [PhN(P(-OC10H6(μ-S)C10H6O-)-κP)2PtX2] (6 X = Cl, 7 X = I). The crystal structures of compounds 2, 3, 5, and 7 are reported. Compound 3 is the first example of a crystallographically characterized binuclear palladium complex containing a bidentate bridging ligand and its hydrolyzed fragments forming metallacycles containing a palladium-phosphorus σ bond. All palladium complexes proved to be very good catalysts for the Suzuki-Miyaura and Mizoroki-Heck cross-coupling and amination reactions with excellent turnover numbers (TON up to 1.46 {\texttimes} 105 in the case of the Suzuki-Miyaura reaction).

}, doi = {10.1021/ic701674x}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000251153900031, title = {Impact of orientational distribution of adsorbing objects on dynamics of Random Sequential Ballistic Adsorption (RSBA) dynamics}, journal = {Surface Science}, volume = {601}, number = {21}, year = {2007}, month = {NOV}, pages = {5010-5015}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Recently, by proposing a new variant of Random Sequential Adsorption (RSA) namely Random Sequential Ballistic Adsorption (RSBA) model [Pradip B. Shelke, A.G. Banpurkar, S.B. Ogale, A.V. Limaye, Surf. Sci. 601 (2007) 274], we addressed the issue of adsorption dynamics of extended objects where the objects, upon adsorption, protrude outside the substrate. This study brought out the role of the arriving trajectory in the adsorption dynamics. In the present work the possible role of the orientational distribution of the arriving objects in the RSBA dynamics is investigated. The dynamics of RSBA of needles (line segments) is studied analytically and by computer simulation for different types of theta distributions of arriving needles, theta being the angle made by the arriving needle with normal to the substrate. Three types of theta distributions, namely a uniform distribution over the range (0, pi/2), a Gaussian distribution and a distribution uniform over the solid angle, are considered. Analytical treatment establishes that in all the three cases, the number n(t) of adsorbed objects at a late time t follows a power law n(t) similar to t(alpha), and the exponent a depends on the specifics of the theta distribution. In general, for distribution f(theta) proportional to theta(beta), for theta -\> 0, alpha is found to be 2/(beta + 3). The simulation results are in excellent agreement with the analytical findings and together they reveal that the orientational distribution of arriving objects has significant consequences for the Random Sequential Ballistic Adsorption (RSBA) process. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, adsorption kinetics, Monte Carlo simulations, random sequential adsorption (RSA)}, issn = {0039-6028}, author = {Shelke, Pradip B. and Banpurkar, Arun G. and Ogale, Satishchandra B. and Limaye, A. V.} } @article { ISI: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 {42685, title = {Interaction of different metal ions with carboxylic acid group: a quantitative study}, journal = {Journal of Physical Chemistry A}, volume = {111}, year = {2007}, month = {JUN}, pages = {6183{\textendash}6190}, type = {Article}, abstract = {

The binding strength of the carboxylic acid group (-COOH) with different divalent metal ions displays considerable variation in arachidic acid (AA) thin films. It is considered that in AA thin films the metal ions straddle the hydrophilic regions of the stacked bilayers of AA molecules via formation of carboxylates. In this study first the uptake of different divalent cations in films of AA is estimated by atomic absorption spectroscopy (AAS). Through the amount of cation uptake, it is found that the strength of binding of different cations varies as Ca2+ \> Co2+ \> Pb2+ \> Cd2+. Variation in the binding strength of different ions is also manifested in experiments where AA thin films are exposed to metal ion mixtures. The higher binding strength of AA with certain metal ions when exposed individually, as well as the preference over the other metal ions when exposed to mixtures, reveal some interesting deviation from the expected behavior based on considerations of ionic radii. For example, Pb2+ is always found to bind to AA much more strongly than Cd2+ even though the latter has smaller ionic radius, indicating that other factors also play an important role in governing the binding strength trends apart from the effects of ionic radii. Then, to get a more meaningful knowledge regarding the binding capability, first-principles calculations based on density functional theory have been applied to study the interaction of different cations with the simplest carboxylic acid, acetic acid, that can result in formation of metal diacetates. Their electronic and molecular structures, cohesive energies, and stiffness of the local potential energy well at the cation (M) site are determined and attempts are made to understand the diversity in geometry and the properties of binding of different metal ions with -COOH group. We find that the calculated M-O bond energies depend sensitively on the chemistry of M atom and follow the experimentally observed trends quite accurately. The trends in M-O bond energies and hence the total M-acetate binding energy trends can actually be related to their molecular structures that fall into different categories: Ca and Cd have tetrahedral coordination; Fe, Ni, and Co exhibit planar 4-fold coordination; and Pb is off-centered from the planar structure (forming pyramidal structure) due to its stereochemically active lone pair of electrons.

}, doi = {10.1021/jp067906x}, author = {Bala, Tanushree and Bhagavatula L. V. Prasad and Sastry, Murali and Kahaly, Mousumi Upadhyay and Waghmare, Umesh V.} } @article { ISI:000243150300031, title = {Interface and defect structures in YBa(2)Cu(3)O(7-delta) and Nb : SrTiO(3) heterojunction}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {1}, year = {2007}, month = {JAN}, pages = {187-191}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

YBa(2)Cu(3)O(7-delta) thin films grown on a Nb-doped SrTiO(3) substrate by a pulsed laser deposition method have been fully characterized by scanning transmission electron microscopy Z- contrast imaging and electron energy loss spectroscopy techniques. The Nb distribution was found to be uniform and unchanged across the interface, ensuring a high quality p - n junction heterointerface. We first observed the coexistence of 124 and 125 YBCO defect structure phases, appearing as planar defects in a YBCO thin film. Dispersive Y(2)O(3) nanoparticles have also been observed in the thin film. The interaction of these defect structures and Y(2)O(3) nanoparticles is thought to be beneficial for pinning flux through the entire film thickness.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/1/013}, author = {Fu, Lian-feng and Browning, Nigel D. and Ramadan, W. and Ogale, Satishchandra B. and Kundaliya, D. C. and Venkatesan, T.} } @article {2}, title = {Investigating organization of molecules that facilitates intermolecular acyl transfer in crystals: reactivity and x-ray structures of O-benzoyl-myo-inositol 1,3,5-orthoesters}, journal = {European Journal of Organic Chemsitry}, volume = {293}, number = {7}, year = {2007}, month = {FEB}, pages = {1153-1159}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {AOT, CdS-Ag2S, core-shell, Nanoparticles, w/o microemulsion, XPS}, issn = {0927-7757}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article {42751, title = {Large bite bisphosphite, 2,6-C5H3N{CH2OP(-OC10H6)}, journal = {Journal of Organometallic Chemistry}, volume = {692}, year = {2007}, month = {MAR}, pages = {1683{\textendash}1689}, type = {Article}, abstract = {

Large bite bisphosphite ligand, 2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2\ (2), is obtained by reacting chlorophosphite, {-OC10H6(μ-S)C10H6O-}PCl (1) with 2,6-pyridinedimethanol in presence of triethylamine.Treatment of\ 2\ with aqueous solution of H2O2\ or elemental sulfur resulted in the formation of bis(oxide) or bis(sulfide) derivatives, 2,6-C5H3N{CH2OP(E)({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2\ (3, E\ =\ O;\ 4, E\ =\ S) in quantitative yield.The 10-membered cationic chelate complex, [RuCl(η6-C10H142-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2PP]Cl (5) is produced in the reaction between [Ru(p-cymene)(μ-Cl)(Cl)]2\ and bisphosphite\ 2, whereas the neutral chelate complex,\ cis-[Rh(CO)Cl{2,6-C5H3N{CH2OP({\textendash}OC10H6(μ-S)C10H6O{\textendash})}2}-κPP] (6) is isolated in the reaction of\ 2\ with 0.5 equiv.of [Rh(CO)2Cl]2.Compound\ 2\ on treatment with M(COD)Cl2\ (M\ =\ Pd, Pt) produce the chelate complexes, [MCl22-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2}-κPP] (7, M\ =\ Pd;10, M\ =\ Pt).Similarly the reaction of bisphosphite\ 2\ with Pd(COD)MeCl affords\ cis-[PdMe(Cl)η2-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2PP] (8).Treatment of\ 2\ with [Pd(η3- C3H5)Cl]2\ in the presence of AgClO4\ furnish the cationic complex, [Pd(η3-C3H52-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2PP]ClO4\ (9). The binuclear complex, [Au2Cl2{2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2}-κPP] (11) is obtained in the reaction of compound\ 2\ with two equiv. of AuCl(SMe2), where the ligand exhibits bridged bidentate mode of coordination. All the complexes are characterized by the\ 1H NMR,\ 31P NMR, elemental analysis and mass spectroscopy data. The cationic ruthenium complex\ 5\ is proved to be an active catalyst for the hydrogenation of styrene and α-methyl styrene.

}, doi = {10.1016/j.jorganchem.2006.12.037}, author = {Punji, Benudhar and Balakrishna, Maravanji S.} } @article { ISI:000252511300009, title = {Low temperature synthesis of magnetite and maghemite nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {12}, year = {2007}, month = {DEC}, pages = {4294-4302}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

We report on the synthesis of iron oxide nanoparticles below 100 degrees C by a simple chemical protocol. The uniqueness of the method lies in the use of Ferrous ammoniurn sulphate (in conjugation with FeCl3) which helps maintain the stability of Fe-2+ state in the reaction sequence thereby controlling the phase formation. Hexamine was added as the stabilizer. The nanoparticles synthesized at three different temperatures viz, 5 degrees, 27 degrees, and 95 degrees C are characterized by several techniques. Generally, when a mixture of Fe3+ and Fe2+ is added to sodium hydroxide, alpha-Fe2O3 (the anti-ferromagnetic phase) is formed after the dehydration process of the hydroxide. In our case however, the phases formed at all the three temperatures were found to be ferro (ferri) magnetic, implying modification of the formation chemistry due to the specifics of our method. The nanoparticles synthesized at the lowest temperature exhibit magnetite phase, while increase in growth temperature to 95 degrees C leads to the maghemite phase.

}, keywords = {low temperature synthesis, maghemite, magnetite, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2007.873}, author = {Bhagwat, Shrikant and Singh, Hema and Athawale, Anjali and Hannoyer, Beatrice and Jouen, Samuel and Lefez, Benoit and Kundaliya, Darshan and Pasricha, Renu and Kulkarni, Shailaja and Ogale, Satishchandra B.} } @article {REDDY, title = {Macroporous beads for lipase immobilization: kinetic resolution of a racemic drug intermediate}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {22}, number = {2}, year = {2007}, month = {MAR}, pages = {174-194}, publisher = {HORTICULTURAL SOC INDIA}, type = {Article}, address = {DIV FRUITS \& HORTICULTURAL TECHNOL, INDIAN AGRICULTURAL RESEARCH INST, NEW DELHI, 110 012, INDIA}, abstract = {

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

}, keywords = {auxin pulse, coco-peat, grape, micropropagation, plantlet survival}, issn = {0972-8538}, author = {Bhushan, Indu and Parshad, Rajinder and Qazi, G. N. and Ingavle, Ganesh C. and Jamalpure, Trupti M. and Rajan, C. R. and Ponrathnam, Surendra and Gupta, V. K.} } @article { ISI: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 {56}, title = {NCL-7, a novel all silica analog of polymorph B rich member of BEA family: synthesis and characterization}, journal = {Microporous and Mesoporous Materials}, volume = {101}, number = {1-2}, year = {2007}, note = {International Symposium on Zeolite and Microporous Crystals (ZMPC 2006), Yonago, JAPAN, JUL 30-AUG 02, 2006}, month = {APR}, pages = {108-114}, publisher = {Japan Assoc Zeolites}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, keywords = {B-polymorph, DIFFaX, Promoter, Reitveld refinement, synthesis, zeolite beta}, issn = {1520-6106}, doi = {10.1016/j.micromeso.2006.10.033}, author = {Kadgaonkar, Mahesh D. and Kasture, Mahesh W. and Bhange, Deu S. and Joshi, Praphulla N. and Ramaswamy, Veda and Kumar, Rajiv} } @article { ISI:000246347900035, title = {Nitration and amination of polyphenylene oxide: synthesis, gas sorption and permeation analysis}, journal = {European Polymer Journal}, volume = {43}, number = {4}, year = {2007}, month = {APR}, pages = {1450-1459}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, keywords = {chalcones; nitrogen heterocycles; pyrazolines; synthetic methods; zwitterions}, doi = {10.1002/anie.200604025}, author = {Nair, Vijay and Biju, Akkattu T. and Mathew, Smitha C. and Eringathodi, Suresh} } @article {42750, title = {O-2-Naphthyl diphenylthiophosphinate}, journal = {Acta Crystallographica Section E-Crystallographic Communications}, volume = {63}, year = {2007}, month = {DEC}, pages = {4644}, type = {Article}, abstract = {

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

}, doi = {10.1107/S1600536807056127}, author = {Mague, Joel T. and Punji, Benudhar and Ganesamoorthy, Chelladurai and Balakrishna, Maravanji S.} } @article {43290, title = {One-step preparation of alpha-chlorostyrenes}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4869-4872}, abstract = {alpha-Chlorostyrenes were prepared via a one-step method involving Friedel-Crafts reaction of various aromatic substrates with acid chlorides in the presence of a heterogeneous Si-Fe catalyst. (c) 2007 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2007.05.065}, author = {Borate, Hanumant B. and Galkwad, Abaji G. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Kalal, Kamalakar M.} } @article { ISI:000250931100037, title = {One-step synthesis of SBA-15 containing tungsten oxide nanoclusters: a chemoselective catalyst for oxidation of sulfides to sulfoxides under ambient conditions}, journal = {Chemical Communications}, number = {45}, year = {2007}, month = {SEP}, pages = {4806-4808}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Tungsten oxide nanoclusters supported highly ordered mesoporous SBA-15 material has been successfully synthesized in a single step using a non-ionic surfactant as a template and used for the selective oxidation of sulfur compounds, giving excellent yields at room temperature with exceptional catalyst recyclability.

}, issn = {1359-7345}, doi = {10.1039/b709459k}, author = {Bordoloi, Ankur and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article {51}, title = {Organotin-oxometalate coordination polymer catalyzed oxyfunctionalization of monoterpenes}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {270}, number = {1-2}, year = {2007}, month = {JUN}, pages = {177-184}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {Heck reaction, kinetics, Palladacycle}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.01.035}, author = {Bordoloi, Ankur and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000248918000008, title = {Oxidation of benzylic alcohols and sulfides over LaCoO3 and TBHP}, journal = {Arkivoc}, number = {1}, year = {2007}, month = {JAN}, pages = {70-75}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

A simple and efficient methodology has been described for the selective oxidation of secondary benzylic alcohols to the corresponding ketones. In contrast, primary benzylic alcohols afforded dimethyl acetals.

}, keywords = {acetals, benzylic alcohols, Oxidation, perovskite LaCoO3}, issn = {1551-7004}, author = {Patil, Mahesh L. and Maujan, Suleman R. and Borate, Hanumant B. and Uphade, Balu S.} } @article { ISI:000251200200017, title = {Oxyfunctionalisation of adamantane using inorganic-organic hybrid materials based on isopoly and heteropoly anions: kinetics and mechanistic studies}, journal = {Applied Catalysis A-General}, volume = {333}, number = {1}, year = {2007}, month = {DEC}, pages = {143-152}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Oxyfunctionalisation of adamantane with 30\% aq.H2O2 in butyronitrile solvent was efficiently catalyzed by inorganic-organic hybrid materials synthesized by the immobilisation of isopoly (WOx = sodium tungstate

}, keywords = {adamantane, inorganic-organic hybrid materials, oxyfunctionalisation, vanadium (V) superoxo intermediate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.09.025}, author = {Bordoloi, Ankur and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article { ISI:000242960400008, title = {Phosphotungstic acid as an efficient solid catalyst for intramolecular rearrangement of benzyl phenyl ether to 2-benzyl phenol}, journal = {Catalysis Communications}, volume = {8}, number = {2}, year = {2007}, month = {FEB}, pages = {139-144}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An heteropoly acid (phosphotungstic acid, PTA) was found to be a promising solid acid catalyst as an alternative to the conventional stoichiometric reagents for the rearrangement of benzyl phenyl ether giving 2-benzyl phenol as a major product and 4-benzyl phenol and dibenzylated phenols as side products. Catalyst was recovered from the reaction mixture and reused again without loss of activity. Based on the observed product distribution for various substrates a plausible catalytic reaction pathway has also been proposed. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {benzyl phenyl ether, Intramolecular rearrangement, Phosphotungstic acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.046}, author = {Bhure, Mahesh H. and Rode, Chandrashekhar V. and Chikate, Rajeev C. and Patwardhan, Neeraj and Patil, Shraddha} } @article { ISI:000247943800041, title = {Preparation and evaluation of cellulose acetate butyrate and poly(ethylene oxide) blend microspheres for gastroretentive floating delivery of repaglinide}, journal = {Journal of Applied Polymer Science}, volume = {105}, number = {5}, year = {2007}, month = {SEP}, pages = {2764-2771}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

In this study, hollow microspheres of cellulose acetate butyrate (CAB) and poly(ethylene oxide) (PEO) were prepared by emulsion-solvent evaporation method. Repaglinide was successfully encapsulated into floating microspheres. Various formulations were prepared by varying the ratio of CAB and PEO, drug loading and concentration of poly(vinyl alcohol) (PVA) solution. Encapsulation of the drug up to 95\% was achieved. The microspheres tend to float over the simulated gastric media for more than 10 h. The micromeritic properties of microspheres reveal the excellent flow and good packing properties. The \% buoyancy of microspheres was found to be up to 87. SEM showed that microspheres have many pores on their surfaces. Particle size ranges from 159 to 601 mu m. DSC and X-RD revealed the amorphous dispersion in the polymer matrix. In vitro release experiments were performed in simulated gastric fluid. In vitro release studies indicated the dependence of release rate on the extent of drug loading and the amount of PEO in the microspheres; slow release was extended up to 12 h. The release data were fitted to an empirical equation to compute the diffusional exponent (n), which indicated that the release mechanism followed the non-Fickian trend. (C) 2007 Wiley Periodicals, Inc.

}, keywords = {cellulose acetate butyrate, Controlled release, floating drug delivery, microspheres, repaglinide}, issn = {0021-8995}, doi = {10.1002/app.26456}, author = {Rokhade, Ajit P. and Patil, Sangamesh A. and Belhekar, Anagha A. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article {42462, title = {Reaction of huisgen zwitterion with diaryl-1,2-diones and ketones: an efficient protocol for carbon-nitrogen bond formation}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {JAN}, pages = {697-704}, type = {Article}, abstract = {

The reaction of Huisgen zwitterion, derived from triphenylphosphine and dialkyl azodicarboxylate, with diaryl-1,2-diones afforded N,N-dicarboalkoxy monohydrazones via a mechanistically novel rearrangement. Cyclic and acyclic ketones furnished vinyl hydrazinedicarboxylates under similar conditions.

}, keywords = {betaines - diazo compounds - hydrazones - ketones - rearrangements}, doi = {10.1055/s-2007-965910}, author = {Nair, Vijay and Biju, Akkattu T. and Mathew, Smitha C.} } @article {42466, title = {Reaction of tpp-azodicarboxylate zwitterions and aldehydes: unprecedented synthesis of acyl carbamates}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {OCT}, pages = {9018{\textendash}9020}, type = {Article}, abstract = {

An efficient synthesis of acyl carbamates from aryl aldehydes by the reaction of triphenylphosphine and dialkyl azoesters is described.

}, doi = {10.1016/j.tetlet.2007.10.092}, author = {Nair, Vijay and Mathew, Smitha C. and Biju, Akkattu T. and Eringathodi, Suresh} } @article {Mueller, title = {Reactions of o-aminothiophenol and o-aminophenyl disulfide with itaconic anhydride and (-)-dimenthyl itaconate: access to enantiomerically pure 1,5-benzothiazepines and benzothiazolyl-2-methylacrylic acid}, journal = {Synthesis-Stuttgart}, number = {3}, year = {2007}, month = {FEB}, pages = {457-463}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

{A facile chemo- and regioselective reactions of o-aminothiophenol (o-ATP) with itaconic anhydride is described. 1,5-Benzothiazepinyl-3-acetic acid is obtained in 81\% yield via the exclusive Michael type addition of the thiol unit from o-ATP to the carbon-carbon double bond in itaconic anhydride followed by an intramolecular anhydride ring opening with an amine unit. The moderately stereoselective Michael type addition of the thiol unit from o-ATP to (-)-dimenthyl itaconate to obtain a mixture of diastereomers in a 7:3 ratio in 82\% yield has been demonstrated. The reductive sulfur-sulfur bond cleavage in the dicarboxylic acid, 2({2-[2-(3-carboxybut-3-enoylamino)phenyidisulfanyl]phenylcarbamoyl\

}, keywords = {Magnetic nanoparticles, magnetic properties, spin glasses}, issn = {0936-5214}, doi = {10.1055/s-2006-958977}, author = {Baag, Md. Merajuddin and Sahoo, Manoj Kumar and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000245961800014, title = {Reduction of oxygen by hydroxylammonium salt or hydroxylamine over supported Au nanoparticles for in situ generation of hydrogen peroxide in aqueous or non-aqueous medium}, journal = {Catalysis Communications}, volume = {8}, number = {5}, year = {2007}, month = {MAY}, pages = {811-816}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Reaction of O-2 with hydroxylamine or its salts over a number of supported gold catalysts containing An nanoparticles (at 10-70 degrees C) has been studied at atmospheric pressure for the in situ generation of H2O2 (required for organic oxidation reactions in the synthesis of fine/specialty chemicals) in aqueous (water) or non-aqueous medium. Hydrogen peroxide in high yields with harmless by-products (viz. water and nitrogen) can be generated in situ by the reduction Of O-2 by hydroxylammonium sulfate (or chloride) or hydroxylamine using the supported gold catalysts particularly Au/Gd2O3, Au/La2O3 and Au/MgO, in aqueous (water) or non-aqueous (viz. methanol) medium at close to ambient conditions. The reduction of O-2 by hydroxylammonium salt to H2O2, however, requires preneutralization of the salt by alkali; in the absence of the neutralization, only water is formed in the reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Au Nanoparticles, Au/Gd2O3, Au/La2O3, Au/MgO, Hydrogen peroxide, hydroxylamine, hydroxylammonium salts, in situ H2O2 generation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.041}, author = {Choudhary, Vasant R. and Jana, Prabhas and Bhargava, Suresh Kumar} } @article { ISI:000250278300038, title = {Role of ionic diffusion in polymer gel mediated growth (PMG) technique for the synthesis of nanoparticulate fillers}, journal = {Materials Chemistry and Physics}, volume = {105}, number = {2-3}, year = {2007}, month = {OCT}, pages = {348-353}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Polymer mediated growth (PMG), which forms an important method for synthesis of nanoparticles, has one of the ions bound by polymer matrix while the other is allowed to diffuse and react to form desired compound. The exact role of ionic diffusion in the formation of nanoparticles has been investigated by taking specific case studies. Typically calcium carbonate, calcium phosphate and calcium sulfate have been formed in nano-size by PMG route using polyacrylamide gel. The extent of cross-linking of the polymer matrix in the formation of gel, affects the diffusivity of ions into polymer matrix and the size of particles formed. The rates of diffusion for different extents of cross-linking of polymer are estimated during the synthesis of nanoparticles using Fick{\textquoteright}s law. The inter-correlation between the particle size formation and the diffusion length has been clearly brought out in these studies. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {ionic diffusion, nanoparticulate fillers, polymeric gels}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2007.04.071}, author = {Sonawane, Pradip S. and Biradar, Santoshkumar S. and Radhakrishnan, S. and Kulkarni, B. D.} } @article {36}, title = {Selective oxidation of anthracene using inorganic-organic hybrid materials based on molybdovanadophosphoric acids}, journal = {Journal of Catalysis}, volume = {247}, number = {2}, year = {2007}, month = {APR}, pages = {166-175}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

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

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

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

}, issn = {0959-9436}, doi = {10.1016/j.mencom.2007.01.011}, author = {Bhattacharya, Asish K. and Pathak, Ashish K. and Sharma, Ram P.} } @article { ISI:000243365800018, title = {Simple and efficient synthesis of thysanone methyl ether}, journal = {Tetrahedron}, volume = {63}, number = {1}, year = {2007}, month = {JAN}, pages = {166-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {human pathogen, Michael addition, orsellinate derivative, semivioxanthin}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.10.038}, author = {Bulbule, Vivek J. and Koranne, Priti S. and Deshpande, Vishnu H. and Borate, Hanumant B.} } @article {42464, title = {Stereoselective synthesis of 3,4-trans-disubstituted γ-lactams by cerium(iv) ammonium nitrate mediated radical cyclization of cinnamamides}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {MAR}, pages = {1179-1184}, type = {Article}, abstract = {

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

}, keywords = {cerium(IV) ammonium nitrate - intramolecular cyclization - cinnamamides - single electron transfer - γ-lactams}, doi = {10.1055/s-2007-965981}, author = {Nair, Vijay and Mohanan, Kishor and Suja, Tachapully D. and Biju, Akkattu T.} } @article { ISI:000244820500020, title = {Strain improvement of penicillium janthinellum ncim 1171 for increased cellulase production}, journal = {Bioresource Technology}, volume = {98}, number = {7}, year = {2007}, month = {MAY}, pages = {1467-1473}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {2-deoxy-D-glucose resistant mutants, cellulase activity, EMS and ultraviolet mutation, Penicillium janthinellum}, issn = {0960-8524}, doi = {10.1016/j.biortech.2006.02.036}, author = {Adsul, Mukund G. and Bastawade, Kulbhushan B. and Varma, Anjanikumar and Gokhale, D. V.} } @article { ISI:000243765100017, title = {Swelling and mechanical behavior of modified poly(vinyl alcohol)/laponite nanocomposite membranes}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {5}, year = {2007}, month = {MAR}, pages = {2896-2903}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Dynamic mechanical analysis, laponite, membranes, nanocomposite hydrogel, poly(vinyl alcohol)}, issn = {0021-8995}, doi = {10.1002/app.25469}, author = {Nair, Shubhangi H. and Pawar, Kiran C. and Jog, Jyoti Prakash and Badiger, Manohar V.} } @article { ISI:000250387000005, title = {Synergistic effect of CPPU and benzyladenine on embryo rescue in six. stenospermocarpic cultivars of grapevine}, journal = {Vitis}, volume = {46}, number = {4}, year = {2007}, month = {JAN}, pages = {188-191}, publisher = {BUNDESANSTALT ZUCHTUNGS FORSCHUNG KULTURPFLANZEN}, type = {Article}, address = {INST REBENZUCHTUNG GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {

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

}, keywords = {benzyladenine, CPPU, embryo rescue, seedless grapes}, issn = {0042-7500}, author = {Nookaraju, A. and Barreto, M. S. and Karibasappa, G. S. and Agrawal, Dinesh C.} } @article { ISI:000250399300012, title = {Synthesis and characterization of NCL-5, NCL-6 and NCL-7: new zeolites enriched with polymorph B of the BEA family}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {BEA family, NCL-5, NCL-6, NCL-7, polymorph B enrichment, synthesis, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.063}, author = {Kadgaonkar, Mahesh D. and Kasture, Mahesh W. and Bhange, Deu S. and Joshi, Praphulla N. and Ramaswamy, Veda and Gupta, Narendra M. and Kumar, Rajiv} } @proceedings { ISI:000291657600051, title = {Synthesis and characterization of value added catalysts zeolite beta using environmentally detrimental flyash}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {438-443}, publisher = {Elsevier Science BV}, address = {Beijing, Peoples R China}, abstract = {

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

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Kasture, M. W. and Bokade, Vijay V. and Joshi, P. N. and Kumar, R.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000245634500005, title = {Synthesis and evaluation of 4/5-hydroxy-2,3-diaryl(substituted)-cyclopent-2-en-1-ones as cis-restricted analogues of combretastatin A-4 as novel anticancer agents}, journal = {Journal of Medicinal Chemistry}, volume = {50}, number = {8}, year = {2007}, month = {APR}, pages = {1744-1753}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {Antifungal activity, antiproliferative activity, arylidenemalononitriles, arylquinoline carbonitrile, Michael addition}, issn = {0968-0896}, doi = {10.1016/j.bmc.2007.08.009}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Kumari, Ratna and Bhat, Manoj Kumar and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article {Hung, title = {Synthesis of Bio-diesel and Bio-lubricant by transesterification of vegetable oil with lower and higher alcohols over heteropolyacids supported by clay (K-10)}, journal = {Process Safety and Environmental Protection}, volume = {85}, number = {B5}, year = {2007}, note = {Theoretical Chemistry Symposium 2006 (TCS 2006), Bharathidasan Univ, Trichy, INDIA, DEC 11-13, 2006}, month = {SEP}, pages = {372-377}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {coprecipitation, lithium aluminate, Microemulsion, Nanoparticles, sol-gel, Surfactants}, issn = {0167-577X}, author = {Bokade, Vijay V. and Yadav, G. D.} } @article {33}, title = {Synthesis of pharmaceutical intermediates by toluene benzylation over heteropoly acids on different support}, journal = {Journal of Natural Gas Chemistry}, volume = {16}, number = {2}, year = {2007}, note = {International Conference on Nano Science and Technology (ICONSAT 2006), New Delhi, INDIA, MAR 16-18, 2006}, month = {JUN}, pages = {186-192}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {heteroassembly, nanoplates, polyfunctional capping agents, shape selective synthesis of gold-silver nanostructures, surface confinement}, issn = {1533-4880}, doi = {10.1016/S1003-9953(07)60046-2}, author = {Bokade, Vijay V. and Yadav, G. D.} } @article {12}, title = {Synthesis, structure, and reactivity of diazoketiminato complexes of platinum(II) and palladium(II): cytotoxic properties of a platinum complex}, journal = {European Journal of Inorganic Chemistry}, volume = {7}, number = {27}, year = {2007}, note = {19th International Symposium on Chemical Reaction Engineering (ISCRE 19), Pottsdam, GERMANY, SEP, 2006}, month = {SEP}, pages = {4272-4281}, publisher = {BASF; Bayer AG; Cargill bvba; Clariant Produkte GmbH; Degussa AG; Schering AG; Siemens AG; SOLVAY GmbH; UHDE GmbH; UHDE Inventa Fischer GbbH}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, keywords = {CFD, hydro processing, scale-down, scale-up, trickle bed}, issn = {1528-7483}, doi = {10.1021/cg070194v}, author = {Pratihar, Jahar Lal and Shee, Biswaranjan and Pattanayak, Poulami and Patra, Debprasad and Bhattacharyya, Arindam and Puranik, Vedavati G. and Hung, C. H. and Chattopadhyay, Surajit} } @article { ISI:000250647000072, title = {Template-assisted synthesis of ruthenium oxide nanoneedles: electrical and electrochemical properties}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {44}, year = {2007}, month = {NOV}, pages = {16593-16600}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We here demonstrate the formation of bundles of RuO2 nanoneedles (ca. 100 nm diameter) by a templateassisted electrodeposition from aqueous RuCl3 solution under potentiostatic conditions at room temperature. Cyclic voltammetric measurements in 0.5 M H2SO4 show significantly higher redox-related charging behavior for the RuO2 nanoneedles compared to that of the commercial sample, which is also supported by the electrochemical impedance data. A comparison of the specific capacitance reveals a higher value for nanoneedles (3 F/g instead of 0.4 F/g for the bulk), which has been explained on the basis of enhanced reactivity. More interestingly, electrical transport measurements reveal a transition from metallic to semiconducting behavior especially at low-temperature caused by an impurity scattering mechanism. We anticipate that the present simple route for the fabrication of RuO2 nanostructures will be useful to exploit their potentials in various fields such as electrocatalysis, nanoelectronics, and more importantly for designing supercapacitors.

}, issn = {1932-7447}, doi = {10.1021/jp0744836}, author = {Subhramannia, Mahima and Balan, Beena K. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000245842600009, title = {Thermal stability of the Mobil Five type metallosilicate molecular sieves - an in situ high, temperature X-ray diffraction study}, journal = {Materials Research Bulletin}, volume = {42}, number = {5}, year = {2007}, month = {MAY}, pages = {851-860}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We have carried out in situ high temperature X-ray diffraction (HTXRD) studies of silicalite-1 (S-1) and metallosilicate molecular sieves containing iron, titanium and zirconium having Mobil Five (MFI) structure (iron silicalite-1 (FeS-1), titanium silicalite-1 (TS-1) and zirconium silicalite-1 (ZrS-1), respectively) in order to study the thermal stability of these materials. Isomorphous substitution of Si4+ by metal atoms is confirmed by the expansion of unit cell volume by X-ray diffraction (XRD) and the presence of Si-O-M stretching band at similar to 960 cm(-1) by Fourier transform infrared (FTIR) spectroscopy. Appearance of cristobalite phase is seen at 1023 and 1173 K in S-1 and FeS-1 samples. While the samples S-1 and FeS-1 decompose completely to cristobalite at 1173 and 1323 K, respectively, the other two samples are thermally stable upto 1623 K. This transformation is irreversible. Although all materials show a negative lattice thermal expansion, their lattice thermal expansion coefficients vary. The thermal expansion behavior in all samples is anisotropic with relative strength of contraction along {\textquoteleft}a{\textquoteright} axes is more than along {\textquoteleft}b{\textquoteright} and V axes in S- 1, TS-1, ZrS-1 and vice versa in FeS-1. Lattice thermal expansion coefficients (alpha(v)) in the temperature range 298-1023 K were -6.75 x 10(-6) K-1 for S-1, -12.91 x 10(-6) K-1 for FeS-1, -16.02 x 10(-6) K-1 for TS-1 and -17.92 x 10(-6) K-1 for ZrS-1. The highest lattice thermal expansion coefficients (alpha(v)) obtained were -11.53 x 10(-6) K-1 for FeS-1 in temperature range 298-1173 K, -20.86 x 10(-6) K-1 for TS-1 and -25.54 x 10(-6) K-1 for ZrS-1, respectively, in the temperature range 298-1623 K. Tetravalent cation substitution for Si4+ in the lattice leads to a high thermal stability as compared to substitution by trivalent cations. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {microporous materials, Thermal expansion, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2006.08.024}, author = {Bhange, Deu S. and Ramaswamy, Veda} } @article {42754, title = {Thioether-functionalized ferrocenyl-bis(phosphonite), Fe{(C5H4)P(-OC10H6(μ-S)C10H6O-)}2: synthesis, coordination behavior, and application in suzuki-miyaura cross-coupling reactions}, journal = {Inorganic Chemistry}, volume = {46}, year = {2007}, month = {OCT}, pages = {10268{\textendash}10275}, type = {Article}, abstract = {

The thioether-functionalized metalloligand ferrocenyl-bis(phosphonite), Fe(C5H4PR)2 (4, R = -OC10H6(μ-S)C10H6O-) is synthesized in three steps starting from ferrocene, and its coordination behavior toward various transition-metal derivatives is described. The reactions of 4 with [Rh(CO)2Cl]2 or M(COD)Cl2 afforded the chelate complexes, cis-[Rh(CO)Cl{Fe(C5H4PR)2-κP,κP}] (5) or cis-[MCl2{Fe(C5H4PR)2-κP,κP}] (6, M = PdII; 7, M = PtII), respectively. However, treatment of 4 with CuX (X = Cl, Br, and I) produces binuclear complexes, [Cu2(μ-X)2(MeCN){Fe(C5H4PR)2-κP,κP}] (8, X = Cl; 9, X = Br; 10, X = I) where the sulfur atom on one side of the ligand is involved in a weak interaction with the copper center. Reaction of 4 with 1 equiv of Ag(PPh3)OTf gives the mononuclear chelate complex [Ag(OTf)PPh3{Fe(C5H4PR)2-κP,κP}] (11), whereas treatment with 2 equiv of AuCl(SMe2) produces the dinuclear gold complex [Au(Cl){Fe(C5H4PR)2-κP,κP}Au(Cl)] (12). The crystal structures of 10 and 12 are reported, where a strong metallophilic interaction is observed between the closed-shell metal centers. The palladium complex 6 catalyzes the Suzuki cross-coupling reactions of aryl bromides with phenylboronic acid with excellent turnover numbers (TON up to 1.36 {\texttimes} 105).

}, doi = {10.1021/ic701537k}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article {40}, title = {Toluene alkylation with methanol to p-xylene over heteropoly acids supported by clay}, journal = {Journal of Natural Gas Chemistry}, volume = {16}, number = {1}, year = {2007}, month = {MAR}, pages = {42-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{The alkylation of toluene with methanol for the selective formation of p-xylene was systematically studied. Very few studies have been reported on the use of superacids such as heteropolyacids on cheap supports, such as clay. This article deals with the use of different heteropoly acids (HPAs), viz, Dodeca-Tungstophosphoric acid [

}, keywords = {co-crystalline, p-xylene, toluene alkylation, ZSM-12, ZSM-5}, issn = {1003-9953}, doi = {10.1016/S1003-9953(07)60024-3}, author = {Bokade, Vijay V. and Deshpande, Suvarna S. and Patil, R. and Jain, S. and Yadav, G. D.} } @article {42816, title = {Total syntheses of schulzeines B and C}, journal = {Journal of Organic Chemistry}, volume = {72}, year = {2007}, month = {AUG}, pages = {6591-6594}, type = {Article}, abstract = {

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

}, keywords = {Alpha-Glucosidase Inhibitors; Asymmetric Dihydroxylation; Adjuvant Activity; Pinellic Acid; Ketones; Reduction; Reagents; Configuration; Imbricatine;Alkaloids}, doi = {10.1021/jo070560h}, author = {Gurjar, Mukund K. and Pramanik, Chinmoy and Bhattasali, Debabrata and Ramana, Chepuri V. and Mohapatra, Debendra K.} } @article { ISI:000249949800021, title = {Transesterification of alpha-haloesters and beta-ketoesters over Mg-Al-hydrotalcites (HT)-like anionic clays}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {276}, number = {1-2}, year = {2007}, month = {OCT}, pages = {158-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {alpha-haloesters, beta-ketoesters, heterogeneous catalyst, Hydrotalcites, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.006}, author = {Bulbule, Vivek J. and Borate, Hanumant B. and Munot, Yogesh S. and Deshpande, Vishnu H. and Sawargave, Sangmeshwer P. and Gaikwad, Abaji G.} } @article { ISI:000245736400045, title = {Zirconia enrichment in zircon sand by selective fungus-mediated bioleaching of silica}, journal = {Langmuir}, volume = {23}, number = {9}, year = {2007}, month = {APR}, pages = {4993-4998}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

One of the important routes for the production of zirconia is by chemical treatment and removal of silica from zircon sand (ZrSixOy). We present here a completely green chemistry approach toward enrichment of zirconia in zircon sand; this is based on the reaction of the fungus Fusarium oxysporum with zircon sand by a process of selective extracellular bioleaching of silica nanoparticles. Since this reaction does not result in zirconia being simultaneously leached out from the sand, there is a consequent enrichment of the zirconia component in zircon sand. We believe that fungal enzymes specifically hydrolyze the silicates present in the sand to form silicic acid, which on condensation by certain other fungal enzymes results in room-temperature synthesis of silica nanoparticles. This fungus-mediated twofold approach might have vast commercial implications in low-cost, ecofriendly, room-temperature syntheses of technologically important oxide nanomaterials from potentially cheap naturally available raw materials like zircon sand.

}, issn = {0743-7463}, doi = {10.1021/la062535x}, author = {Bansal, Vipul and Syed, Asad and Bhargava, Suresh Kumar and Ahmad, Absar and Sastry, Murali} } @article { ISI:000259509600003, title = {Albumin competitively inhibits glycation of less abundant proteins}, journal = {Protein and Peptide Letters}, volume = {15}, number = {7}, year = {2008}, month = {JUL}, pages = {663-667}, publisher = {BENTHAM SCIENCE PUBL LTD}, type = {Article}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Glycation, a non-enzymatic reaction between glucose and protein is the primary cause of diabetic complications. Albumin, the most abundant plasma protein undergoes glycation both in vivo and in vitro. The influence of albumin on glycation of less abundant proteins has not been addressed. For the first time, we show that albumin competitively inhibits the glycation of less abundant proteins. This study suggests that at least in the initial stages of diabetes, albumin may protect other proteins from glycation.

}, keywords = {Diabetes, glucose, insulin, MALDI-TOF-MS, vascular complication}, issn = {0929-8665}, doi = {10.2174/092986608785133690}, author = {Bhonsle, Hemangi S. and Singh, Sameer Kumar and Srivastava, Ghanshyam and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000255318800025, title = {Amberlite-IR 120 catalyzed three-component synthesis of alpha-amino phosphonates in one-pot}, journal = {Tetrahedron Letters}, volume = {49}, number = {16}, year = {2008}, month = {APR}, pages = {2598-2601}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple, efficient, and environmentally benign method for a three-component reaction of an amine, an aldehyde or a ketone, and diethyl phosphite catalyzed by Amberlite-IR 120 resin has been developed to afford alpha-amino phosphonates in high yields and short reaction times under solvent-free reaction conditions. The major advantages of the present method are good yields, inexpensive, ecofriendly and reusable catalyst, mild and solvent-free reaction conditions and tolerance towards various functionalities present in the substrates. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, alkyl phosphite, alpha-amino phosphonates, amines, ion-exchange resin, multi-component reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.02.102}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C.} } @article { ISI:000256583100002, title = {Analysis of reactive oxygen species and antioxidant defenses in complex I deficient patients revealed a specific increase in superoxide dismutase activity}, journal = {Free Radical Research}, volume = {42}, number = {5}, year = {2008}, month = {MAY}, pages = {415-427}, publisher = {INFORMA HEALTHCARE}, type = {Article}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {

The mechanism of free radical production by complex I deficiency is ill-defined, although it is of significant contemporary interest. This study studied the ROS production and antioxidant defenses in children with mitochondrial NADH dehydrogenase deficiency. ROS production has remained significantly elevated in patients compared to controls. The expression of all antioxidant enzymes significantly increased at mRNA level. However, the enzyme activities did not correlate with high mRNA or protein expression. Only the activity of superoxide dismutase (SOD) was found to correlate with higher mRNA expression in patient derived cell lines. The activities of the enzymes such as glutathione peroxidase (GPx), Catalase (CAT) and glutathione-S-transferase (GST) were significantly reduced in patients (p \< 0.05 or p \< 0.01). Glutathione reductase (GR) activity and intracellular glutathione (GSH) levels were not changed. Decreased enzyme activities could be due to post-translational or oxidative modification of ROS scavenging enzymes. The information on the status of ROS and marking the alteration of ROS scavenging enzymes in peripheral lymphocytes or lymphoblast cell lines will provide a better way to design antioxidant therapies for such disorders.

}, keywords = {antioxidant enzymes, mitochondrial complex I, mitochondrial myopathies, Reactive Oxygen Species (ROS)}, issn = {1071-5762}, doi = {10.1080/10715760802068571}, author = {Wani, Aijaz A. and Rangrez, Ashraf Y. and Kumar, Himanshu and Bapat, Sharmila A. and Suresh, C. G. and Barnabas, Shama and Patole, Milind S. and Shouche, Yogesh} } @article { ISI:000256073500012, title = {Bacterial synthesis of silicon/silica nanocomposites}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {22}, year = {2008}, month = {APR}, pages = {2601-2606}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis of silicon/silica nanoparticle composites by the bacterium Actinobacter sp. is demonstrated. More specifically, the formation of silicon/silica nanocomposite is shown to occur when the bacterium is exposed to K(2)SiF(6) precursor under ambient conditions. Based on the earlier reports where this bacterium has been shown to synthesize iron oxide and iron sulfide nanoparticles, it is hypothesized that this bacterium secretes reductases and oxidising enzymes, which lead to the Si/SiO(2) nanocomposite synthesis. The particles obtained by bacterial synthesis were thoroughly characterized. The cytotoxicity studies revealed that the particles do not display any cytotoxicity to human skin cells. The synthesis of silica nanoparticles by bacteria in the present study demonstrates the versatility of the organism, and the formation of elemental silicon by this environmentally friendly process expands further the scope of microorganism based nanomaterial synthesis.

}, issn = {0959-9428}, doi = {10.1039/b719528a}, author = {Singh, Sanjay and Bhatta, Umananda M. and Satyam, P. V. and Dhawan, Alok and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000256232900024, title = {Bacteria-mediated precursor-dependent biosynthesis of superparamagnetic iron oxide and iron sulfide nanoparticles}, journal = {Langmuir}, volume = {24}, number = {11}, year = {2008}, month = {JUN}, pages = {5787-5794}, publisher = {AMER CHEMICAL SOC}, type = {Article}, chapter = { }, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The bacterium Actinobacter sp. has been shown to be capable of extracellularly synthesizing iron based magnetic nanoparticles, namely maghemite (gamma-Fe2O3) and greigite (Fe3S4) Under ambient conditions depending on the nature of precursors used. More precisely, the bacterium synthesized maghemite when reacted with ferric chloride and iron sulfide when exposed to the aqueous solution of ferric chloride-ferrous sulfate. Challenging the bacterium with different metal ions resulted in induction of different proteins, which bring about the specific biochemical transformations in each case leading to the observed products. Maghemite and iron sulfide nanoparticles show superparamagnetic characteristics as expected. Compared to the earlier reports of magnetite and greigite synthesis by magnetotactic bacteria and iron reducing bacteria, which take place strictly under anaerobic conditions, the present procedure offers significant advancement since the reaction occurs under aerobic condition. Moreover, reaction end products can be tuned by the choice of precursors used.

}, issn = {0743-7463}, doi = {10.1021/la704019p}, author = {Bharde, Atul A. and Parikh, Rasesh Y. and Baidakova, Marina and Jouen, Samuel and Hannoyer, Beatrice and Enoki, Toshiaki and Bhagavatula L. V. Prasad and Shouche, Yogesh S. and Ogale, Satishchandra B. and Sastry, Murali} } @article { ISI:000259876700012, title = {Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies}, journal = {Journal of Chemical Physics}, volume = {129}, number = {13}, year = {2008}, month = {OCT}, pages = {134111}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Vibrational excited state energies have been calculated using vibrational coupled cluster linear response theory (CCLRT). The method has been implemented on formaldehyde and water molecule. Convergence studies have been shown with varying the cluster operator from S(4) to S(6) as well as the excitation operator from four bosons to six bosons. A good agreement with full configuration interaction results has been observed with S(6) truncation at coupled-cluster method level and six bosonic excitations at CCLRT level. (C) 2008 American Institute of Physics.

}, issn = {0021-9606}, doi = {10.1063/1.2982502}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga} } @article { ISI:000258059800003, title = {Capsaicin: preclinical and clinical studies}, journal = {Plant Archives}, volume = {8}, number = {1}, year = {2008}, month = {APR}, pages = {7-11}, publisher = {R S YADAV}, type = {Article}, address = {606-2 S CIVIL LINES, MUZAFFARNAGAR, 251 001, INDIA}, abstract = {

Drugs obtained from plant sources occupy important position in different pharmacopoeias. Many of the life saving drugs in the present day allopathic system are obtained from plant origin only. Extensive scientific research on capsaicin, a natural compound, pungent principle, present in the fruits of plant Capsicum anum, has been performed. In preclinical studies capsaicin shows lipid lowering by stimulating its metabolism, gastroprotection against aspirin and ethanol induced ulcers. Capsaicin in rodents shows anticancer activity against NKK induced lung and liver cancer. It also exhibits antidiabetic, antimicrobial, anti-inflammatory and antioxidant properties in rodents. In clinical studies Capsaicin shows gastroprotection in healthy volunteers. In double blind studies capsaicin proved to be useful in skin disorders against prutitic psoriasis and prurigo nodularis with randomized double blind studies. It also exhibits good analgesic activity against post-therapeutic neuralgia, osteo-arthritis, rheumatoid arthritis and diabetic neuropathy. Capsaicin is fairly safe with oral dose 0.5-1.0 mg/kg.

}, keywords = {capsaicin, Capsicum anum, clinical studies, preclinical}, issn = {0972-5210}, author = {Qureshi, Absar A. and Qureshi, Azfar A. and Omer, Shaista and Sanghai, Dhirendra B. and Setty, S. R. and Bhajipale, N. S.} } @article {42461, title = {Carbon-nitrogen bond-forming reactions of dialkyl azodicarboxylate: a promising synthetic strategy}, journal = {Chemistry an Asian Journal}, volume = {3}, year = {2008}, month = {MAY}, pages = {810{\textendash}820}, type = {Article}, abstract = {

Azodicarboxylates have found applications in electrophilic amination reactions and in pericyclic reactions. The nucleophilic trigger in Mitsunobu reactions, that is, the zwitterion formed from triphenylphosphine and dialkyl azodicarboxylate, has been utilized recently in various heterocyclic constructions. This Focus Review summarizes the potential utility of azodicarboxylates in various carbon{\textendash}nitrogen bond-forming reactions.

}, keywords = {amination reactions; azodicarboxylates; C[BOND]N bond formation; heterocycles; Huisgen zwitterion}, doi = {10.1002/asia.200700341}, author = {Nair, Vijay and Biju, Akkattu T. and Mathew, Smitha C. and Pattoorpadi, Beneesh Babu} } @article { ISI:000253497900006, title = {Cellular polyamines influence maturation and germination of somatic embryos from pro-embryonal masses of two grapevine cultivars}, journal = {Vitis}, volume = {47}, number = {1}, year = {2008}, month = {JAN}, pages = {31-34}, publisher = {BUNDESANSTALT ZUCHTUNGS FORSCHUNG KULTURPFLANZEN}, type = {Article}, address = {INST REBENZUCHTUNG GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {

Somatic embryos of grapevine multiply repeatedly and often fail to mature and germinate due to factors like dormancy and embryo teratology. The present investigation was carried out to improve the maturation and germination of somatic embryos from pro-embryonal masses (PEM) of 2A-Clone and {\textquoteleft}Crimson Seedless{\textquoteright}, two seedless grapevine cultivars. Also, the aim was to study a correlation between cellular and residual polyamine (PA) levels in PEM and culture media. The efficiency of maturation and germination of embryos from PEM varied significantly between the two cultivars and depended on incubation period and type of PAs in the medium. HPLC analysis showed that higher levels of cellular putrescine in PEM had correlation with maturation and germination percentages in both cultivars. The levels of three PAs depleted in the media rapidly indicating its uptake by PEM. Of the three PAs, putrescine (PUT) was the most effective and resulted in 100.0 or 92.0 \% maturation at 14 d or 30 d in 2A-Clone or {\textquoteleft}Crimson Seedless{\textquoteright}, respectively. The maximum germination of somatic embryos was recorded with PUT at 14 d or 21 d in 2A-Clone or {\textquoteleft}Crimson Seedless{\textquoteright}, respectively.

}, keywords = {germination, Grapevine, maturation, polyamines, {\textquoteleft}2A-Clone{\textquoteright}, {\textquoteleft}Crimson Seedless{\textquoteright}}, issn = {0042-7500}, author = {Nookapaju, A. and Barreto, M. S. and Agrawal, Dinesh C.} } @article { ISI:000253283700034, title = {Chemical inhomogeneity and mixed-state ferromagnetism in diluted magnetic semiconductor Co : TiO2}, journal = {Chemistry of Materials}, volume = {20}, number = {4}, year = {2008}, month = {FEB}, pages = {1344-1352}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Diluted magnetic semiconductors (DMS) are among the most intensely investigated materials in recent times in view of their great application potential. Yet, they are also the most controversial because of the possibility of extrinsic effects attributable to dopant solubility and clustering, point defects, incorporation of unintentional impurities, etc. This has highlighted the central role of materials chemistry in rendering a specific microstate and property response. In this work, we provide a combined window of high-resolution scanning transmission electron microscopy and electron energy-loss spectrometry, X-ray absorption (XAS)/X-ray magnetic circular dichroism (XMCD), and magnetization measurements on epitaxial rutile CoxTi1-xO2 (x = 0-0.06) system (the first discovered oxide-DMS, which continues to be controversial) grown at low temperature (400 degrees C) under different ambient atmospheres. The study brings out a mixed-state scenario of ferromagnetism involving intrinsic DMS (uniform dopant distribution at low dopant concentration) and coupled cluster magnetism, involving cobalt associations within the matrix at higher concentrations. We also show that by matrix valence control during growth, it is possible to realize a uniform embedded cluster state and the related coupled cluster magnetism.

}, issn = {0897-4756}, doi = {10.1021/cm702089z}, author = {Ogale, Satishchandra B. and Kundaliya, Darshan and Mehraeen, Shareghe and Fu, Lian-feng and Zhang, Shixiong and Lussier, Alexandre and Dvorak, Joe and Browning, Nigel D. and Idzerda, Yves and Venkatesan, Thirumalai} } @article { ISI:000252416000015, title = {Co : CdS diluted magnetic semiconductor nanoparticles: radiation synthesis, dopant-defect complex formation, and unexpected magnetism}, journal = {Chemistry of Materials}, volume = {20}, number = {2}, year = {2008}, month = {JAN}, pages = {440-446}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm702118w}, author = {Bogle, Kashinath A. and Ghosh, Saurabh and Dhole, Sanjay D. and Bhoraskar, Vasant N. and Fu, Lian-feng and Chi, Miao-Fang and Browning, Nigel D. and Kundaliya, Darshan and Das, Gour P. and Ogale, Satishchandra B.} } @article { ISI:000253642200008, title = {Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts}, journal = {CrystEngComm}, volume = {10}, number = {3}, year = {2008}, month = {FEB}, pages = {288-296}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1466-8033}, doi = {10.1039/b712528c}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000252815300072, title = {Development of nanofibrous morphology in LDPE/LLDPE/PP blends and its effect on mechanical properties of blend films}, journal = {Journal of Applied Polymer Science}, volume = {107}, number = {6}, year = {2008}, month = {MAR}, pages = {4005-4012}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {linear low density polyethylene, low density polyethylene, mechanical properties, melt-extruded films, nanofibrous morphology, polypropylene, ternary blends}, issn = {0021-8995}, doi = {10.1002/app.27630}, author = {Sonawane, Pradip S. and Radhakrishnan, S. and Bhangale, J. A. and Gadhavi, A. L. and Khare, Anagha} } @article { ISI:000260290900014, title = {Diastereoselective addition of planar N-heterocycles to vinyl sulfone-modified carbohydrates: a new route to isonucleosides}, journal = {Tetrahedron}, volume = {64}, number = {45}, year = {2008}, month = {NOV}, pages = {10406-10416}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Michael-type addition reactions of planar N-heterocycles at the C-2 positions of vinyl sulfone-modified carbohydrates provide an efficient and general route for the carbon-N-heterocycle bond formation. Therefore, the addition pattern of planar heterocycles, such as imidazole, triazole, thymine, and adenine to 3-C-phenyisulfonyl-hex-2-enopyranosides (1 alpha/1 beta) and 3-C-p-toluenesulfonyl-pent-2-enofuranosides (2 alpha/2 beta) was studied for developing a general methodology for the synthesis of new classes of isonucleosides possessing a carbon-N-heterocycle linkage at C-2 positions of furanosyl and pyranosyl sugars. To a great extent, the anomeric configurations of the starting vinyl sulfones play crucial roles in deciding the diastereoselectivity of addition of heterocycles. However, the trityl protected 3-C-p-toluenesulfonyl-hex-2-enopyranosides (33 alpha/33 beta) were judged to be More practical starting materials for desulfortylation and deprotection for the synthesis of a new class of thymine and adenine deoxyisonucleosides. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.08.050}, author = {Sanki, Aditya K. and Bhattacharya, Rahul and Atta, Ananta Kumar and Suresh, Cheravakkattu G. and Pathak, Tanmaya} } @article { ISI:000261558700024, title = {Digestive duet: midgut digestive proteinases of manduca sexta ingesting nicotiana attenuata with manipulated trypsin proteinase inhibitor expression}, journal = {Plos One}, volume = {3}, number = {4}, year = {2008}, month = {APR}, pages = {e2008}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA}, abstract = {

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

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0002008}, author = {Zavala, Jorge A. and Giri, Ashok P. and Jongsma, Maarten A. and Baldwin, Ian T.} } @article { ISI:000259412500020, title = {Direct H(2)-to-H(2)O(2) oxidation in aqueous acidic medium containing Br promoter over Pd/Al(2)O(3) and Pd/C catalysts thermally pretreated under different conditions}, journal = {Catalysis Letters}, volume = {125}, number = {3-4}, year = {2008}, month = {OCT}, pages = {296-301}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Influence of thermal pretreatments (under N(2), air or H(2) gas atmosphere at 500 degrees C or 700 degrees C) has been investigated for the Pd/Al(2)O(3) and Pd/Carbon catalysts in terms of its effect on their Pd particle size and performance in the H(2)-to-H(2)O(2) oxidation and H(2)O(2) destruction (by decomposition and/or hydrogenation) reactions in aqueous acidic medium containing Br promoter. The influence on the net H(2)O(2) formation is found to depend strongly upon the catalyst support due to support-Pd cluster interactions. For both the catalysts, the thermal treatments (except in air) caused a large increase in their Pd particle size. The increase in Pd particle size caused an increase in the H(2)O(2) formation activity of Pd/Al(2)O(3) but a decrease in the H(2)O(2) formation activity of Pd/C.

}, keywords = {Hydrogen peroxide, oxidation of H(2) to H(2)O(2), Pd/Al(2)O(3), Pd/C}, issn = {1011-372X}, doi = {10.1007/s10562-008-9482-9}, author = {Choudhary, Vasant R. and Jana, Prabhas and Bhargava, Suresh Kumar} } @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:000255686900001, title = {Effect of gold dispersion on the photocatalytic activity of mesoporous titania for the vapor-phase oxidation of acetone}, journal = {International Journal of Photoenergy}, year = {2008}, month = {JAN}, pages = {Article No. 789149}, publisher = {HINDAWI PUBLISHING CORPORATION}, type = {Article}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {

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

}, issn = {1110-662X}, doi = {10.1155/2008/789149}, author = {Awate, S. V. and Belhekar, Anagha A. and Bhagwat, S. V. and Kumar, R. and Gupta, N. M.} } @article { ISI:000256410700035, title = {Effect of sintering conditions and microstructure on the magnetostrictive properties of cobalt ferrite}, journal = {Journal of the American Ceramic Society}, volume = {91}, number = {6}, year = {2008}, month = {JUN}, pages = {1976-1980}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

The effects of sintering temperature and dwell time on the magnetostrictive properties of polycrystalline cobalt ferrite synthesized by the conventional ceramic method have been investigated. The present study showed that the magnitude of magnetostriction strongly depends on the microstructure of the final sintered product. The presence of small and uniform grains with less porous structure in the sintered material leads to enhancement of the magnetostrictive strain. Higher magnetostriction is obtained for samples sintered at a relatively lower temperature of 1100 degrees C. These results are further corroborated by analyzing the effect of some additives during sintering on the microstructural and magnetostrictive properties.

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2008.02367.x}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000252339100015, title = {Efficient method for the synthesis of acylals from aldehydes under solvent-free conditions catalyzed by antimony trichloride}, journal = {Synthetic Communications}, volume = {38}, number = {1}, year = {2008}, month = {MAY}, pages = {128-134}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A mild and efficient method has been developed for the preparation of acylals from aldehydes catalyzed by antimony trichloride under solvent-free conditions in very good to excellent yields. The easy availability, low cost, and ease of handling of the catalyst make this procedure especially attractive for large-scale synthesis.

}, keywords = {acetic anhydride, Acylals, aldehydes, antimony trichloride, solvent-free conditions}, issn = {0039-7911}, doi = {10.1080/00397910701651284}, author = {Bhattacharya, Asish K. and Mujahid, Mohammad and Natu, Arvind A.} } @article { ISI:000253042200004, title = {Facile and highly selective deprotection of tert-butyldimethyl silyl ethers using sulfated SnO2 as a solid catalyst}, journal = {Synthetic Communications}, volume = {38}, number = {3}, year = {2008}, month = {JAN}, pages = {346-353}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Highly selective deprotection of tert-butyldimethylsilyl ethers at room temperature has been described using sulfated SnO2 as an efficient solid catalyst.

}, keywords = {deprotection, sulfated SnO2, TBDMS ethers}, issn = {0039-7911}, doi = {10.1080/00397910701767056}, author = {Bhure, Mahesh H. and Kumar, Indresh and Natu, Arun D. and Rode, Chandrashekhar V.} } @article { ISI:000259420300006, title = {Facile synthesis and gas sensing properties of nanotriangular tin oxide}, journal = {Materials Letters}, volume = {62}, number = {28}, year = {2008}, month = {NOV}, pages = {4328-4331}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present study we report a simple and convenient chemical route using pentaerythritol as a structure-directing agent for the synthesis of crystalline nanotriangular SnO2. We propose the scheme for the formation of nanotriangular structures wherein the preliminary spherical nanocrystallites are formed due to the low surface energy associated with them. These spherical nanocrystallites grow into the various linear intermediate shapes like Y, bi and tripods, which finally lead to the triangles, pyramids and bipyramids. Such variation in the structure occurs due to the structure directing pentaerythritol. These polycrystalline SnO2 nanomaterials with structural peculiarities were tested for the gas sensing characteristics. Their response towards ethanol vapor, H-2 and LPG were investigated. It was found to exhibit high response towards ethanol vapors at the operating temperature of 250 degrees C. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Nanomaterials, Oxides, Semiconductors, sensors}, issn = {0167-577X}, doi = {10.1016/j.matlet.2008.07.021}, author = {Deshmukh, Rupali G. and Badadhe, Satish S. and Vaishampayan, Mukta V. and Mulla, Imtiaz S.} } @article { ISI:000253152700039, title = {Ferrocene-linked thymine/uracil conjugates: base pairing directed self-assembly and supramolecular packing}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {4}, year = {2008}, month = {FEB}, pages = {1508-1515}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {Asymmetric synthesis, C-C coupling, Dihydroxylation, epoxidation, Macrocycles, Regioselectivity, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.200800680}, author = {Mohapatra, Debendra K. and Bhattasali, Debabrata and Gujar, Mukund K. and Khan, Mohammad Islam and Shashidhara, K. S.} } @article { ISI:000254229100020, title = {General model for analyzing data on the rate of reactive dissolution of poly-disperse particulate solids}, journal = {Chemical Engineering Journal}, volume = {137}, number = {2}, year = {2008}, month = {APR}, pages = {347-360}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A model has been presented which successfully simulates the experimentally observed integral batch reactive dissolution rate data while accounting for the poly-dispersity of the solid particulate charge. This allowed avoiding arbitrary assumptions about the particulate inventory and size independence of the mass transfer coefficient. There is also no need for a priori identification of the controlling regime, which can change from kinetic to mass transfer during the process, apart from the possibility of the shift with the specified process and operating conditions. The model was applied with equal ease to a simple isothermal reaction, an exothermic reaction with runaway potential and to a phase-transfer catalysis reaction with a complex mechanism. The model was shown to predict the time required for a specified extent of conversion of the particulate reactant or the rate of consumption of a key liquid reactant under a variety of process and operating conditions, like temperature, liquid reactant and the catalyst concentration, particle size, poly-dispersity of the charge and agitation speed. Such information is useful in reactor design and scale-up. Where dissolution is accompanied with a runaway reaction, the model can predict quantities of interest in hazard assessment and should aid safe reactor design. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {kinetic model, particle size distribution, poly-disperse solid reactant, reactive dissolution, reactive thermal hazard, solid-liquid PTC reaction}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.05.004}, author = {Bhattacharya, Arijit} } @article { ISI:000254872600028, title = {Heteropoly acid encapsulated SBA-15/TiO(2) nanocomposites and their unusual performance in acid-catalysed organic transformations}, journal = {Chemistry-A European Journal}, volume = {14}, number = {10}, year = {2008}, month = {FEB}, pages = {3200-3212}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The preparation of SBA-15/TiO(2) nanocomposites with different loadings of Keggin-type 12-tungsto-phosphoric acid (TPA) nanocrystals in their mesochannels through a simple and effective vacuum impregnation method is reported for the first time. The catalysts have been characterised by various sophisticated techniques, including XRD, HRSEM, and TEM. It has been found that the acidity and the textural parameters of the nanocomposites can be controlled by simply changing the loadings of TPA and TiO(2) or the calcination temperature. TPA and TiO(2) loadings of 15 and 22.4 wt \%, respectively, and a calcination temperature of 1123 K have proved to be optimal for obtaining mesoporous nanocomposite materials with the highest acidity. Moreover, the activities of these catalysts in promoting hydroamination as well as Mannich and Claisen rearrangement reactions have been extensively investigated. The results show that the amount of TPA has a great influence on the activity of the nanocomposites in all of the reactions studied. The effects of other reaction parameters, such as temperature and reaction time, on the conversion and product selectivity have also been studied in detail. A kinetic analysis of the formation of the products under various reaction conditions is presented. It has been found that the activity of the nanocomposite composed of 15 wt \% TPA deposited on 22.4 wt of TiO(2) on SBA-15 in promoting the studied reaction is remarkably higher than the catalytic activities shown by pure TPA, TiO(2)-loaded SBA-15, or TPA-loaded SBA-15. The results obtained have indicated that the acidity and the structural control of the nanocomposite materials are highly critical for obtaining excellent catalytic activity, and the presented highly acidic nanocomposites are considered to show great potential for use as catalysts in promoting many acid-catalysed organic transformations.

}, keywords = {Bronsted acids, mesoporous materials, nanoreactors, nanotechnology, supported catalysts}, issn = {0947-6539}, doi = {10.1002/chem.200701562}, author = {Sawant, Dhanashri P. and Justus, Josena and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Srinivasu, Pavuluri and Velmathi, Sivan and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000260978000009, title = {Heteropoly acid-based supported ionic liquid-phase catalyst for the selective oxidation of alcohols}, journal = {Journal of Catalysis}, volume = {259}, number = {2}, year = {2008}, month = {OCT}, pages = {232-239}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A supported ionic liquid strategy has been applied for the immobilization of a heteropolyacid, molybdovanadophosphoric acid, onto ionic liquid-modified mesoporous silica SBA-15. The immobilized catalyst demonstrated high activity in the aerobic oxidation of primary and secondary alcohols to aldehydes and ketones, respectively. No overoxidation of the primary alcohols to carboxylic acids was observed. Secondary alcohols were chemoselectively oxidized to ketones in the presence of primary alcohol, hetero atom, and allyl groups. This catalyst could be recycled five times without obvious loss of activity. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Air as an oxidant, Mesoporous silica SBA-15, Molybdovanadophosphoric acid, Selective oxidation, Supported ionic liquid}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.08.010}, author = {Bordoloi, Ankur and Sahoo, Suman and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000256178900021, title = {Heteropolyacid supported on acidic clay: a novel efficient catalyst for alkylation of ethylbenzene with dilute ethanol to diethylbenzene in presence of C-8 aromatics}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {285}, number = {1-2}, year = {2008}, month = {APR}, pages = {155-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vapor phase alkylation of ethylbenzene with ethanol to diethylbenzene is industrially relevant. Diethylbenzene is an important raw material for the conversion of divinyl benzene monomer. Conventionally, it is prepared from diacetophenone by reduction. It is also prepared by vapor phase alkylation of ethylbenzene with ethylene using zeolitic catalysts. The efficacy of dodecatungsotphosphoric acid (DTPA) supported on acid treated clay has been evaluated in the current work in the alkylation of ethylbenzene with 80\% (w/w) ethanol. 15\% (w/w) DTPA/K-10 clay was found to be an efficient and robust catalyst. The use of aqueous ethanol and a mixed C-8 stream lowers the cost of production. A kinetic model is developed by studying the important process parameters with 15\% (w/w) DTPA/K-10 as the catalyst. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Alkylation, diethylbenzene, Heteropolyacid, kinetics, Solid acids}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.11.018}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000258456000007, title = {High frequency occurrence of single cotyledonary embryo morphotype and repetitive somatic embryogenesis in {\textquoteleft}Thompson Seedless{\textquoteright} crossed with seven grapevine male parents}, journal = {Vitis}, volume = {47}, number = {3}, year = {2008}, month = {JAN}, pages = {169-174}, publisher = {JKI-INSTITUT REBENZUCHTUNG}, type = {Article}, address = {GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {

Direct somatic embryogenesis was observed in zygotic embryos rescued from intra- and inter-specific crosses between {\textquoteleft}Thompson Seedless{\textquoteright} and seven male parents of grapevine when the embryos were cultured on Woody Plant Medium (WPM) supplemented with benzyladenine (1 mu M). Repetitive somatic embryogenesis occurred on the same medium, which also supported a high percentage of embryo maturation, germination and plantlet development. The cultures retained embryogenic potential for more than two years. We observed a high frequency occurrence of mono-cotyledonous embryo morphotype and other morphological variations in somatic embryos of all the crosses. The percentage of embryos having mono-, di-, tri-, multiple and abnormal cotyledons varied among the crosses. The overall percentage of monocot embryos was 35.50 \%, as against 38.64 \% of dicot embryos, while the germination rates for mono- and dicot- embryos were 24.44 \% and 24.15 \%, respectively. Shoot development was poor in tri- and multiple-cotyledonary embryos, while there was no shoot formation in abnormal embryos. We assume that the relatively high occurrence of single cotyledonary morphotype, may be due to the repetitive exposure of embryogenic tissues to a medium containing benzyladenine.

}, keywords = {cotyledon, Grapevine, somatic embryo, Vitis}, issn = {0042-7500}, author = {Bharathy, P. V. and Agrawal, Dinesh C.} } @article { ISI:000254979800027, title = {Highly efficient and chemo selective catalyst system for the synthesis of blossom orange fragrance and flavoring compounds}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1671-1675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Acetal and acylal formation reactions of organic compounds are efficiently catalyzed by zirconia-supported mixed oxide systems under liquid-phase reaction conditions. 15WZ-750 (where

}, keywords = {Acetal, acylal, Silicotungstic acid, tungsten oxide, tungstophosphoric acid, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.01.025}, author = {Justus, Josena and Vinu, Ajayan and Devassy, Biju M. and Balasubramanian, Veerappan V. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000259651700007, title = {Hydrated clay for catalyst removal in copper mediated atom transfer radical polymerization(a)}, journal = {Macromolecular Rapid Communications}, volume = {29}, number = {18}, year = {2008}, month = {SEP}, pages = {1538-1543}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

A simple method has been described to remove catalyst from the copper mediated atom transfer radical polymerization (ATRP) of benzyl methacrylate and methyl methacrylate in anisole at 25 degrees C using hydrated natural clay (sodium montmorillonite, Na-clay). The method consists of (1) addition of hydrated clay (CU(I/)clay approximate to 5 wt.-\%) either during or after the polymerization, (2) oxidation of catalyst complex by exposing the terminated reaction mixture in air, and (3) filtration to obtain catalyst free polymer solution. A strong coordination of CuBr-ligand complex onto hydrated clay (10 wt.-\%

}, keywords = {Atom transfer radical polymerization (ATRP), Catalysts, clay, selectivity, synthesis}, issn = {1022-1336}, doi = {10.1002/marc.200800240}, author = {Munirasu, Selvaraj and Deshpande, Ashwini and Baskaran, Durairaj} } @article { ISI:000256281800005, title = {Imaging the interaction between dengue 2 virus and human blood platelets using atomic force and electron microscopy}, journal = {Journal of Electron Microscopy}, volume = {57}, number = {3}, year = {2008}, month = {JUN}, pages = {113-118}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

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

}, keywords = {AFM, dengue virus, Electron microscopy, platelet}, issn = {0022-0744}, doi = {10.1093/jmicro/dfn007}, author = {Ghosh, Kanjaksha and Gangodkar, Shobha and Jain, Preksha and Shetty, Shrimati and Ramjee, Sandhya and Poddar, Pankaj and Basu, Atanu} } @article { ISI:000257844000009, title = {In vitro regeneration of {\textquoteleft}Green Sweet{\textquoteright} apple via nucellus-raised callus}, journal = {Journal of Horticultural Science \& Biotechnology}, volume = {83}, number = {4}, year = {2008}, month = {JUL}, pages = {447-452}, publisher = {HEADLEY BROTHERS LTD}, type = {Article}, address = {INVICTA PRESS, ASHFORD TN24 8HH, KENT, ENGLAND}, abstract = {

For the first time, an in vitro regeneration system for {\textquoteleft}Green Sweet{\textquoteright} apple has been developed from nucellus-raised callus. Callus induction (100\%) occurred in nucellar explants excised from immature fruit when cultivated on Murashige and Skoog (MS) basal medium, free of plant growth regulators (PGR) and supplemented with 3.0\% (w/v) sucrose and 0.8\% (w/v) agar. When cultured on MS basal medium supplemented with 10.0 mu M benzyladenine (BA) and 1.0 mu M gibberellic acid (GA(3)), calli showed 88.9 +/- 5.6\% shoot regeneration with 4.1 +/- 0.1. shoots per explant, and a mean shoot length of 3.5 +/- 0.2 cm. Elongated shoots produced roots (44.4 +/- 5.6\%) when placed in half-strength MS basal medium supplemented with 1.0 mu M indole-3-butyric acid (IBA) and 1.0 mu M a-naphthaleneacetic acid (NAA). Maximum rooting percentage (55.6 +/- 5.6\%) was obtained on 0.4\% (w/v) agar, while the highest number of roots per shoot (2.8 +/- 0.4 roots) and root length (3.4 +/- 0.2 cm) were recorded on 0.6\% (w/v) agar. Acclimatisation of in vitro-raised plantlets resulted in 39.1 \% surviving plantlets. The findings of this study indicate that nucellus-raised callus of the apple cultivar {\textquoteleft}Green Sweet{\textquoteright} can efficiently regenerate shoots that can be rooted and successfully acclimatised.

}, issn = {1462-0316}, author = {Joshi, Soumai Kant and Bisht, Vandana and Dhar, Uppeandra and Joshi, Meena and Bisht, Anil Kumar} } @article { ISI:000255865500030, title = {Influence of pretreatment of agriculture residues on phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {African Journal of Biotechnology}, volume = {7}, number = {8}, year = {2008}, month = {APR}, pages = {1101-1106}, publisher = {ACADEMIC JOURNALS}, type = {Article}, address = {P O BOX 5170-00200 NAIROBI, VICTORIA ISLAND, LAGOS 73023, NIGERIA}, abstract = {

The extracellular phytase production by Aspergillus niger NCIM 563 was evaluated in medium containing various agriculture residues under submerged fermentation conditions. Phytase production was affected by inorganic phosphate content of agriculture residues which ranged from 2.8 to 8 mg/g. The agriculture residues containing less than 4 mg/g inorganic phosphate supported phytase production with maximum activity of 68 IU/ml in medium containing 1\% rice bran on 11(th) day of fermentation. Addition of glucose up to 5\% in fermentation medium containing 1\% rice bran, enhanced phytase production. Pretreatment of agriculture residues with water to remove excess inorganic phosphate has significantly enhanced the phytase activity in case of de-oiled rice bran, wheat bran, peanut cake (low and high oil) and coconut cake. Maximum increase of 20.3 times in phytase activity was observed in case of wheat bran as compared to de-oiled rice bran, coconut cake, peanut cake high and low oil in which the increase in phytase activity was 6.85, 6.1, 5.3 and 3.0 times, respectively. Maximum phytase activity of 68 IU/ml was produced on the 11(th) day of fermentation compared to earlier reported 41.47 IU/ml phytase activity on the 15(th) day of submerged fermentation using 5\% dextrin and 2.5\% glucose, thus increasing productivity.

}, keywords = {Agriculture residue, Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {1684-5315}, author = {Bhavsar, Kavita P. and Shah, Parin and Soni, Sarvesh Kumar and Khire, Jayant Malhar} } @article { ISI:000259845000014, title = {Inorganic-organic hybrid materials based on functionalized silica and carbon: a comprehensive understanding toward the structural property and catalytic activity difference over mesoporous silica and carbon supports}, journal = {Microporous and Mesoporous Materials}, volume = {115}, number = {3}, year = {2008}, month = {NOV}, pages = {345-355}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Inorganic-organic hybrid materials based on functionalized silica and carbon were synthesized by anchoring molybdovanadophosphoric acid (H-5[PMo10V2O40]center dot 32.5H(2)O) onto amine-functionalized SBA-15, ethane-bridged SBA-15 and mesoporous carbon, respectively. Small angle X-ray diffraction, N-2 sorption analysis, HRTEM, SEM, IFT-IR, CP-MAS NMR were used to diagnose the mesoporous structure of inorganic-organic hybrid materials. The structural integrity of molybdovanadophosphoric acid has been found to be retained after immobilization over mesoporous materials. These inorganic-organic hybrid materials were tested in the environmentally friendly oxidation of 2-methylnaphthalene (2MN) with 30\%, aqueous hydrogen peroxide. Molybdovanadophosphoric acid containing mesoporous organosilica hybrid material (ethane-bridged SBA-15) exhibited higher catalytic activities in the oxidation of 2MN to give a clean product 2-methy-1,4-naphthoquinone (menadione vitamin K3 precursor), because of the improved hydrophobicity of the material. The correlation between structural properties and catalytic activities of these hybrid materials has been well addressed in our present studies. (c) 2008 Elsevier Inc. All rights reserved.

}, keywords = {2-Methylnaphthalene, inorganic-organic hybrid materials, mesoporous carbon, mesoporous organosilica, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.02.005}, author = {Bordoloi, Ankur and Mathew, Nevin T. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000256743300032, title = {Insight into the micellization of dodecyldimethylethylammonium bromide (DDAB) in the presence of bovine serum albumin (BSA)}, journal = {Journal of Colloid and Interface Science}, volume = {323}, number = {2}, year = {2008}, month = {JUL}, pages = {426-434}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

in this work, we report the effect of concentration of bovine serum albumin (BSA) on the micellization of a cationic surfactant, doclecyldimethylethylammonium bromide (DDAB). Several samples covering a wide range of concentrations of protein and surfactant have been investigated. The interactions between the moieties are investigated by measuring fluorescence quenching of BSA molecules. The aggregation number of DDAB micelles is found to be small in the presence of BSA. The formation of DDAB-BSA complex is confirmed by FTIR. Absorbance spectroscopy indicates that at higher concentration, the conformational stability of BSA in DDAB is higher. The viscosity data for protein-surfactant systems confirm conformational changes in protein chains induced by the surfactant. The cmc values for DDAB increase with increasing concentration of BSA. At higher temperatures the micellization-complexation becomes enthalpy-dominated. (c) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Aggregation number, BSA, conductivity, conformational stability, DDAB, FFIR, fluorescence, UV-visible, viscosity}, issn = {0021-9797}, doi = {10.1016/j.jcis.2008.04.026}, author = {Mehta, S. K. and Bhawna and Bhasin, K. K. and Kumar, Anil} } @article { ISI:000260640600003, title = {Intrinsic viscosity of aqueous solutions of carboxymethyl guar in the presence and in the absence of salt}, journal = {Macromolecular Chemistry and Physics}, volume = {209}, number = {20}, year = {2008}, month = {OCT}, pages = {2087-2093}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Biopolymers, Carboxymethyl guar, intrinsic viscosity, polyelectrolyte, salt-free solutions}, issn = {1022-1352}, doi = {10.1002/macp.200800238}, author = {Badiger, Manohar V. and Gupta, Nivika R. and Eckelt, John and Wolf, Bernhard A.} } @article { ISI:000261262000024, title = {Invertase inhibition based electrochemical sensor for the detection of heavy metal ions in aqueous system: application of ultra-microlelectrode to enhance sucrose biosensor{\textquoteright}s sensitivity}, journal = {Biosensors \& Bioelectronics}, volume = {24}, number = {4}, year = {2008}, month = {DEC}, pages = {657-664}, publisher = {ELSEVIER ADVANCED TECHNOLOGY}, type = {Article}, address = {OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

We are reporting fabrication and characterization of electrochemical sucrose biosensor using ultra-microelectrode (UME) for the detection of heavy metal ions (Hg(II), Ag(I), Pb(II) and Cd(II)). The working UME, with 25 mu m diameter, was modified with invertase (INV, EC: 3.2.1.26) and glucose oxidase (GOD, EC: 1.1.3.4) entrapped in agarose-guar gum. The hydrophilic character of the agarose-guar gum composite matrix was checked by water contact angle measurement. The atomic force microscopy (AFM) images of the membranes showed proper confinement of both the enzymes during co-immobilization. The dynamic range for sucrose biosensor was achieved in the range of 1 x 10(-10) to 1 x 10(-7) M with lower detection limit 1 x 10(-10) M at pH 5.5 with 9 cycles of reuse. The spectrophotometric and electrochemical studies showed linear relationship between concentration of heavy metal ions and degree of inhibition of invertase. The toxicity sequence for invertase using both methods was observed as Hg(2+) \> Pb(2+) \> Ag(+) \> Cd(2+). The dynamic linear range for mercury using electrochemical biosensor was observed in the range of 5 x 10(-10) to 12.5 x 10(-10) M for sucrose. The lower detection limit for the fabricated biosensor was found to be 5 x 10(-10) M. The reliability of the electrochemical biosensor was conformed by testing the spike samples and the results were comparable with the conventional photometric DNSA method. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Co-immobilization, Electrochemical biosensor, Heavy metal ions, Invertase (INV)-glucose oxidase (GOD), Mercury, Ultra-microelectrode (UME)}, issn = {0956-5663}, doi = {10.1016/j.bios.2008.06.027}, author = {Bagal-Kestwal, Dipali and Karve, Meena S. and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000253521600009, title = {Iron-nickel bimetallic nanoparticles for reductive degradation of azo dye orange G in aqueous solution}, journal = {Applied Catalysis B-Environmental}, volume = {79}, number = {3}, year = {2008}, month = {MAR}, pages = {270-278}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The degradation of Orange G, a monoazo dye, in aqueous solutions was investigated using Fe-Ni bimetallic nanoparticles. Transmission electron microscopy (TEM) of as-synthesized nanoparticles showed the presence of spherical particles having a size of 20-40 nm. X-ray photoelectron spectroscopy (XPS) did not detect the presence of nickel on the nanoparticle surface, which suggested a uniform distribution of both metals inside the particle core. Batch experiments with a minimum nanocatalyst loading of 3 g/L showed complete dye degradation after 10 min of reaction time. The degradation efficiency was linearly dependent on the initial dye concentration, pH of the solution and total Fe-Ni catalyst concentration. The efficiency increased with increasing Fe-Ni concentration and decreasing pH of the solution, but decreased with an increase in the dye concentration. The degradation rate followed first order reaction kinetics with respect to the dye concentration. High performance liquid chromatography-mass spectrometry (HPLC-MS) analysis of the degradation products revealed that the degradation mechanism proceeds through a reductive cleavage of the azo linkage resulting in the formation of aniline and surface-adsorbed naphthol amine derivatives. The latter are subsequently hydroxylated through an oxidative process. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Azo Dye, Degradation, iron, Nanoparticles, Nickel}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2007.10.033}, author = {Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article { ISI:000254229100016, title = {Kinetic modeling of liquid phase autoxidation of cumene}, journal = {Chemical Engineering Journal}, volume = {137}, number = {2}, year = {2008}, month = {APR}, pages = {308-319}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A new kinetic model for the liquid phase autoxidation of cumene has been developed utilizing the existing knowledge about the traditional free-radical mechanism involving the initiation of the free-radicals, the chain propagation and transfer and the various modes of radical termination. Unlike previous work, in the re-organized reaction network an important cross-termination step replaces an often used but less likely one and a new derivation of the rate model has been provided. A base set of rate parameters for the elementary steps within this reaction network were chosen, many of them were same or very similar to those published in the literature, with a few critical ones re-estimated for correct match with directly observed kinetic data reported in the literature on cumene oxidation in bench scale reactors. Embedding this kinetic sub-model within a simple reaction engineering model for a single air-sparged continuous cumene oxidator, the liquid oxidate composition at the reactor exit could be predicted that compared closely with some limited published data from an industrial reactor. It is hoped that the kinetic model presented here would be a useful tool in the analysis and design of other autoxidation reactors as well with minor adaptations. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {air-sparged continuous oxidator, cumene oxidation, free-radical mechanism, kinetic model, liquid phase autoxidation}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.04.043}, author = {Bhattacharya, Arijit} } @article { ISI:000255130000001, title = {Lipase enzyme immobilization on synthetic beaded macroporous copolymers for kinetic resolution of chiral drugs intermediates}, journal = {Process Biochemistry}, volume = {43}, number = {4}, year = {2008}, month = {APR}, pages = {321-330}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {1-phenyl ethanol and enantioselectivity, chiral resolution, enantiomeric excess (ee), ethyl-3-hydroxy-3-phenyl propanoate, Immobilization, Lipase}, issn = {1359-5113}, doi = {10.1016/j.procbio.2007.11.019}, author = {Bhushan, Indu and Parshad, Rajinder and Qazi, Gulam Nabi and Ingavle, Ganesh C. and Rajan, C. R. and Ponrathnam, Surendera and Gupta, Vijay Kumar} } @article { ISI: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:000256920000046, title = {MCM-41-supported organometallic-derived nanopalladium as a selective hydrogenation catalyst}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {25}, year = {2008}, month = {JUN}, pages = {9428-9433}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {asymmetric catalysis, functionalized MCM-41, hydrogenation catalysts, nanocatalyst, ruthenium carbonyl cluster}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.04.009}, author = {Indra, Arindam and Basu, Susmit and Kulkarni, Dhanashree G. and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000256931600006, title = {Microwave studies on synthesis of biologically active chalcone derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {47}, number = {6}, year = {2008}, month = {JUN}, pages = {927-931}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Synthesis of pyrazole derivative using microwave energy has been carried out. The compound 1-[4-(2-hydroxy-ethoxy)-phenyl]-ethanone, is prepared from p-hydroxy-acetophenone and 2-chloro-ethanol. Chalcone derivative has been prepared by the condensation reaction of 1-[4-(2-hydroxy-ethoxy)-phenyl]- ethanone with 4-chlorobenzaldehyde. This chalcone. derivative cyclised with hydrazine hydrate and glacial acetic acid under microwave irradiation conditions give pyrazole derivative. These products have been characterized by detailed spectral analysis and have been screened for their antimicrobial activity, against Escherichia coli, Proteus vulgaris, and Salmonella typhimurium.

}, keywords = {Antimicrobial activity, chalcones, Pyrazole}, issn = {0376-4699}, author = {Katade, Sushama and Phalgune, Usha and Biswas, Sujata and Wakharkar, Radhika and Deshpande, Nirmala} } @article { ISI:000261711400041, title = {Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {246-253}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {11-Bromosteroids, Cholic acid, crystal structure, Halogen bonding}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.051}, author = {Salunke, Deepak B. and Hazra, Braja G. and Gonnade, Rajesh G. and Pore, Vandana S. and Bhadbhade, Mohan M.} } @article { ISI:000258965100011, title = {Mossbauer spectroscopic investigations of nanophase iron oxides synthesized by thermal plasma route}, journal = {Materials Characterization}, volume = {59}, number = {9}, year = {2008}, month = {SEP}, pages = {1215-1220}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Magnetic nanoparticles of iron oxide were synthesized by transferred arc plasma induced gas phase condensation method. Structural, morphological and magnetic studies of the as synthesized powder were carried out using X-ray diffraction, transmission electron microscopy and Mossbauer spectroscopy. These studies have revealed the simultaneous nucleation and condensation of different magnetic phases with a broad size distribution of the nanoparticles which is peaked at 30-50 nm and ranges from 10 nm to 80 nm. 57 Fe Mossbauer spectra recorded at various temperatures (5 K-300 K) in presence of external magnetic field (at 5 K) have suggested the presence of different phases of iron oxide with sizable amounts of gamma-Fe2O3 and alpha-Fe2O3 in addition to Fe3O4. The relative concentrations of these phases have been obtained by a self consistent spectral area analysis and were found to be 44:22:34 (\%). (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {iron oxides, Mossbauer spectroscopy, phase analysis, plasma synthesis}, issn = {1044-5803}, doi = {10.1016/j.matchar.2007.10.003}, author = {Nagar, Harshada and Kulkarni, Naveen V. and Karmakar, Soumen and Sahoo, B. and Banerjee, Indrani and Chaudhari, P. S. and Pasricha, R. and Das, A. K. and Bhoraskar, S. V. and Date, Sadgopal K. and Keune, W.} } @article {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 {42584, title = {Nanowires of metal-organic complex by photocrystallization: a system to achieve addressable electrically bistable devices and memory elements}, journal = {Langmuir}, volume = {24}, year = {2008}, month = {MAY}, pages = {5937{\textendash}5941}, abstract = {

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

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

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

}, keywords = {Coordination polymer, Metal-organic framework, Microporous material, porosity, Zinc complex}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.04.003}, author = {Chandra, Debraj and Kasture, Mahesh W. and Bhaumik, Asim} } @article { ISI:000257362100009, title = {Non-isothermal kinetic studies of the template decomposition from silicalite-1 framework-high temperature X-ray diffraction and thermogravimetric analysis}, journal = {Microporous and Mesoporous Materials}, volume = {113}, number = {1-3}, year = {2008}, month = {AUG}, pages = {64-71}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {HTXRD, non-isothermal kinetics, Silicalite-1}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.11.002}, author = {Bhange, Deu S. and Pandya, N. A. and Jha, Ratnesh Kumar and Ramaswamy, Veda} } @article { ISI:000254450600014, title = {Novel three dimensional cubic Fm3m mesoporous aluminosilicates with tailored cage type pore structure and high aluminum content}, journal = {Advanced Functional Materials}, volume = {18}, number = {4}, year = {2008}, month = {FEB}, pages = {640-651}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Novel three dimensional cubic Fm3m mesoporous aluminosilicates (AIKIT-5) with very high structural order and unprecedented loadings of Al in the silica framework have been successfully prepared for the first time by using non ionic surfactant as a template in a highly acidic medium. The obtained materials have been unambiguously characterized in detail by several sophisticated techniques such as XRD, N, adsorption, HRTEM, HRSEM, EDS, elemental mapping, Al-27 MAS NMR, and NH3-TPD. We also demonstrate that the nature, and the amount of Al incorporation in the silica framework can easily be controlled by simply varying the n(H2O)/n(HCl) and the n(Si)/n(Al), ratios, and the Al sources in the synthesis gel. Among the Al sources examined, the Al isopropoxide (AiPr) is superior over other Al sources. Al-27 MAS NMR results reveal that the amount of tetrahedral Al in the framework can be controlled by simply adjusting the nSi/nAl ratio in the synthesis gel, which increases with increasing the Al incorporation. One of the interesting findings in the work is the increase of the specific surface area, specific pore volume and the pore diameter of AIKIT-5 with increasing the Al incorporation in the silica framework (up to n(Si)/n(Al), ratio of 10) while retaining the well-ordered three dimensional cage type porous structure, and the mechanism for the unusual behavior has been discussed in detail. Finally, the acidity and the catalytic activity in the acetylation of veratrole of the AIKIT-5 catalysts have been studied and the results have been compared with the several zeolites catalysts. Among the catalysts examined, AIKIT-5(10) is found to be superior over the zeolites catalysts such as mordenite, zeolite H-Y, zeolite H-beta, and ZSM-5.

}, issn = {1616-301X}, doi = {10.1002/adfm.200701027}, author = {Srinivasu, Pavuluri and Alam, Sher and Balasubramanian, Veerappan V. and Velmathi, Sivan and Sawant, Dhanashri P. and Boehlmann, Winfred and Mirajkar, Subhash P. and Ariga, Katsuhiko and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000256183700015, title = {Phosphotungstic acid on silica with modified acid sites as a solid catalyst for selective cleavage of tert-butyldimethylsilyl ethers}, journal = {Catalysis Communications}, volume = {9}, number = {9}, year = {2008}, month = {MAY}, pages = {1863-1868}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The strength and nature of acid sites of bulk phosphotungstic acid could be modified after dispersing it on silica support which was characterized by XRD, ammonia TPD and (31)P MAS NMR techniques. This solid acid catalyst was found to be highly selective for the cleavage of tert-butyldimethylsilyl ethers at room temperature. The catalyst was easily recovered by filtration and could be reused for several times without loss of any activity giving a TON of 9.5 x 10(5). (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Ammonia TPD, Catalytic cleavage, reaction pathway, solid acid, tert-butyldimethylsilyl ethers, XRD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.03.017}, author = {Bhure, Mahesh H. and Kumar, Indresh and Natu, Arun D. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article { ISI:000255295700013, title = {Photocatalytic decomposition of methylene nanocrystalline titania prepared by different blue on methods}, journal = {Materials Research Bulletin}, volume = {43}, number = {5}, year = {2008}, month = {MAY}, pages = {1145-1152}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Nanocrystalline particles of pure anatase titania were prepared by two different methods. One is the sol-gel method at ambient temperature using ultrasonication (TiO2-SG-US) and conventional stirring method (TiO2-SG-S) and the other by surfactant assisted hydrothermal synthesis (TiO2-HT). More uniform distribution/dispersion of the nanoparticles (SEM), marginally higher surface area, better thermal stability and phase purity are some of the advantages of preparation of nanocrystalline titania by sol gel ultrasonication method and hydrothermal synthesis method. The behavior of anatase titania in photocatalytic decomposition of methylene blue in aqueous medium was studied as a function of the method of preparation and the crystallite size. The nanoparticles prepared by ultrasonication method were more effective than both, the sample prepared by conventional stirring method and commercial Degussa P-25. The higher photocatalytic activity of TiO2-SG-US is attributed to the more uniform size of the particles as compared to TiO2-SG-S samples. Both TEM and XRD data on TiO2-HT samples reveal a uniform and nanocrystalline TiO2 particles, which showed photocatalytic activity in both UV and visible region although brookite phase was also present. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, Nanostructures, Sol-gel chemistry}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.06.003}, author = {Ramaswamy, Veda and Jagtap, Neelam and Vijayanand, S. and Bhange, Deu S. and Awati, Preeti} } @article { ISI:000258059800006, title = {Phytochemical constituents and pharmacological activities of calotropis procera}, journal = {Plant Archives}, volume = {8}, number = {1}, year = {2008}, month = {APR}, pages = {23-27}, publisher = {R S YADAV}, address = {606-2 S CIVIL LINES, MUZAFFARNAGAR, 251 001, INDIA}, abstract = {

In spite of many synthetic compounds, the most efficient drugs have their origin directly or indirectly related with the plant kingdom. Many of the plant extracts have proven to posses important pharmacological actions depending upon the chemical constituents present. Calotropis procera, plant generally considered as a poisonous whereas widely used in the traditional medicinal system like Ayurveda and Unani. This plant has been reported to poses alkaloids, glycosides, flavonoids, triterpines etc in different parts and exhibit various pharmacological activities like anti-fertility, wound healing, antimalerial, antidiarrhoeal, anti-inflammatory etc. This review highlights some of the phytochemical and pharmacological aspects of Calotropis procera.

}, keywords = {calactin, calotoxin, Calotropis procera, pharmacological activities, phytochemical constituents, procesterol}, issn = {0972-5210}, author = {Qureshi, Absar A. and Qureshi, Azfar A. and Omer, Shaista and Sanghai, Dhirendra B. and Setty, S. R. and Bhajipale, N. S.} } @article { ISI:000259886100006, title = {Practical syntheses of 4-fluoroprolines}, journal = {Journal of Fluorine Chemistry}, volume = {129}, number = {9}, year = {2008}, month = {SEP}, pages = {781-784}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {4-Fluoroproline, 4-Hydroxyproline, collagen, Nonnatural amino acid, Process-scale synthesis}, issn = {0022-1139}, doi = {10.1016/j.jfluchem.2008.06.024}, author = {Chorghade, Mukund S. and Mohapatra, Debendra K. and Sahoo, Gokarneswar and Gurjar, Mukund K. and Mandlecha, Manish V. and Bhoite, Nitin and Moghe, Santosh and Raines, Ronald T.} } @article {42460, title = {Reaction of huisgen zwitterion with diaryl ketones leading to the facile synthesis of mono- and bis(alkoxycarbonyl)hydrazones}, journal = {Synthesis-Stuttgart}, year = {2008}, month = {MAR}, pages = {1078-1084}, abstract = {

The Huisgen zwitterion, generated from triphenylphosphine and dialkyl azodicarboxylates, afforded upon reaction with diaryl ketones both mono- and bis(alkoxycarbonyl)hydrazones, depending on the reaction conditions.

}, doi = {10.1055/s-2008-1032125}, author = {Nair, Vijay and Mathew, Smitha C. and Biju, Akkattu T. and Eringathodi, Suresh} } @article { ISI:000258037300073, title = {RuO(2) doped SnO(2) nanobipyramids on Si (100) as a field emitter}, journal = {Thin Solid Films}, volume = {516}, number = {18}, year = {2008}, month = {JUL}, pages = {6388-6391}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Thin films of RuO(2): SnO(2) nanobipyramids have been grown on silicon (100) flat substrates, and their field emission behavior has been investigated. The field emission experiments have been performed in parallel plate configuration. In this experiment, the onset field for 0. 1 gA/ cm 2 current density has been found to be 0.2 V/mu m. The Fowler-Nordheim plot shows non-linear nature typical that of a semiconductor. The field enhancement factor has been estimated to be 35,600 cm(-1), indicating that the field emission originates from the nanometric features of the emitter. The current stability recorded at a preset value of I tA is observed to be good. Our field emission results on RuO(2): SnO(2) nanobipyramids indicate that, RuO(2): SnO(2) nanobipyramids are a potential candidate for futuristic field emission based devices. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {doped semiconductor, field emitter, field enhancement factor, ruthenium oxide, tin oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2007.12.160}, author = {Bhise, Ashok B. and Late, Dattatray J. and Ramgir, Niranjan S. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000260452200009, title = {[Ru(salen)(NO)] complex encapsulated in mesoporous SBA-16 as catalyst for hydrogenation of ketones}, journal = {Catalysis Communications}, volume = {10}, number = {1}, year = {2008}, month = {OCT}, pages = {45-48}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SBA-16 mesoporous silica with cubic lm3m structure was synthesized using Pluronic F127 poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) triblock copolymer (EO106PO70EO106) and it blends with Pluronic P123 triblock copolymer (EO20PO70EO20) as supramolecular templates. The resulting material was used for encapsulating [Ru(salen)(NO)] complex and used in the hydrogenation of ketones to the corresponding alcohols. The pore entrance size of SBA-16 was precisely tailored by silylation with diphenyldichlorosilane to trap [Ru(salen)(NO)] complex in the cage of SBA-16. Small angle XRD, N-2 sorption measurements, UV-Vis and FT-IR analysis evidences the structural integrity of mesoporous silica as well as the complex. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Encapsulation, Hydrogenation, Ketones, SBA-16, [Ru(salen)(NO)] complex}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.07.029}, author = {Bordoloi, Ankur and Amrute, Amol P. and Halligudi, Shivaraj B.} } @article { ISI:000256530800003, title = {SbCl(3) as a highly efficient catalyst for the acetylation of alcohols, phenols, and amines under solvent-free conditions}, journal = {Synthetic Communications}, volume = {38}, number = {10}, year = {2008}, month = {APR}, pages = {1518-1526}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

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

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

}, keywords = {ECR plasma, Field emission microscopy, Hollow cathode chemical sputtering, Mo nanoparticles, Scanning tunneling microscopy}, issn = {0042-207X}, doi = {10.1016/j.vacuum.2008.04.077}, author = {Purohit, Vishwas S. and Bhise, Ashok B. and Dey, Shirshendu and More, Mahendra A. and Dharmadhikari, C. V. and Joag, Dilip S. and Pasricha, Renu and Bhoraskar, S. V.} } @article { ISI:000256178900015, title = {Selective cis-dihydroxylation of olefins using recyclable homogeneous molybdenum acetylide catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {285}, number = {1-2}, year = {2008}, month = {APR}, pages = {111-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {acetylide complex, cis-dihydroxylation, Homogeneous catalysis, Hydrogen peroxide, recyclable}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.01.034}, author = {Biradar, Ankush V. and Sathe, Bhaskar R. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000256043100018, title = {Selective N-oxidation of aromatic amines to nitroso derivatives using a molybdenum acetylide oxo-peroxo complex as catalyst}, journal = {Tetrahedron Letters}, volume = {49}, number = {22}, year = {2008}, month = {MAY}, pages = {3616-3619}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {aromatic amine, Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, nitroso, Oxidation, Oxo-peroxo}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.04.005}, author = {Biradar, Ankush V. and Kotbagi, Trupti V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000252757100013, title = {Sheet-forming abiotic hetero foldamers}, journal = {Chemical Communications}, number = {6}, year = {2008}, month = {DEC}, pages = {712-714}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/b713229h}, author = {Baruah, Pranjal K. and Sreedevi, Naduthottiyil K. and Majumdar, Baisakhi and Pasricha, Renu and Poddar, Pankaj and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article { ISI:000260774300012, title = {Sol-gel synthesis of MoO(3)/SiO(2) composite for catalytic application in condensation of anisole with paraformaldehyde}, journal = {Catalysis Letters}, volume = {126}, number = {3-4}, year = {2008}, month = {DEC}, pages = {286-292}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {4, 4{\textquoteright}-Dimethoxydiphenylmethane, Condensation of anisole, MoO(3)/SiO(2) composites, Paraformaldehyde, Sol-gel synthesis}, issn = {1011-372X}, doi = {10.1007/s10562-008-9611-5}, author = {Amrute, Amol P. and Bordoloi, Ankur and Lucas, Nishita and Palraj, K. and Halligudi, Shivaraj B.} } @article { ISI:000258108200006, title = {Studies in structural characterization and correlation with the catalytic activity of an efficient and stable WOx/SBA-15 nanocomposite catalyst}, journal = {Journal of Catalysis}, volume = {257}, number = {2}, year = {2008}, month = {JUL}, pages = {283-290}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {catalytic oxidation, mesoporous materials, Sulfides, Sulfoxides, tungsten oxide nanocluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.05.015}, author = {Bordoloi, Ankur and Halligudi, Shivaraj B.} } @article { ISI: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:000261546900021, title = {Suzuki cross-coupling and intramolecular aza-michael addition reaction sequence towards the synthesis of 1,10b-epi-7-deoxypancratistatins and their cytotoxicity studies}, journal = {European Journal of Organic Chemistry}, number = {34}, year = {2008}, month = {DEC}, pages = {5839-5847}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

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

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

}, issn = {0022-3263}, doi = {10.1021/jo801761f}, author = {Pandey, Ganesh and Balakrishnan, Madhesan} } @article { ISI:000260062900021, title = {Synthesis and self-assembling properties of alpha,omega-hydroxy-poly(ethylene oxide) end-capped with 1-isocyanato-3-pentadecylcyclohexane}, journal = {Polymer}, volume = {49}, number = {21}, year = {2008}, month = {OCT}, pages = {4635-4646}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Associating polymer, Hydrophobically end-capped, poly(ethylene oxide), Star micelles}, issn = {0032-3861}, doi = {10.1016/j.polymer.2008.07.064}, author = {Kadam, Vijay S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Ducouret, Guylaine and Hourdet, Dominique} } @article { ISI:000254135200020, title = {Synthesis of amphiphilic poly(methyl methacrylate-b-ethylene oxide) copolymers from monohydroxy telechelic poly(methyl methacrylate) as macroinitiator}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {6}, year = {2008}, month = {MAR}, pages = {2132-2144}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

}, keywords = {Biodiesel, phosphotungstic acids, Silicotungstic acid, transesterification, tungsten oxide, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.08.007}, author = {Sunita, G. and Devassy, Biju M. and Vinu, Ajayan and Sawant, Dhanashri P. and Balasubramanian, Veerappan V. and Halligudi, Shivappa B.} } @article { ISI: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:000252640600002, title = {Synthesis of gymnoascolide A}, journal = {Synthesis-Stuttgart}, number = {1}, year = {2008}, month = {JAN}, pages = {26-28}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {dimethyl (bromomethyl)fumarate, functionalized maleic anhydrides, gymnoascolide A, regioselective reduction, S(N)2 {\textquoteleft} Grignard coupling reaction}, issn = {0039-7881}, doi = {10.1055/s-2007-990901}, author = {Baag, Md. Merajuddin and N. P. Argade} } @article { ISI:000257424800017, title = {Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of alpha-glucosidase}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {14}, year = {2008}, month = {JAN}, pages = {2587-2595}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

}, keywords = {heterogeneous catalyst, palladium on zirconia, stilbenes, styrenes}, issn = {0308-2342}, doi = {10.3184/030823408X340807}, author = {Borate, Hanumant B. and Dumbre, Deepa K. and Wakharkar, Radhika D. and Choudhary, Vasant R.} } @article { ISI:000254443900006, title = {Ultrasound promoted asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {4}, year = {2008}, month = {APR}, pages = {289-293}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system proceeds with significant rate enhancement by ultrasound promotion. Comparison of the silent reactions carried out at 25 degrees C with reactions under sonochemical activation at 25 degrees C clearly showed enhancement in catalytic activity by 5-10 times without significantly affecting the enantioselectivity. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {asymmetric catalysis, transfer hydrogenation, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.10.003}, author = {Shingote, Savita K. and Kelkar, Ashutosh A. and Borole, Yogesh L. and Joshi, Pradip D. and Chaudhari, Raghunath V.} } @conference { ISI:000257237400015, title = {Variability among vitis vinifera cultivars to in vitro propagation}, booktitle = {Proceedings of the International Symposium on Grape Production and Processing}, series = {ACTA HORTICULTURAE}, number = {785}, year = {2008}, note = {International Symposium on Grape Production and Processing, Baramati, INDIA, FEB 06-11, 2006}, month = {MAY}, pages = {127-139}, publisher = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, organization = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, address = {Po Box 500, 3001 Leuven 1, Belgium}, abstract = {

Response of grapevines to tissue culture has been reported to be genotype dependent, hence it becomes imperative to optimize culture conditions for newly developed varieties or cultivars, needing a large scale planting but availability of sufficient planting stock is a constraint. In the present study, conditions for in vitro propagation of six popular table grape cultivars have been standardized. Single node stem segments of cultivars 2A-Clone of Thompson Seedless, Red Globe, Crimson Seedless, Thompson Seedless, Flame Seedless and Italia cultured on ten different basal media showed varied percentages of bud break and morphogenetic responses. The percentage of bud break varied among the six cultivars. Direct rooting at basal ends of single node segments was observed in all the cultivars except in Italia. Woody plant medium induced the highest response and Eriksson medium the least in all the cultivars tested. Rooted nodal segments with shoots in axils could be established into whole plants on potting. Six cultivars showed different optimum concentrations of growth regulators for induction of maximum number of multiple shoots in both primary as well as secondary nodal segments. Shoot proliferation could be enhanced by several fold in the majority of cultivars on culture of initial shoot clumps to glass bottles instead of culture tubes. Six cultivars showed significant differences in optimum requirement of nutrients and growth regulators for shoot elongation, in vitro and ex vitro rooting and survival rate. Tissue culture plants of all the six cultivars could establish successfully in a greenhouse.

}, keywords = {basal media, Grapevine, growth regulators, micropropagation, Tissue culture, Vitis}, isbn = {978-90-6605-268-0}, issn = {0567-7572}, author = {Barreto, M. S. and Nookaraju, A. and Joglekar, A. M. and Karibasappa, G. S. and Agrawal, Dinesh C.}, editor = {Adsule, P. G. and Sawant, I. S. and Shikhamany, S. D.} } @article { ISI:000261711400013, title = {Vitamin K-3 family members - Part II: Single crystal X-ray structures, temperature-induced packing polymorphism, magneto-structural correlations and probable anti-oncogenic candidature}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {74-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Anti-oncogenic candidature, H-bonding, Magneto-structural correlations, Naphthosemiquinones in vitamin K-3 family, Packing polymorphism, Spin concentrations}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.015}, author = {Rane, Sandhya and Ahmed, Khursheed and Salunke-Gawali, Sunita and Zaware, Santosh B. and Srinivas, D. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000269426900019, title = {Acetalization of glycerol using mesoporous MoO3/SiO2 solid acid catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {310}, number = {1-2}, year = {2009}, month = {SEP}, pages = {150-158}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Acetalization of glycerol with various aldehydes has been carried out using mesoporous MoO3/SiO2 as a solid acid catalyst. A series of MoO3/SiO2 catalysts with varying MoO3 loadings(1-20 mol\%) were prepared by sol-gel technique using ethyl silicate-40 and ammonium heptamolybdate as silica and molybdenum source respectively. The sol-gel derived samples were calcined at 500 degrees C and characterized using various physicochemical characterization techniques. The XRD of the calcined samples showed the formation of amorphous phase up to 10 mol\% MoO3 loading and at higher loading of crystalline alpha-MoO3 on amorphous silica support. TEM analyses of the materials showed the uniform distribution of MoO3 nanoparticles on amorphous silica support. Raman spectroscopy showed the formation of silicomolybdic acid at low Mo loading and a mixture of alpha-MoO3 and polymolybdate species at high Mo loadings. Moreover the Raman spectra of intermediate loading samples also suggest the presence of beta-MoO3. Acetalization of glycerol with benzaldehyde was carried out using series of MoO3/SiO2 catalysts with varying MoO3 loadings (1-20 mol\%). Among the series, MoO3/SiO2 With 20 mol\% MoO3 loadings was found to be the most active catalyst in acetalization under mild conditions. Maximum conversion of benzaldehyde (72\%) was obtained in 8 h at 100 degrees C with 60\% selectivity for the six-membered acetal using 20\% MoO3/SiO2. Interestingly with substituted benzaldehydes under same reaction conditions the conversion of aldehydes decreased with increase in selectivity for six-membered acetals. These results indicate the potential of this catalyst for the acetalization of glycerol for an environmentally benign process. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Acetalization, Aldehyde, Glycerol, Silicomolybdic acid, solid acid}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.06.010}, author = {Shubhangi B. Umbarkar and Kotbagi, Trupti V. and Biradar, Ankush V. and Pasricha, Renu and Chanale, Jyoti and Dongare, Mohan K. and Mamede, Anne-Sophie and Lancelot, Christine and Payen, Edmond} } @article { ISI:000268795100001, title = {Acute and subacute toxicity studies of chitosan reduced gold nanoparticles: a novel carrier for therapeutic agents}, journal = {Journal of Biomedical Nanotechnology}, volume = {5}, number = {3}, year = {2009}, month = {JUN}, pages = {233-239}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

The objective of the present study was to evaluate the oral toxicity of chitosan reduced gold nanoparticles so as to demonstrate its applicability for drug delivery application. Acute oral toxicity studies in female rats documented no deaths or treatment related complications. The LD(50) value of gold nanoparticles was found to be greater than 2000 mg/kg. In case of sub-acute oral toxicity studies, gold nanoparticles were administered orally to male and female rats for a period of 28-days. At the end of study blood samples were collected for haematology and biochemical analysis. For histopathological analysis, organs of animals were weighed and processed for examination. All animals survived the duration of the study, with no significant changes in clinical signs, body weight, food consumption, hematological parameters, organ weights and histopathological findings. These studies establish that chitosan reduced gold nanoparticles produced no treatment related toxicity in rats following oral administration, thus can be exploited for potential therapeutic applications.

}, keywords = {Acute Toxicity, Chitosan, gold nanoparticles, Sub-Acute Toxicity, Wistar Rats}, issn = {1550-7033}, doi = {10.1166/jbn.2009.1027}, author = {Pokharkar, Varsha and Dhar, Sheetal and Bhumkar, Devika and Mali, Vishal and Bodhankar, Subhash L. and Bhagavatula L. V. Prasad} } @article { ISI:000265309100005, title = {Application of a stability-indicating thin-layer chromatographic method to the determination of tenatoprazole in pharmaceutical dosage forms}, journal = {Journal of AOAC International}, volume = {92}, number = {2}, year = {2009}, month = {MAR}, pages = {387-393}, publisher = {AOAC INT}, address = {481 N FREDRICK AVE, STE 500, GAITHERSBURG, MD 20877-2504 USA}, abstract = {

A sensitive, selective, precise, and stability-indicating thin-layer chromatographic (TLC) method was developed and validated for the determination of tenatoprazole both as a bulk drug and in formulation. The method uses TLC aluminum plates precoated with Silica Gel 60(F-254) as the stationary phase and the solvent system toluene-ethyl acetate-methanol (6 + 4 + 1, v/v/v). This system gave compact spots for tenatoprazole (R(f) value of 0.34 +/- 0.02). Tenatoprazole was subjected to acid and alkali hydrolysis, oxidation, and photodegradation. The peaks of the degradation products were well-resolved from that of the pure drug and had significantly different Rf values. Densitometric analysis of tenatoprazole was performed in the absorbance mode at 306 nm. The linear regression analysis data for the calibration plots showed a good linear relationship over the concentration range of 100-1500 ng/spot. The mean values of the correlation coefficient, slope, and intercept were 0.9989 +/- 1.42, 10.27 +/- 0.965, and 4894.2 +/- 1.24, respectively. The method was validated for precision, robustness, and recovery. The limit of detection and limit of quantitation were 50 and 100 ng/spot, respectively. Statistical analysis showed that the method is repeatable and selective for estimation of tenatoprazole. Because the method can separate the drug from its degradation products, it can be used to monitor stability.

}, issn = {1060-3271}, author = {Dhaneshwar, Sunil R. and Bhusari, Vidhya K. and Mahadik, Mahadeo V. and Santhakumari, B.} } @article { ISI:000264978500019, title = {Applications of a high performance platinum nanocatalyst for the oxidation of alcohols in water}, journal = {Green Chemistry}, volume = {11}, number = {4}, year = {2009}, month = {FEB}, pages = {554-561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1463-9262}, doi = {10.1039/b815948c}, author = {Maity, Prasenjit and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000270147700049, title = {Biochemical characterization of two xylanases from yeast Pseudozyma hubeiensis producing only xylooligosaccharides}, journal = {Bioresource Technology}, volume = {100}, number = {24}, year = {2009}, month = {DEC}, pages = {6488-6495}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Cellulase-free xylanase, Pseudozyma hubeiensis, Xylooligosaccharides}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.07.064}, author = {Adsul, Mukund G. and Bastawade, Kulbhushan B. and Gokhale, Digambar V.} } @article { ISI:000270362100043, title = {Carbon nanofiber with selectively decorated pt both on inner and outer walls as an efficient electrocatalyst for fuel cell applications}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {40}, year = {2009}, month = {OCT}, pages = {17572-17578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel electrocatalyst, with excellent Pi dispersion oil the inner and outer wall of a carbon nanofiber (CNF) was prepared by a modified polyol process in which both surface tension and polarity characteristics of the medium were properly adjusted to favor solution entry into the tubular region by capillary filling and homogeneous wetting of the inner wall surface by the solvents. The pristine CNF, which possesses an inherently active inner wall surface and inactive outer Wall surface, led to selective Pt deposition along the inner wall, whereas activation of the outer wall with chemical functionalization resulted in excellent dispersion of Pt along both inner and outer walls. Structural and morphological characterizations using high resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) revealed that when Pt could be dispersed along the inner as well as the Outer walls of CNF, the Pt particle size decreased to almost half as compared to the one With Pt decoration only along a single wall of the Substrate material. Further, electrochemical studies using cyclic voltammetry (CV) and rotating disk electrode (RDE) measurements revealed enhanced methanol oxidation and oxygen reduction properties, respectively. The electrochemical active area obtained for the catalyst with both inner and outer wall Pt decoration wits nearly two times higher than that corresponding to the one with only inner wall Pt decoration. Similarly, the rate constant for the oxygen reduction reaction displayed by this sample was four times higher in comparison with the sample prepared by Utilizing only one wall for Pt decoration.

}, issn = {1932-7447}, doi = {10.1021/jp9042655}, author = {Balan, Beena K. and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article { ISI:000270000000028, title = {Carboxylic-functionalized water soluble pi-conjugated polymer: highly selective and efficient chemosensor for mercury(II) ions}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {19}, year = {2009}, month = {OCT}, pages = {5144-5157}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Here, we report a new carboxylic-functionalized water soluble pi-conjugated polymer for selective detection of highly toxic Hg(2+) in neutral pH condition. carboxylic-functionalized thiophene containing oligophenylenevinylene was synthesized and polymerized under oxidative route to obtain water soluble polymer. Free carboxylic groups present in the pi-conjugated materials provide opportunity to use pH as external stimuli for studying secondary interaction such as hydrogen bonding and aromatic pi-stacking of the chromophores. The pH changes strongly influence on the molecular interactions in the monomer, whereas the long chain polymer was less disturbed. The polymer showed high selectivity for detecting Hg(2+) ions compared with any other transition metal ions in water. The detection efficiency of the polymer was found almost 40 times higher than that of its monomeric unit. Stern-Volmer constant for the Hg(2+) ion sensing was determined through concentration dependent studies as 6.4 x 10(5) M(-1). The carboxylic-functionalized polymer showed reversibility in the metal-ion detecting capabilities which was further investigated by NaCl complexation with Hg(2+) complex. Both funneling of excitation energy to the Hg(2+) center and also excitation energy migration through chain pi-conjugated backbone were correlated to the superior sensing characteristics of the polymer compared to its monomeric counterpart. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 5144-5157, 2009

}, keywords = {conjugated polymer, pH sensitive, photophysical studies, sensing, synthesis, water soluble}, issn = {0887-624X}, doi = {10.1002/pola.23566}, author = {Balamurugan, A. and Reddy, M. L. P. and Jayakannan, M.} } @article { ISI:000271443200015, title = {Catalytic activity of cobalt containing MCM-41 and HMS in liquid phase oxidation of diphenylmethane}, journal = {Catalysis Letters}, volume = {133}, number = {1-2}, year = {2009}, month = {NOV}, pages = {106-111}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Cobalt containing MCM-41 and HMS were synthesized by direct hydrothermal (DHT) and post synthesis methods (grafting and immobilization). The catalytic activity of these materials was investigated in the liquid phase oxidation of diphenylmethane at 80 A degrees C with TBHP (70 wt\%) as oxidant. Comparative study of cobalt containing MCM-41 and HMS was carried out to reveal the catalytic performance of framework, extraframework and immobilized cobalt species. The role of the solvent in the performance of catalyst was examined with different polar and non polar solvents. Oxidation of diphenylmethane in solvent free media (under similar reaction conditions) shows formation of hydroxy derivatives of benzophenone in addition to main product (benzophenone). Hundred percent selectivity to benzophenone was obtained when the reaction was carried out in solvent.

}, keywords = {diphenylmethane, HMS, Immobilization, MCM-41, XRD}, issn = {1011-372X}, doi = {10.1007/s10562-009-0162-1}, author = {Bhoware, Shrikant S. and Kamble, K. R. and Singh, A. P.} } @article { ISI:000268335600001, title = {Challenges associated with metal chelation therapy in alzheimer{\textquoteright}s disease}, journal = {Journal of Alzheimers Disease}, volume = {17}, number = {3}, year = {2009}, month = {JUL}, pages = {457-468}, publisher = {IOS PRESS}, address = {NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS}, abstract = {

A close association between brain metal dishomeostasis and the onset and/or progression of Alzheimer{\textquoteright}s disease ( AD) has been clearly established in a number of studies, although the underlying biochemical mechanisms remain obscure. This observation renders chelation therapy an attractive pharmacological option for the treatment of this disease. However, a number of requirements must be fulfilled in order to adapt chelation therapy to AD so that the term {\textquoteleft}{\textquoteleft}metal targeted strategies{\textquoteright}{\textquoteright} seems now more appropriate. Indeed, brain metal redistribution rather than brain metal scavenging and removal is the major goal of this type of intervention. The most recent developments in metal targeted strategies for AD will be discussed using, as useful examples, clioquinol, curcumin, and epigallocatechin, and the future perspectives will also be outlined.

}, keywords = {Alzheimer{\textquoteright}s disease, clioquinol, cuprizone, metal dishomeostasis, metal ions, nanomedicine, Parkinson{\textquoteright}s disease, polyphenols}, issn = {1387-2877}, doi = {10.3233/JAD-2009-1068}, author = {Hegde, Muralidhar L. and Bharathi, P. and Suram, Anitha and Venugopal, Chitra and Jagannathan, Ramya and Poddar, Pankaj and Srinivas, Pullabhatla and Sambamurti, Kumar and Rao, Kosagisharaf Jagannatha and Scancar, Janez and Messori, Luigi and Zecca, Luigi and Zatta, Paolo} } @article { ISI:000268650600020, title = {On the change in bacterial size and magnetosome features for magnetospirillum magnetotacticum (MS-1) under high concentrations of zinc and nickel}, journal = {Biomaterials}, volume = {30}, number = {25}, year = {2009}, month = {SEP}, pages = {4211-4218}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The characteristic size, shape and specific alignment of magnetite crystals synthesized by magnetotactic bacteria is a highly coordinated process with precise control over magnetosome vesicle formation, uptake and transport of Fe, and magnetite biomineralization. Magnetosome membranes along with some specific membrane proteins regulate crystal nucleation and morphology of magnetite. Several previous works have indicated that the morphology of mature magnetite crystals is largely unaffected by environmental conditions, though some recent studies have shown the possibility of manipulation of the biomineralization process. In this study we have examined the effects of high concentrations of Zinc and Nickel on the growth of Magnetospirillum magnetotacticum (MS-1) and the corresponding magnetosome formation. Using various characterizations it is shown that the growth of the bacterial cells, as well as the size, shape and magnetosome chain alignment is significantly influenced in the presence of high concentrations of Zn or Ni. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Biomineralization, magnetite, Magnetosome, Magnetospirillum magnetotacticum, Nickel, zinc}, issn = {0142-9612}, doi = {10.1016/j.biomaterials.2009.04.039}, author = {Kundu, S. and Kale, A. A. and Banpurkar, Arun G. and Kulkarni, G. R. and Ogale, S. B.} } @article { ISI:000262657300010, title = {Comparative study on liquid phase alkylation of 2-methylnaphthalene with long chain olefins using different solid acid catalysts}, journal = {Applied Catalysis A-General}, volume = {352}, number = {1-2}, year = {2009}, month = {JAN}, pages = {74-80}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A comparative study has been made over a variety of solid acid catalysts, which include isopoly and heteropoly ions supported on various supports such as zirconia, titania, a large variety of zeolites and a couple of mesoporous materials for liquid phasealkylation of 2-methylnaphthalene with 1-octene.All the catalyst systems were characterized by nitrogen sorption analysis, X-ray diffraction and NH(3)-TPD. Inspite of their high acid amounts zeolites gave poor catalytic performance due to their diffusional constraints; on the other hand mesoporous materials lacked diffusional constraints but due to their low acid amounts resulted in poor conversions. lsopoly and heteropoly ions supported on zirconia and titania were found to be catalytically active for the reaction due to total surface acidity. Among them, isopolytungstate supported on zirconia exhibited the best catalytic activity and was used for further optimization of reaction conditions. Excellent conversions of all olefins (\>92\%) with high selectivity of monoalkylmethylnaphthalene (\>95\%) was obtained under optimized reaction conditions. The catalyst could be recycled for several times without any obvious loss of its activity. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {2-Methylnaphthalene, Alkylation, Long chain olefins, Zirconia}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.09.032}, author = {Lucas, Nishita and Bordoloi, Ankur and Amrute, Amol P. and Kasinathan, Palraj and Vinu, Ajayan and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000265030200054, title = {Comparing ultraviolet and chemical reduction techniques for enhancing photocatalytic activity of silver oxide/silver deposited nanocrystalline anatase titania}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {15}, year = {2009}, month = {APR}, pages = {6243-6255}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Silver oxide/silver have been deposited, with varying silver concentration (0.01-10 mol \%), on the surface of sol-gel derived nanocrystal line anatase titania using two different techniques, namely the ultraviolet reduction and chemical reduction (using stannous ions). The pure and silver oxide/silver-deposited nanocrystalline anatase titania have been characterized for their morphology, average nanocrystal lite size, specific surface area, phases involved, surface chemistry, band gap, and photoluminescence using various analytical techniques, such as scanning electron microscopy, transmission electron microscopy, Brunauer, Emmett, and Teller surface-area measurement, X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet-visible spectrophotometry, and spectrofluorometry, respectively. The photocatalytic activity of pure and silver oxide/silver-deposited nanocrystalline anatase titania has been measured by monitoring the degradation of methylene blue dye in an aqueous solution under ultraviolet-radiation exposure. Within the investigated Ag-concentration range, the maximum photocatalytic activity has been observed for 0.1 and 10 mol \% Ag for the chemical-reduction (using stannous ions) and ultraviolet-reduction methods with the corresponding apparent first-order reaction-rate constant (k(app)) values of 0.228 and 0.151 min(-1), which are 3.5 and 2.3 times larger than that of pure nanocrystalline anatase fitania (0.065 min(-1)). The chemical-reduction method (using stannous ions), hence, appears to be more effective than the ultraviolet-reduction method for enhancing the photocatalytic activity of nanocrystalline anatase titania. Various factors such as the surface concentration of superoxide ions, oxygen-ion vacancies, and stannous ions as well as the amount of silver oxide/silver and tin oxide are observed to control the surface-adsorption of methylene blue and photoinduced electron/hole lifetime and, hence, variation in the photocatalytic activity as a function of silver concentration.

}, issn = {1932-7447}, doi = {10.1021/jp8105343}, author = {Priya, R. and Baiju, K. V. and Shukla, S. and Biju, S. and Reddy, M. L. P. and Patil, K. and Warrier, K. G. K.} } @article {42552, title = {Comparison of feature selection and classification combinations for cancer classification using microarray data}, journal = { International Journal of Bioinformatics Research and Applications}, volume = {5}, year = {2009}, month = {JAN}, pages = {417-431 }, doi = {10.1504/IJBRA.2009.027515}, author = {Vijayan, V. and Bulsara, B. and Gadgil, Chetan J. and Gadgil, Mugdha} } @article { ISI: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:000271552400019, title = {Conformational characterization of human eukaryotic initiation factor 2 alpha: a single tryptophan protein}, journal = {Biochemical and Biophysical Research Communications}, volume = {390}, number = {2}, year = {2009}, month = {DEC}, pages = {273-279}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {Circular dichroism, heIF2 alpha, K562 cells, Molten globule, Steady-state and time-resolved fluorescence}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2009.09.106}, author = {Sreejith, R. K. and Yadav, Viveka Nand and Varshney, Nishant K. and Berwal, Sunil K. and Suresh, C. G. and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article { ISI:000267115600005, title = {Consequence of hazards on some petroleum storage tanks and model for off-site emergency plan}, journal = {Disaster Advances}, volume = {2}, number = {2}, year = {2009}, month = {APR}, pages = {36-40}, publisher = {DISASTER ADVANCES}, address = {SECTOR AG-80, SCHEME NO 54, VIJAY NAGAR, A B RD, INDORE, 452010, INDIA}, abstract = {

Explosions, fire and the release of toxic gase cause deaths and injuries to workers and the public, resulting in the evacuation of communities and adversely affecting the environment as a whole. The primary objective of the off-site emergency plan for a hazardous installation is the prevention of accidents. The prevention of accidents involving hazardous substances is the concern of everyone. The poolfire from a petroleum storage tank leads to fatal consequences. This paper highlights some salient features of the emergency scenario from four petroleum storage tanks situated in Budge Budge area, 24 Pgs(S), West Bengal, which ultimately lead to poolfire with enormous heat wave all around and their consequence analysis, affected areas, rescue and evacuation plans, communication and public information systems, roles and responsibilities of the district emergency authority, police, fire and medical authorities.

}, keywords = {MAH industries, Off-site emergency plan, Petroleum storage tank, Poolfire, radial distance}, issn = {0974-262X}, author = {Biswajit, Ruj and Chattaraj, Pratim Kumar and Rehman, I and Ray, B. C.} } @article {42749, title = {Copper (I) complexes of a thioether-functionalized short-bite aminobis(phosphonite)}, journal = {Polyhedron}, volume = {28}, year = {2009}, month = {NOV}, pages = {101{\textendash}106}, abstract = {

Copper(I) complexes of short-bite aminobis(phosphonite), PhN{P({\textendash}OC10H6(μ-S)C10H6O{\textendash})}2 (1) have been synthesized. Reactions of 1 with an excess of CuX (X = Cl, Br, and I) afforded the ligand-bridged binuclear complexes, [PhN(PR-κP)2{Cu(μ-X)(MeCN)}2] (2, X = Cl; 3, X = Br; 4, X = I; R = {\textendash}OC10H6(μ-S)C10H6O{\textendash}), whereas treatment with 0.5 equiv. of [Cu(MeCN)4]PF6 produces the mononuclear bischelated cationic complex, [{PhN(PR-κP)2}2Cu](PF6) (5). Single crystal X-ray structures of complexes 3 and 4 are reported. Complex 3 shows strong π{\textendash}π stacking interactions between the naphthyl moieties, whereas complex 4 shows ligand-supported Cu...Cu metallophilic interactions.

}, doi = {10.1016/j.poly.2008.10.014}, author = {Punji, Benudhar and Mague, Joel T. and Mobin, Shaikh M. and Balakrishna, Maravanji S.} } @article {42458, title = {Copper-catalyzed synthesis of 2-unsubstituted, n-substituted benzimidazoles}, journal = {Journal of Organic Chemistry}, volume = {74}, year = {2009}, month = {NOV}, pages = {9570{\textendash}9572}, abstract = {

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

}, doi = {10.1021/jo902160y}, author = {Hirano, Keiichi and Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000261342600009, title = {Correlations of thermodynamic properties of aqueous amino acid-electrolyte mixtures}, journal = {Journal of Solution Chemistry}, volume = {38}, number = {1}, year = {2009}, month = {JAN}, pages = {95-114}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Suitable equations have been proposed to correlate thermodynamic properties, like mean ion activity coefficients, volumes and compressibilities, of amino acids in electrolyte solutions. An amino acid-electrolyte-water interaction parameter is extracted from the regression of the amino acid property values in aqueous electrolyte solution that is then transferred to an expression to correlate the properties of the electrolyte in mixtures. The single interaction parameter can successfully correlate the published data on mean ion activity coefficients, apparent molar volumes and compressibilities of amino acids as well as of electrolytes in their aqueous mixtures. The equations are tested against the large number of experimental data sets available in the literature.

}, keywords = {Amino acids, Electrolytes, Pitzer equation, Thermodynamic properties}, issn = {0095-9782}, doi = {10.1007/s10953-008-9355-2}, author = {Saritha, C. and Satpute, Dilip B. and Badarayani, Rohini and Kumar, Anil} } @article { ISI:000271103500032, title = {Development of correlations for overall gas hold-up, volumetric mass transfer coefficient, and effective interfacial area in bubble column reactors using hybrid genetic algorithm-support vector regression technique: viscous newtonian and non-newtonian liq}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9631-9654}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie801834w}, author = {Gupta, Prashant P. and Merchant, Shamel S. and Bhat, Akshay U. and Gandhi, Ankit B. and Bhagwat, Sunil S. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000270450400265, title = {Diethyl [(5-chloro-2-hydroxyanilino)(4-chlorophenyl)methyl]phosphonate}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {65}, number = {10}, year = {2009}, month = {OCT}, pages = {O2506+}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

In the title compound, C17H20Cl2NO4P, the P atom is bonded in a distorted tetrahedral environment. The dihedral angle between the two benzene rings is 80.5 (1)degrees. In the crystal structure, intermolecular O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link pairs of molecules into centrosymmetric dimers. These dimers, are in turn, linked by weak intermolecular C-H center dot center dot center dot O hydrogen bonds into one-dimensional chains along [010]. Additional stabilization is provided by very weak C-H center dot center dot center dot Cl interactions.

}, issn = {1600-5368}, doi = {10.1107/S1600536809037039}, author = {Krishnaiah, M. and Babu, V. H. H. Surendra and Prasad, G. Syam and Reddy, C. Suresh and Puranik, Vedavati G.} } @article { ISI:000268436500020, title = {Dipolar S=O center dot center dot center dot C=O and C-H center dot center dot center dot O interactions in the molecular organization of 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, number = {7}, year = {2009}, month = {JUL}, pages = {O335-O338}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, issn = {0108-2701}, doi = {10.1107/S0108270109017211}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000271072500019, title = {Disproportionation of ethylbenzene in the presence of C-8 aromatics}, journal = {Journal of Natural Gas Chemistry}, volume = {18}, number = {3}, year = {2009}, month = {SEP}, pages = {369-374}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The selective synthesis of p-diethylbenzene (p-DEB) by disproportionation of ethylbenzene (EB) in the presence of aromatics like m- and p-xylene isomers has been studied over a pore size regulated HZSM-5 catalyst. The industrial feed having different compositions of ethylbenzene and xylene isomers was used for the experimentation. Hence, they were expected to hinder the movement of reactant molecules both on the external surface and within the zeolite channels. It was observed that irrespective of the different feed compositions the concentration of the xylene isomers was intact in the product. There is no other byproducts formation like para-ethylmethyl benzene. The effects of varying the concentration of aromatic compounds in the feed on ethylbenzene conversion and product distribution over the parent and modified H-ZSM-5 catalyst have been discussed. Ethylbenzene disproportionation reaction follows the pseudo first order reaction with an activation energy of 8.6 kcal/mol.

}, keywords = {Catalyst, diethylbenzene, disproportionation, ethylbenzene, xylene isomers}, issn = {1003-9953}, doi = {10.1016/S1003-9953(08)60125-5}, author = {Sharnappa, N. and Pai, S. and Bokade, Vijay V.} } @article { ISI:000270770900015, title = {Doping-induced microstructural, textural and optical properties of In2Ti1-xVxO5+delta semiconductors and their role in the photocatalytic splitting of water}, journal = {Materials Chemistry and Physics}, volume = {117}, number = {2-3}, year = {2009}, month = {OCT}, pages = {399-407}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {In2Ti1-xVxO5+delta photocatalysts, Luminescence spectroscopy, Microstructure, Optical properties, Structure-activity relationship, water splitting}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.06.013}, author = {Shah, Pallavi and Bhange, Deu S. and Deshpande, Aparna and Kulkarni, Mukund S. and Gupta, Narendra M.} } @article { ISI:000271506600038, title = {Effect of chirality of L/D-proline and prochiral glycine as the linker amino acid in five-atom linked thymidinyl-(alpha-aminoacid)-thymidine dimers}, journal = {Chemical Communications}, number = {43}, year = {2009}, month = {SEP}, pages = {6646-6648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The chirality of the amide linker in dimer blocks was found to have a profound effect on the orientation of base stacking interactions as studied by CD and NMR spectroscopy.

}, issn = {1359-7345}, doi = {10.1039/b913546d}, author = {Seema Bagmare and D{\textquoteright}Costa, Moneesha and Kumar, Vaijayanti A.} } @article { ISI:000263864900016, title = {Efficient gamma-Fe2O3 catalyst for liquid phase air oxidation of p-hydroxybenzyl alcohol under mild conditions}, journal = {Catalysis Communications}, volume = {10}, number = {5}, year = {2009}, month = {JAN}, pages = {485-489}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Air oxidation, gamma-Fe2O3, p-Hydroxybenzaldehyde, p-Hydroxybenzyl alcohol, scanning electron microscopy}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.10.044}, author = {Garade, Ajit C. and Bharadwaj, M. and Bhagwat, S. V. and Athawale, A. A. and Rode, C. V.} } @article { ISI:000263749400010, title = {Efficient, rapid, and regioselective bromination of anilines and phenols with 1-butyl-3-methylpyridinium tribromide as a new reagent/solvent under mild conditions}, journal = {Tetrahedron Letters}, volume = {50}, number = {9}, year = {2009}, month = {MAR}, pages = {1007-1009}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

1-Butyl-3-methylpyridinium tribromide, [BMPy]Br(3) proves to be a highly efficient, regioselective reagent/solvent for nuclear bromination of various anilines and phenols. The synthesis and characterization of the room temperature ionic liquid [BMPy]Br(3) (2) is described. The bromination was carried out in the absence of organic solvents and in most cases the only extraction solvent needed was water. The spent 1-butyl-3-methylpyridinium bromide (1) was easily recycled. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Bromination, Ionic liquid, Regioselective, [BMPy]Br(3)}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.12.053}, author = {Borikar, Sanjay P. and Daniel, Thomas and Paul, Vincent} } @article { ISI:000272052200068, title = {Enhanced nonvolatile resistive switching in dilutely cobalt doped TiO2}, journal = {Applied Physics Letters}, volume = {95}, number = {20}, year = {2009}, month = {NOV}, pages = {203502}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Incorporation of dilute concentration of dopant having a valence state different than that of the host cation enables controlled incorporation proximity vacancy defects for local charge balance. Since nonvolatile resistive switching is a phenomenon tied to such defects, it can be expected to be influenced by dilute doping. In this work, we demonstrate that enhanced nonvolatile resistive switching is realized in dilutely cobalt doped TiO2 films grown at room temperature. We provide essential characterizations and analyses. We suggest that the oxygen vacancies in the proximity of immobile dopants provide well distributed anchors for the development of systematic filamentary tracks.

}, keywords = {cobalt, Doping, magnetic switching, random-access storage, titanium compounds, vacancies (crystal), valency}, issn = {0003-6951}, doi = {10.1063/1.3263713}, author = {Bogle, Kashinath A. and Bachhav, Mukesh N. and Deo, Meenal S. and Valanoor, Nagarajan and Ogale, Satishchandra B.} } @article { ISI:000263070700020, title = {Enhanced solar-radiation induced photocatalytic activity of surface-modified nanocrystalline anatase-titania}, journal = {Catalysis Letters}, volume = {128}, number = {1-2}, year = {2009}, month = {MAR}, pages = {137-143}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Sol-gel derived pure nanocrystalline (similar to 20-30 nm) anatase-titania has been surface-modified by depositing silver(I) oxide and silver (predominantly the former) via UV-reduction process. The pure and surface-modified nanocrystalline anatase-titania have been characterized using different analytical techniques for determining the average nanocrystallite size, phase-contents, surface-chemistry, as well as the absorption and photoluminescence characteristics. It is demonstrated that, the latter exhibits an enhanced solar-radiation induced photocatalytic activity as compared to that of the former as a result of the absorption in the visible-region and enhanced photo-induced e(-)/h(+) life-time, both caused by the surface-deposition of silver(I) oxide and silver.

}, keywords = {Nanocrystalline, Photocatalysis, Silver, sol-gel, titania, UV-reduction}, issn = {1011-372X}, doi = {10.1007/s10562-008-9704-1}, author = {Priya, R. and Baiju, K. V. and Shukla, S. and Biju, S. and Reddy, M. L. P. and Patil, K. R. and Warrier, K. G. K.} } @article { ISI:000262301900031, title = {Enhancing intermolecular benzoyl-transfer reactivity in crystals by growing a {\textquoteleft}{\textquoteleft}reactive{\textquoteright}{\textquoteright} metastable polymorph by using a chiral additive}, journal = {Chemistry-A European Journal}, volume = {15}, number = {1}, year = {2009}, month = {NOV}, pages = {261-269}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Acylation, carbohydrates, Crystal growth, cyclitols, solid-state reactions}, issn = {0947-6539}, doi = {10.1002/chem.200801484}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000208013800003, title = {Eudragit (R) EPO based nanoparticle suspension of andrographolide: in vitro and in vivo}, journal = {Nanoscience and Nanotechnology Letters}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {156-164}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Characteristic formulation of an isolated active phytoconstituent is of great therapeutic significance. The purpose of this work was to develop Eudragit (R) EPO based nanoparticle suspension of isolated andrographolide in order to increase its solubility and efficacy. Andrographolide was isolated from Andrographis paniculata and Its Nanoparticle suspension was prepared by precipitation technique. The 3(2) factorial design was used to study the effect of Eudragit (R) EPO and Pluronic (R) F-68 on characteristics of nanoparticle suspension. The optimized formulation was subjected to lyophilization. The nanoparticle suspension, lyophilized suspension and the redispersed lyophilized nanoparticle suspension were characterized by drug content, encapsulation efficiency, particle size, electrokinetic properties, DSC, PXRD, FTIR, TEM and in vitro drug release. Optimized batch showed particle size 255 +/- 9 nm with encapsulation efficiency 93.8 +/- 0.67\% and zeta potential 29.3 +/- 3.4 mV. There was marked increase in drug dissolution with complete drug release within 10 minutes in nanoparticle suspension and redispersed naoparticle suspension as compared to pure drug. However, lyophilization retarded the drug release. The nanoparticle suspension and redispersed nanoparticle suspension also showed improved hepatoprotectivity as compared to andrographolide against CCl(4)-induced hepatotoxicity in rats. The results were confirmed by histopathological studies on hepatic lesions. Thus particle engineering can be used to improve pharmaceutical properties of phytoconstituents.

}, keywords = {Andrographolide, Eudragit (R) EPO, Hepatoprotective Activity, Nanoparticle Suspension, Pluronic (R) F-68}, issn = {1941-4900}, doi = {10.1166/nnl.2009.1029}, author = {Bothiraja, C. and Pawar, Atmaram P. and Shaikh, Karimunnisa S. and Sher, Praveen} } @article { ISI:000272536800003, title = {Evaluation of high performance liquid chromatography purified leptospiral antigen for the diagnosis of leptospirosis}, journal = {Japanese Journal of Infectious Diseases}, volume = {62}, number = {6}, year = {2009}, month = {NOV}, pages = {428-431}, publisher = {NATL INST INFECTIOUS DISEASES}, address = {JPN J INFECT DIS ED OFF NATL INST INFECTIOUS DISEASES TOYAMA 1-23-1, SHINJUKU-KU, TOKYO, 162-8640, JAPAN}, abstract = {

Leptospirosis is a re-emerging infection, and often occurs in outbreaks. Early diagnosis is important for appropriate control measures and treatment. The sensitivity and specificity of the diagnostic test depends on the antigen, which is used for the detection of antibodies. In the present study, an effort was made to purify and characterize leptospiral antigens, and their performance in the laboratory was assessed. Leptospira biflexa semaranga, Patoc was subjected to processing by the heat extraction method, and the crude antigenic preparation was subjected to high-performance liquid chromatography for purification. The purified antigen fractions were subjected to enzyme-linked immunosorbent assay (ELISA) to determine their reactivity. Only the reactive fractions were tested for specificity by ELISA by allowing the fractions to react with positive sera of patients with non-leptospiral illness. H1, the purified antigen fraction of the heat-extracted preparation, was found to be the most reactive and specific of all fractions tested. The protein was found to have a molecular weight of 50 kDa. The performance of H1 in the laboratory was assessed by formulating an in-house ELISA using the H1 antigen. The results were compared with those of microscopic agglutination testing and commercial ELISA. The specificity and sensitivity of in-house ELISA using the H1 antigen were found to be 93.3 and 85.0\%, respectively.

}, issn = {1344-6304}, author = {Pol, Sae and Bharadwaj, Renu} } @article { ISI:000267498700010, title = {Field emission investigation of single Fe-doped SnO2 wire}, journal = {Solid State Sciences}, volume = {11}, number = {6}, year = {2009}, month = {JUN}, pages = {1114-1117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Tin oxide submicronwires doped with Fe element were prepared by the thermal evaporation method. Morphological and structural characterizations revealed wires with sub micron size and crystalline in nature. The field electron emission from the single Fe:SnO2 wire was carried out in conventional field emission microscope. The Fowler-Nordheim plot obtained from I-V characteristics of the wire showed a linear behavior typical that of metal. The field enhancement factor estimated from the slope of the F-N plot is 7455 cm(-1), indicating that the field emission is from nanometric features of the emitter. A current density of 10 A/cm(2) has been obtained at an applied field of 4.845 x 10(3) V/mu m. The field emission current-time record at a current level of 1 mu A for more than 3 h duration is promising for various field emissions based applications. (C) 2009 Published by Elsevier Masson SAS.

}, keywords = {Current stability, Fe doped, field emission, SnO2}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2009.02.011}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, Bhaskar R. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000267983100004, title = {First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach}, journal = {Journal of Chemical Physics}, volume = {131}, number = {2}, year = {2009}, month = {JUL}, pages = {024102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Fock space multireference coupled-cluster (FSMRCC) method emerged as an efficient tool to describe the electronic structure of nearly degenerate cases. Development of linear response has been one of the challenging problems in FSMRCC due to the multiple-root nature of the effective Hamiltonian. A response from any of the roots would span the space for getting the properties. Hence, all roots perturbed by the external field would proliferate the excited states. We recently developed the FSMRCC method for the efficient evaluation of analytic response properties using a constrained variation approach. In this paper, we present analytic dipole moments and polarizabilities of H2O, O-3, and CH+ molecules in low-lying excited states along with brief discussion of singlet triplet decoupling of (1,1) sector of FSMRCC resulting from spin adaptation. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3167796]

}, issn = {0021-9606}, doi = {10.1063/1.3167796}, author = {Bag, Arijit and Manohar, Prashant Uday and Vaval, Nayana and Pal, Sourav} } @article { ISI:000265958900008, title = {First ionic liquid-promoted Kabbe condensation reaction for an expeditious synthesis of privileged bis-spirochromanone scaffolds}, journal = {Tetrahedron Letters}, volume = {50}, number = {22}, year = {2009}, month = {JUN}, pages = {2643-2648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A variety of privileged bis-spirochromanones were synthesized for the First time from 4,6-diacetyl resorcinol in one-pot by carrying out the Kabbe condensation in loom temperature ionic liquid [bbim]Br. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Bis-spirochromanone, Ionic liquid, Kabbe condensation, Morpholine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.104}, author = {Muthukrishnan, Murugan and Basavanag, U. M. V. and Puranik, Vedavati G.} } @article {42757, title = {Functional delivery of siRNA in mice using dendriworms}, journal = {ACS Nano}, volume = {3}, year = {2009}, month = {SEP}, pages = {2495-2504}, doi = {10.1021/nn900201e}, author = {Agrawal, Amit C. and Min, Dal-Hee and Singh, Neetu and Zhu, Haihao and Birjiniuk, Alona and von Maltzahn, Geoffrey and Harris, Todd J. and Xing, Deyin and Woolfenden, Stephen D. and Sharp, Phillip A. and Charest, Alain and Bhatia, Sangeeta N.} } @article { ISI:000272376800026, title = {H(2)S gas sensitive indium-doped ZnO thin films: preparation and characterization}, journal = {Sensors and Actuators B-Chemical}, volume = {143}, number = {1}, year = {2009}, month = {DEC}, pages = {164-170}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

High quality indium-doped ZnO (IZO) thin films (similar to 100 nm) have been deposited onto the glass substrates by using a conventional spray pyrolysis technique. Precursors such as zinc acetate, indium chloride with Brij-35 (polyoxyethylene lauryl ether) as a non-ionic surfactant were used. The morphology, crystal structure, elemental analysis and the gas response properties were investigated by using SEM, TEM, XRD, AFM and XPS techniques. The films show hexagonal wurtzite structure which reveal variations in (100). (00 2) and (10 1) intensities with indium doping. The crystallite size calculated by Scherrer formula was in the range of 30-50 nm. The SEM and AFM analysis show 50-70 nm sized grains, while the TEM confirms formation of grains by similar to 10nm sized particles. Their response towards various gases was measured at different operating temperatures and different levels of In-dopants. The 3 at\% In-doped ZnO showed response as high as 13,000 for 1000ppm H(2)S at 250 degrees C. It exhibited fast response (similar to 2s) and recovery time (similar to 4 min). The gas response strongly depends on the morphology and indium concentration. The high gas response of IZO is explained on the basis of thickness dependent trap state density. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogen sulfide sensor, Indium oxide, Spray pyrolysis, thin film, Zinc oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2009.08.056}, author = {Badadhe, Satish S. and Mulla, Imtiaz S.} } @article { ISI:000269877500009, title = {High energy electron irradiation effects on polystyrene films}, journal = {Radiation Effects and Defects in Solids}, volume = {164}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914466497}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

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

}, keywords = {electrons, optical spectroscopy, Polymers, radiation}, issn = {1042-0150}, doi = {10.1080/10420150903173262}, author = {Mathad, R. D. and Kumar, H. G. Harish and Sannakki, B. and Ganesh, S. and Sarma, K. S. S. and Badiger, Manohar V.} } @article { ISI:000269337500015, title = {Highly diastereoselective 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate: synthesis of polyhydroxylated perhydroazaazulenes}, journal = {Synlett}, number = {12}, year = {2009}, month = {JUL}, pages = {1959-1963}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An intermolecular 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate was found to be perfectly diastereoselective at the nitrone carbon to give exclusive formation of isoxazolidine. The N-O bond reductive cleavage in isoxazolidine followed by lactam reduction afforded a pyrrolidine ring skeleton with sugar appendage that on acetonide cleavage and reductive amino-cyclization gave hitherto unknown hydroxymethyl-substituted hexa- and pentahydroxy perhydroazaazulenes.

}, keywords = {1, 3-dipolar nitrone olefin cycloaddition (DNOC), diastereoselectivity, Iminosugars, inhibitors, nitrone}, issn = {0936-5214}, doi = {10.1055/s-0029-1217541}, author = {Bande, Omprakash P. and Jadhav, Vrushali H. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000268131400009, title = {Highly efficient recyclable hydrated-clay supported catalytic system for atom transfer radical polymerization}, journal = {Chemical Communications}, number = {30}, year = {2009}, month = {JUN}, pages = {4518-4520}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Atom transfer radical polymerization of methacrylates has been performed using hydrated natural clay as a support for a CuBr(2)-ligand complex and the supported clay catalyst has been recycled for 21 batch polymerizations without losing its activity.

}, issn = {1359-7345}, doi = {10.1039/b908118f}, author = {Munirasu, Selvaraj and Aggarwal, Ravi and Baskaran, Durairaj} } @article {42730, title = {Hydrophosphonylation of activated alkenes and alkynes via fluoride ion activation in ionic liquid medium}, journal = {Tetrahedron}, volume = {65}, year = {2009}, month = {JUL}, pages = {7603{\textendash}7610}, abstract = {

A simple transition metal-free hydro/hydrothiophosphonylation of Baylis{\textendash}Hillman adducts, substituted allyl bromides, allenylphosphonates and alkynes, promoted by fluoride ion in ionic liquid, is described. Clear-cut evidence for fluoride activation of the phosphite via pentacoordinate phosphorus is provided for the first time. Also, in a comparative reaction, the product obtained was different from that from the palladium catalyzed one. Structures of key products are proven by X-ray crystallography.

}, doi = {10.1016/j.tet.2009.06.096}, author = {Balaraman, Ekambaram and Srinivas, Venu and Swamy, K. C. Kumara} } @article { ISI:000267914600004, title = {Identification of Indian pathogenic races of fusarium oxysporum f. sp ciceris with gene specific, ITS and random markers}, journal = {Mycologia}, volume = {101}, number = {4}, year = {2009}, month = {AUG}, pages = {484-495}, publisher = {ALLEN PRESS INC}, address = {810 E 10TH ST, LAWRENCE, KS 66044 USA}, abstract = {

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

}, keywords = {AFLP, F. oxysporum f. sp ciceris races, gene specific amplification, ISSR, ITS-RFLP, race delineation, sequence characterization, translation elongation factor (EF-1 alpha)}, issn = {0027-5514}, doi = {10.3852/08-085}, author = {Gurjar, Gayatri and Barve, Maneesha and Giri, Ashok P. and Gupta, Vidya} } @article { ISI:000269598900010, title = {In situ synthesis of water dispersible bovine serum albumin capped gold and silver nanoparticles and their cytocompatibility studies}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {73}, number = {2}, year = {2009}, month = {OCT}, pages = {224-228}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple and convenient one step room temperature method is described for the synthesis of bovine serum albumin (BSA) capped gold and silver nanoparticles. BSA reduces silver ions to silver nanoparticles but does not directly reduce gold ions to gold nanoparticles at room temperature and varying pH conditions. However, when silver and gold ions are simultaneously added to BSA, silver ions get reduced to metallic silver first and these in turn reduce gold ions to gold nanoparticles through a galvanic exchange reaction. The so synthesized silver and gold nanoparticles are easily water dispersible and can withstand addition of salt even at high concentrations. It is shown that the capped protein retains its secondary structure and the helicity to a large extent on the nanoparticles surface and that the protein capping makes the nanoparticles cytocompatible. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Ag and Au nanoparticles, Bovine serum albumin, Cytocompatibility, Galvanic exchange reaction, Reductive synthesis}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2009.05.029}, author = {Murawala, Priyanka and Phadnis, S. M. and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @article { ISI:000271252400004, title = {Incorporation of tin in different types of pores in SBA-15: synthesis, characterization and catalytic activity}, journal = {Microporous and Mesoporous Materials}, volume = {126}, number = {3}, year = {2009}, month = {DEC}, pages = {234-244}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mesoporous Sn-SBA-15 has been synthesized by three different methods Such as conventional hydrothermal route, using cocatalyst NH4F and in the presence of organosilane precursor. All the materials are thoroughly characterized by powder X-ray diffraction (XRD), SEM. TEM. N-2 sorption and surface area measurements, diffuse-reflectance UV-visible and FTIR spectroscopy. TG-DTA and elemental analysis through ICP. Nitrogen adsorption data, XRD patterns, and TEM observations Suggests that the textural properties are retained during the isomorphous substitution of silicon by tin. ICP chemical analysis indicates that tin can be substituted in the range of S-l/S-n = 69-162. UV-visible spectra of samples synthesized by the cocatalytic approach exhibit unique absorption band at 213 nm characteristics of tin atom substituted in the smaller pores (2-3 nm) located inside the walls of mesopores. Further, an additional band at 224 nm can be assigned to Sri atoms located in the distorted tetrahedral position along the primary mesopores. In contrary, only one absorption band centered at 224 nm is observed for all the samples synthesized by conventional hydrothermal as well as in the presence of organosilane precursor. F-19 NMR spectra confirmed (no signal) the absence of occluded F- ions in the samples made with NH4F. Observed high catalytic activity in Baeyer-Villiger oxidation and Meerwin-Pondorf-Verly reduction under the liquid-phase conditions suggest the incorporation of a portion of tin in the smaller pores for the Sn-SBA-15 materials synthesized through cocatalyst method. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Baeyer-Villiger oxidation, catalysis, Functionalization of mesopores, Meerwin-Pondorf-Verly reduction, Sn-SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2009.05.038}, author = {Sasidharan, M. and Kiyozumi, Y. and Mal, N. K. and Paul, M. and Rajamohanan, P. R. and Bhaumik, Asim} } @article { ISI:000272134300006, title = {Interaction of alpha-mannosidase from aspergillus fischeri with glycosidase inhibitors, metal ions and group specific reagents}, journal = {Research Journal of Biotechnology}, volume = {4}, number = {4}, year = {2009}, month = {NOV}, pages = {39-48}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

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

}, keywords = {active-site, alpha-Mannosidase, Chemical modification, Glycosidase inhibitors, metal ions}, issn = {0973-6263}, author = {Shashidhara, K. S. and Gaikwad, S. M. and Khan, Mohammad Islam and Bharadwaj, Kishor Chandra and Pandey, G.} } @article { ISI:000269926200012, title = {Intermediate hamiltonian hilbert space coupled cluster method: theory and pilot application}, journal = {International Journal of Quantum Chemistry}, volume = {109}, number = {13}, year = {2009}, month = {NOV}, pages = {2909-2915}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The intermediate Hamiltonian state universal (Hilbert-space) coupled-cluster method is presented, using a formalism similar to that developed for the valence universal (Fock-space) approach. The method is expected to be applicable to many states not accessible by traditional multiroot multireference all-order size-extensive approaches. A pilot application to excited states of atomic beryllium shows good convergence and agreement with experiment and full CI values. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2909-2915, 2009

}, keywords = {coupled cluster, Hilbert space, intermediate Hamiltonian}, issn = {0020-7608}, doi = {10.1002/qua.22155}, author = {Eliav, Ephraim and Borschevsky, Anastasia and Shamasundar, K. R. and Pal, Sourav and Kaldor, Uzi} } @article { ISI:000266411800024, title = {Isostructural molecular strings linked via conserved dipolar (ether) O center dot center dot center dot C=O short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {CrystEngComm}, volume = {11}, number = {6}, year = {2009}, month = {JAN}, pages = {1022-1029}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1466-8033}, doi = {10.1039/b818888b}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000270759600015, title = {LC-UV and LC-MS evaluation of stress degradation behaviour of tenatoprazole}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {50}, number = {5}, year = {2009}, month = {DEC}, pages = {787-793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In the present study, comprehensive stress testing of tenatoprazole was carried out according to ICH guideline Q1A (R2). Tenatoprazole was subjected to stress conditions of hydrolysis, oxidation, photolysis and neutral decomposition. Additionally, the solid drug was subjected to 50 degrees C for 60 days in dry-bath, and to the combined effect of temperature and humidity at 40 degrees C/75\% RH. Extensive degradation was found to occur in acidic, neutral and oxidative conditions. Mild degradation was observed in basic conditions. The drug is relatively stable in the solid-state. The products formed under different stress conditions were investigated by LC and LC-MS. Successful separation of drug from degradation products formed under stress conditions was achieved on a Chemito ODS-3 column [C(18) (5 mu m, 250 mm x 4.6 mm, i.d.)] using methanol: 0.01 M acetate buffer pH 4.5 adjusted with glacial acetic acid (55:45) as the mobile phase at flow rate of 1 mL/min and the peak was detected using a UV detector set at 306 nm. The LC-MS m/z values and fragmentation patterns of degradation products formed under different stress conditions were studied and characterized through LC-MS fragmentation. Based on the results, degradation pathway for drug has been proposed. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {HPLC, Stability-indicating method, Stress studies, Tenatoprazole, Validation}, issn = {0731-7085}, doi = {10.1016/j.jpba.2009.06.026}, author = {Mahadik, Mahadeo V. and Bhusari, Vidhya K. and Kulkarni, Mahesh J. and Dhaneshwar, Sunil R.} } @article { ISI:000268376100057, title = {Mannitol production from glycerol by resting cells of Candida magnoliae}, journal = {Bioresource Technology}, volume = {100}, number = {20}, year = {2009}, month = {OCT}, pages = {4911-4913}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Candida magnoliae, Glycerol, Mannitol production, Resting cells}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.04.048}, author = {Khan, Asiya and Bhide, Amey J. and Gadre, Ramchandra V.} } @article { ISI:000265811500009, title = {Mesoporous silica immobilized cobalt complex: an efficient catalyst for epoxides ring opening by aromatic amines under ambient conditions}, journal = {Catalysis Communications}, volume = {10}, number = {10}, year = {2009}, month = {MAY}, pages = {1398-1403}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Cobalt complex, CobpbH(2)Cl(2)2H(2)O [where

}, keywords = {beta-Amino alcohols, CobpbH(2)Cl(2)2H(2)O complex, Epoxide ring opening, Immobilization, SBA-15}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.03.005}, author = {Bordoloi, Ankur and Hwang, Young Kyu and Hwang, Jin-Soo and Halligudi, Shivaraj B.} } @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:000264969200041, title = {Microwave-assisted synthesis and humidity sensing of nanostructured alpha-Fe2O3}, journal = {Materials Research Bulletin}, volume = {44}, number = {5}, year = {2009}, month = {MAY}, pages = {1179-1182}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Nanocrystalline alpha-Fe2O3 has been prepared on a large-scale by a facile microwave-assisted hydrothermal route from a solution of Fe(NO3)(3)center dot 9H(2)O and pentaerythritol. A systematic study of the morphology, crystallinity and oxidation state of Fe using different characterization techniques. Such as transmission electron microscopy, X-ray diffraction, and X-ray photoelectron spectroscopy was performed It reveals. that nanostructured alpha-Fe2O3 comprises bundles of nanorods with a rhombohedral crystalline Structure. The individual nanorod has 8-10 nm diameter and similar to 50 nm length. The as-prepared nanostructured alpha-Fe2O3 (sensor) gives selective response towards humidity. The sensor shows high sensitivity, fast linear response to change in the humidity with almost 100\% reproducibility. The sensor works at room temperature and rejuvenates without heat treatment. The as-prepared nanostructured alpha-Fe2O3 appears to be a promising humidity sensing material with the potential for commercialization. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Electrical properties, Nanostructures, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.09.044}, author = {Deshmukh, Rupali G. and Badadhe, Satish S. and Mulla, Imtiaz S.} } @article {42728, title = {Mitsunobu and related reactions: advances and applications}, journal = {Chemical Reviews}, volume = {109}, year = {2009}, month = {APR}, pages = {2551{\textendash}2651}, doi = {10.1021/cr800278z}, author = {Swamy, K. C. Kumara and Kumar, N. N. Bhuvan and Balaraman, Ekambaram and Kumar, K. V. P. Pavan} } @article { ISI:000265811500010, title = {MoO3/SiO2: an efficient and selective catalyst for the synthesis 1,3-dioxolane and 1,3-dioxane}, journal = {Catalysis Communications}, volume = {10}, number = {10}, year = {2009}, month = {MAY}, pages = {1404-1409}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of MoO3/SiO2 catalysts with varying amounts of MoO3 has been synthesized and the catalytic activities of these were compared with the known solid acid catalysts in the synthesis of 1,3-dioxolane. MoO3/SiO2 catalyst showed a better activity and selectivity in 1,3-dioxolane synthesis compared to the other catalysts. MoO3/SiO2 catalyst system was further successfully applied for the synthesis of 1,3-dioxanes in the Prins cyclization of olefins and formaldehyde. The proposed catalyst was thermally stable and could be recovered and reused at least in four consecutive cycles with no significant loss in the substrates conversions and products selectivities. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {1, 3-Dioxolanes, Cycloaddition, MoO3/SiO2, Prins cyclization, Sol-gel method, solid acid catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.03.007}, author = {Amrute, Amol P. and Sahoo, Suman and Bordoloi, Ankur and Hwang, Young Kyu and Hwang, Jin-Soo and Halligudi, Shiva B.} } @article { ISI:000266208900051, title = {Nanoparticle-mediated targeting of MAPK signaling predisposes tumor to chemotherapy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {106}, number = {19}, year = {2009}, month = {MAY}, pages = {7957-7961}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

The MAPK signal transduction cascade is dysregulated in a majority of human tumors. Here we report that a nanoparticle-mediated targeting of this pathway can optimize cancer chemotherapy. We engineered nanoparticles from a unique hexadentate-polyD, L-lactic acid-co-glycolic acid polymer chemically conjugated to PD98059, a selective MAPK inhibitor. The nanoparticles are taken up by cancer cells through endocytosis and demonstrate sustained release of the active agent, resulting in the inhibition of phosphorylation of downstream extracellular signal regulated kinase. We demonstrate that nanoparticle-mediated targeting of MAPK inhibits the proliferation of melanoma and lung carcinoma cells and induces apoptosis in vitro. Administration of the PD98059-nanoparticles in melanoma-bearing mice inhibits tumor growth and enhances the antitumor efficacy of cisplatin chemotherapy. Our study shows the nanoparticle-mediated delivery of signal transduction inhibitors can emerge as a unique paradigm in cancer chemotherapy.

}, keywords = {cancer, Signal transduction}, issn = {0027-8424}, doi = {10.1073/pnas.0902857106}, author = {Basu, Sudipta and Harfouche, Rania and Soni, Shivani and Chimote, Geetanjali and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000263365600013, title = {NC palladacycles in the Heck arylation of ethylene: synthesis, structure and their reactivity}, journal = {Journal of Organometallic Chemistry}, volume = {694}, number = {5}, year = {2009}, month = {MAR}, pages = {683-690}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

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

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

}, issn = {1932-7447}, doi = {10.1021/jp902017c}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S. and Counsell, Jonathan and Gilbert, Lee and Bowker, Michael} } @article { ISI:000269310700020, title = {Non-templated hydrothermal growth of anisotropic magnetite nanostructures using hexamine as the directing agent}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {10}, year = {2009}, month = {OCT}, pages = {5823-5828}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Anisotropic growth of magnetite (Fe(3)O(4)) nanoparticles is achieved in a hydrothermal growth process using hexamine to play a dual role of oxide forming and directing agent. The samples are characterized by X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscopy, squid magnetometry, ferromagnetic resonance technique, diffuse reflectance spectroscopy and Mossbauer spectroscopy, which collectively establish the formation of Fe(3)O(4) phase. Anisotropic structures such as nanorods and nanotubules are revealed and these are shown to exhibit good humidity sensing properties.

}, keywords = {Anisotropic Nanostructures, Hexamine, hydrothermal, magnetite, Mossbauer}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1244}, author = {Bhagwat, S. V. and Jouen, Samuel and Kundaliya, D. C. and Singh, H. and Jagadale, Tushar C. and Athawale, A. A. and Lofland, S. E. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000264925400047, title = {Novel electroless process for copper coating of flyash using titania/ultraviolet-radiation/metal catalyst-system}, journal = {Applied Surface Science}, volume = {255}, number = {13-14}, year = {2009}, month = {APR}, pages = {6696-6704}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel electroless process has been demonstrated in this investigation to coat the surface of flyash particles with a conducting metal such as copper. The conventional electroless process has been modified for this purpose by replacing the tin-palladium catalyst-system with the titania/ultraviolet-radiation/metal catalyst-system, where the metal is either copper or silver as demonstrated here. The mechanism of copper coating of flyash particles in an electroless bath, using the novel methods of surface-sensitization and surface-activation, has been systematically studied by monitoring changes in the surface-morphology, surface-chemistry, and surface-structure of flyash particles using the scanning electron microscope, energy dispersive analysis of X-rays, X-ray photoelectron spectroscope, and X-ray diffraction. It has been revealed that the novel electroless method involves coating the flyash particles with titania photocatalyst via sol-gel, which acts as a surface-sensitizer under the ultraviolet-radiation exposure for the subsequent surface-activation with the copper- or silver-clusters. The latter in turn acts as surface-catalyst for the subsequent Cu-coating in an electroless bath. The proposed mechanism of surface-sensitization and surface-activation of flyash particles using the novel catalyst-system has been compared with that using the conventional catalyst-system. (C) 2009 Elsevier B. V. All rights reserved.

}, keywords = {Copper, Electroless, Flyash, Photocatalysis, sol-gel, titania}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2009.02.066}, author = {Shijitha, T. and Baiju, K. V. and Shukla, S. and Patil, K. and Warrier, K. G. K.} } @article { ISI:000273174300036, title = {Novel/conceptual floating pulsatile system using high internal phase emulsion based porous material intended for chronotherapy}, journal = {AAPS Pharmscitech}, volume = {10}, number = {4}, year = {2009}, month = {DEC}, pages = {1368-1380}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The aim of the present study was to design a novel/conceptual delivery system using ibuprofen, anticipated for chronotherapy in arthritis with porous material to overcome the formulation limits (multiple steps, polymers, excipients) and to optimize drug loading for a desired release profile suitable for in vitro investigations. The objective of this delivery system lies in the availability of maximum drug amount for absorption in the wee hours as recommended. Drug loading using 3(2) factorial design on porous carrier, synthesized by high internal phase emulsion technique using styrene and divinylbenzene, was done via solvent evaporation using methanol and dichloromethane. The system was evaluated in vitro for drug loading, encapsulation efficiency, and surface characterization by scanning electron, atomic force microscopy, and customized drug release study. This study examined critical parameters such as solvent volume, drug amount, and solvent polarity on investigations related to drug adsorption and release mostly favoring low-polarity solvent dichloromethane. Overall release in all batches ranged 0.98-52\% in acidic medium and 71-94\% in basic medium. These results exhibit uniqueness in achieving the least drug release of 0.98\%, an ideal one, without using any release modifiers, making it distinct from other approaches/technologies for time and controlled release and for chronotherapy.

}, keywords = {chronotherapy, floating pulsatile drug delivery system, high internal phase emulsion, ibuprofen, multiparticulate porous carriers}, issn = {1530-9932}, doi = {10.1208/s12249-009-9331-1}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Benson, James R. and Li, Nai-Hong and Pawar, Atmaram P.} } @article { ISI:000271103500016, title = {Oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over nanogold supported on TiO2 and other transition and rare-earth metal oxides}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9471-9478}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Liquid-phase oxidation of benzyl alcohol to benzaldehyde by tertiary butyl hydroperoxide (at 95 degrees C) over nanogold supported oil TiO2 and other transition-metal oxides (viz, MnO2, Fe2O3, CoOx, NiO, CuO, ZnO, and ZrO2) or rare-earth oxides (viz, La2O3, Sm2O3, Eu2O3, and Yb2O3) by the homogeneous deposition-precipitation (HDP) method has been investigated. The Au/TiO2 catalyst, prepared using the HDP method, showed high activity and selectivity in the reaction. The ZrO2-Supported nanogold catalyst (HDP) also showed very good performance. The Au/TiO2 catalyst that was prepared using the deposition-precipitation (DP) method, however, showed poor catalytic activity, mostly because of its much-lower gold loading and/or lower Au3+/Au-0 ratio. Irrespective of the catalyst preparation method, the catalytic activity increased as the gold loading increased. The gold deposition method strongly influenced the amount of gold that was deposited on TiO2, the gold particle size distribution, and also the surface Au3+/Au-0 ratio; using the HDP method, the gold deposition was much larger, the gold particle size was smaller, the gold particle size distribution was much narrower, and the Au3+/Au-0 ratio was higher. Both the metallic and ionic gold species (Au-0 and Au3+) are present in the Au/TiO2 catalyst. However, the Au3+ species are mostly responsible for the high catalytic activity in the oxidation process.

}, issn = {0888-5885}, doi = {10.1021/ie801883d}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Bhargava, Suresh Kumar} } @article { ISI:000266088200028, title = {Pilot plant study of recovery of lactic acid from ethyl lactate}, journal = {Organic Process Research \& Development}, volume = {13}, number = {3}, year = {2009}, month = {MAY}, pages = {573-575}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Purified lactic acid is used for production of biodegradable polymer. Esterification with ethanol and subsequent hydrolysis in distillation columns to produce purified lactic acid without catalyst has obvious advantages. In this paper, we present a pilot-plant study of ethyl lactate hydrolysis to produce 3.86 kg/h lactic acid (99.85\% purity) using three distillation columns. Simulation of distillation columns at steady state has been carried out, and the results obtained tally with the experimental results of the pilot plant.

}, issn = {1083-6160}, doi = {10.1021/op800312k}, author = {Barve, Prashant P. and Rahman, Imran and Kulkarni, Bhaskar D.} } @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:000263733200011, title = {Preparation of nearly monodisperse nickel nanoparticles by a facile solution based methodology and their ordered assemblies}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {3426-3429}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nickel nanoparticles have been synthesized by a simple wet chemical reduction technique in the presence of a surfactant sodium dodecyl sulfate (SDS) and a capping agent oleic acid. Varying the concentration of the surfactant and the capping agent has been found to critically govern the nature of the nanoparticles prepared. It is observed that at an optimum concentration of SDS and oleic acid, nearly monodisperse Ni nanoparticles are obtained that form highly ordered hexagonally close-packed structures on electron microscopy grids by a simple drop coating procedure. It is also shown that the presence of oleic acid is necessary for the stability of the Ni nanoparticles synthesized. Structural and magnetic characterizations of the nanoparticles are also presented.

}, issn = {1932-7447}, doi = {10.1021/jp807542w}, author = {Sidhaye, Deepti S. and Bala, Tanushree and Srinath, S. and Srikanth, H. and Poddar, Pankaj and Sastry, Murali and Bhagavatula L. V. Prasad} } @article {43344, title = {Process for the preparation of polymeric absorbents }, number = {US 09/537,450}, year = {2009}, month = {JAN}, chapter = {US6794467 B2}, abstract = {The invention discloses a process for the preparation of polymeric absorbents useful for gelling organic liquids. The process comprises mixing one or more monomers with a cross-linking agent, a free radical initiator, an optional solvent, optionally in the presence of a transition metal source and subjecting the mixture so obtained to a conventional polymerisation method. The polymer is removed, crushed to obtain polymer powder, washed with solvent and dried by conventional methods to remove unreacted monomers, followed by swelling in alcohols to obtain the desired product.}, author = {Lele, Ashish Kishor and Varghese, Shyni and Badiger, Manohar V. and Mashelkar, Raghunath Anant} } @article { ISI:000261569100072, title = {Purification and characterization of acidic lipase from aspergillus niger NCIM 1207}, journal = {Bioresource Technology}, volume = {100}, number = {3}, year = {2009}, month = {FEB}, pages = {1486-1490}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Acidic lipase, Aspergillus niger, Positional specificity}, issn = {0960-8524}, doi = {10.1016/j.biortech.2008.08.016}, author = {Mhetras, Nutan and Bastawade, Kulbhushan B. and Gokhale, D. V.} } @article { ISI:000265921000002, title = {Purification and characterization of putative alkaline [Ni-Fe] hydrogenase from unicellular marine green alga, tetraselmis kochinensis NCIM 1605}, journal = {Microbiological Research}, volume = {164}, number = {2}, year = {2009}, month = {FEB}, pages = {131-137}, publisher = {ELSEVIER GMBH, URBAN \& FISCHER VERLAG}, address = {OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY}, abstract = {

Hydrogenase enzyme from the unicellular marine green alga Tetraselmis kochinensis NCIM 1605 was purified 467 fold to homogeneity. The molecular weight was estimated to be similar to 89kDa by SDS-PAGE. This enzyme consists of two subunits with molecular masses of similar to 70 and similar to 19 kDa. The hydrogenase was found to contain 10 g atoms of Fe and 1 g of atom of Ni per mote of protein. The specific activity of hydrogen evolution was 50 mu mol H-2/mg/h of enzyme using reduced methyl viologen as an electron donor. This hydrogenase enzyme has pl value similar to 9.6 representing its alkaline nature. The absorption spectrum of the hydrogenase enzyme showed an absorption peak at 425 nm indicating that the enzyme had iron-sulfur clusters. The total of 16 cysteine residues were found per mote of enzyme under the denaturing condition and 20 cysteine residues in reduced denatured enzyme indicating that it has two disulfide bridges. (C) 2007 Published by Elsevier GmbH.

}, keywords = {Characterization, Chemical modification, Ni-Fe hydrogenase, Tetraselmis kochinensis, Unicellular green algae}, issn = {0944-5013}, doi = {10.1016/j.micres.2006.11.006}, author = {Bhosale, Siddharth H. and Pant, A. and Khan, Mohammad Islam} } @article {42455, title = {Reactions of morita-baylis-hillman acetates with huisgen zwitterions: a novel strategy for the synthesis of ?-amino acid derivatives}, journal = {Synthesis}, year = {2009}, month = {APR}, pages = {1829{\textendash}1833}, abstract = {

The reaction of Huisgen Zwitterion with Morita{\textendash}Baylis{\textendash} Hillman acetates afforded b-amino acid derivatives.

}, keywords = {b-amino acid, Huisgen zwitterion, Morita{\textendash}Baylis{\textendash}Hillman acetate}, doi = {10.1055/s-0028-1088063}, author = {Jose, Anu and Paul, Rony Rajan and Mohan, Resmi and Mathew, Smitha C. and Biju, Akkattu T. and Eringathodi, Suresh and Nair, Vijay} } @article { ISI:000264247300034, title = {Reactive extrusion of poly(L-Lactic Acid) with glycidol}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {3}, year = {2009}, month = {MAY}, pages = {1391-1398}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Glycidol modified polylactic acid (PLLA) polymers have been prepared by reactive extrusion. Influences of residence time and the concentration of glycidol on the extent of reaction with different weight average molecular weight (45,000, 65,000, and 100,000) PLLA{\textquoteright}s were studied. Structure-property relationship has been established by measuring molecular, mesoscopic, and macroscopic properties. Under reactive extrusion conditions glycidol reacted with the end groups of PLLA to initiate chain extension. Low-molecular weight PLLA reacted with glycidol faster than the medium molecular weight PLLA, whereas high-molecular weight PLLA did not show significant reactions. The glass transition temperature, melting temperature, crystallization temperature, and heat of fusion were measured for unmodified and modified PLLA{\textquoteright}s. Chain extended PLLA had higher T(g) and T(m) than the unmodified samples. Time sweep rheological experiments were performed to test the melt stability of PLLA. Chain extended PLLA{\textquoteright}s were found to retain viscoelastic properties for much longer time than the unreacted samples. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 1391-1398, 2009

}, keywords = {biodegradable, reactive extrusion, Rheology, structure-property relations, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.29581}, author = {Deenadayalan, E. and Lele, Ashish K. and Balasubramanian, M.} } @article { ISI:000266185600012, title = {Selective N-alkylation of aniline with methanol over a heteropolyacid on montmorillonite K10}, journal = {Applied Clay Science}, volume = {44}, number = {3-4}, year = {2009}, month = {MAY}, pages = {255-258}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, Oxidation, Oxo-peroxo, Primary aromatic alcohol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.178}, author = {Biradar, Ankush V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000264521700002, title = {Selective synthesis of cumene by isopropylation of benzene using catalytic membrane reactor}, journal = {Chemical Engineering Journal}, volume = {147}, number = {2-3}, year = {2009}, month = {APR}, pages = {97-101}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

}, keywords = {graft copolymers, hydrophilic polymers, Nanocomposites, swelling}, issn = {0021-8995}, doi = {10.1002/app.29155}, author = {Shukla, Sandeep Kumar and Shaikh, A. Wasif and Gunari, Nikhil and Bajpai, A. K. and Kulkarni, R. A.} } @article { ISI:000271280200036, title = {Short synthesis of 3,6-disubstituted N-2-thienyl/aryl-indoles}, journal = {Tetrahedron Letters}, volume = {50}, number = {47}, year = {2009}, month = {NOV}, pages = {6562-6566}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Formylaminothiophene, Gewald synthesis, Indole, Styrene epoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.049}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Maujan, Suleman R.} } @article { ISI:000268726500015, title = {Simple and efficient enzymatic transglycosylation of stevioside by beta-cyclodextrin glucanotransferase from Bacillus firmus}, journal = {Biotechnology Letters}, volume = {31}, number = {9}, year = {2009}, note = {13th International Biotechnology Symposium and Exhibition (IBS-2008), Dalian, PEOPLES R CHINA, OCT 12-17, 2008}, month = {SEP}, pages = {1415-1420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {beta-cyclodextrin, beta-Cyclodextrin glucanotransferase, Microwave-assisted reaction, Stevia rebaudiana, Stevioside, Transglycosylation}, issn = {0141-5492}, doi = {10.1007/s10529-009-0020-7}, author = {Jaitak, V. and Kaul, V. Kumar and Bandna and Kumar, N. and Singh, B. and Savergave, L. S. and Jogdand, Vitthal V. and Nene, S.} } @article { ISI:000268923200029, title = {Solubilization and conformational behavior of zein in aqueous solution of dodecyldimethylethylammonium bromide (DDAB)}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {346}, number = {1-3}, year = {2009}, month = {AUG}, pages = {195-201}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Absorbance spectroscopy, Aggregation number, conductivity, DDAB, FT-IR, Surface tension, viscosity, Zein}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2009.06.016}, author = {Mehta, S. K. and Bhawna and Bhasin, K. K. and Kumar, Anil} } @article { ISI:000269197400020, title = {Some mechanistic insights into the gelation of regenerated silk fibroin sol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {8014-8023}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie801723f}, author = {Nagarkar, Shailesh and Patil, Avinash and Lele, Ashish K. and Bhat, Suresh K. and Bellare, Jayesh R. and Mashelkar, Raghunath Anant} } @article { ISI:000271603000046, title = {Stereo-controlled approach to pyrrolidine iminosugar C-glycosides and 1,4-dideoxy-1,4-imino-L-allitol using a D-mannose-derived cyclic nitrone}, journal = {Tetrahedron Letters}, volume = {50}, number = {49}, year = {2009}, month = {DEC}, pages = {6906-6908}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Cyclic nitrone, Enzyme inhibitors, Iminosugars, pyrrolidine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.139}, author = {Bande, Omprakash P. and Jadhav, Vrushali H. and Puranik, Vedavati G. and Dhavale, Dilip D. and Lombardo, Marco} } @article { ISI:000263683800007, title = {Strain improvement and up scaling of phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {3}, year = {2009}, month = {MAR}, pages = {373-380}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

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

}, keywords = {Agriculture residue, Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {1367-5435}, doi = {10.1007/s10295-008-0506-7}, author = {Shah, P. and Bhavsar, Kavita P. and Soni, S. K. and Khire, Jayant Malhar} } @article { ISI:000267784200012, title = {Susceptibility of aedes aegypti and culex quinquefasciatus larvae to gedunin-related limonoids}, journal = {Chemistry \& Biodiversity}, volume = {6}, number = {6}, year = {2009}, month = {JUN}, pages = {897-902}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, issn = {1612-1872}, author = {Gurulingappa, Hallur and Tare, Vrushali and Pawar, Pushpa and Tungikar, Vijay and Jorapur, Yogesh R. and Madhavi, Sriram and Bhat, Sujata V.} } @article {42459, title = {Switching the electron-donor properties of n-heterocyclic carbenes by a facile deprotonation strategy}, journal = {Chemistry an Asian Journal}, volume = {9}, year = {2009}, month = {DEC}, pages = {1786{\textendash}1789}, abstract = {

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

}, keywords = {carbenes; electronic properties; enolates; heterocycles; ligand design}, doi = {10.1002/asia.200900410}, author = {Biju, Akkattu T. and Hirano, Keiichi and Frohlich, Roland and Glorius, Frank} } @article { ISI:000262707000040, title = {Synthesis and antifungal activity of 1,2,3-triazole containing fluconazole analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {3}, year = {2009}, month = {FEB}, pages = {759-763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {1, 2, 3-Triazole, Antifungal agent, bile acid, Conjugates, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.12.026}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Mishra, Nripendra N. and Kumar, Awanit and Shukla, Praveen K. and Sharma, Aanchal and Bhat, Manoj K.} } @article { ISI:000269257800009, title = {Synthesis and conformational study of chiral oxepines: the baylis-hillman reaction and RCM approach with sugar aldehyde}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {17}, year = {2009}, month = {SEP}, pages = {6486-6494}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {Aldehyde, beta-Naphthol, condensation, Cytotoxicity, One-pot reaction, Solvent-free, Tantalum(V) chloride, Xanthenes}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.08.033}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Mujahid, Mohammad and Sehar, Irum and Saxena, Ajit K.} } @article { ISI:000267381100014, title = {Synthesis of catalytically active porous platinum nanoparticles by transmetallation reaction and proposition of the mechanism}, journal = {Small}, volume = {5}, number = {12}, year = {2009}, month = {JUN}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Catalysts, Interfaces, Nickel nanoparticles, porous platinum, Transmetallation}, issn = {1613-6810}, doi = {10.1002/smll.200801863}, author = {Pasricha, Renu and Bala, Tanushree and Biradar, Ankush V. and Shubhangi B. Umbarkar and Sastry, Murali} } @article {39}, title = {Synthesis of hydroxy-functional PMMA macromonomers by anionic polymerization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {46}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914494634}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

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

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

}, keywords = {Anionic polymerization, Star polymers, Star-branched PMMA}, issn = {0170-0839}, doi = {10.1007/s00289-009-0082-7}, author = {Dhara, Mahua Ganguly and Sivaram, Swaminathan and Baskaran, Durairaj} } @article { ISI:000271443200024, title = {Synthesis of N-methylaniline by aniline alkylation with methanol over Sn-MFI molecular sieve}, journal = {Catalysis Letters}, volume = {133}, number = {1-2}, year = {2009}, month = {NOV}, pages = {175-184}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Aniline, Lewis acid, Methanol, N-methylaniline, Sn-MFI}, issn = {1011-372X}, doi = {10.1007/s10562-009-0143-4}, author = {Niphadkar, P. S. and Joshi, P. N. and Gurav, H. R. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article { ISI:000263249600064, title = {Tin-silicalite-1: synthesis by dry gel conversion, characterization and catalytic performance in phenol hydroxylation reaction}, journal = {Materials Chemistry and Physics}, volume = {114}, number = {1}, year = {2009}, month = {MAR}, pages = {344-349}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Tin-silicalite-1 (Sn-MFI) has been successfully synthesized by dry gel conversion (DGC) method. The influence of various synthesis parameters such as crystallization time, temperature, water content at the bottom of autoclave, molar ratios of (TPA)(2)O/SiO(2) and SiO(2)/SnO(2) in dry gel on the crystallization kinetics and physico-chemical properties of Sn-MFI materials has been investigated. Powder-X-ray diffraction (XRD),XPS,AAS, DRUV-vis and SEM techniques were employed as characterization tools. Time-dependent studies revealed that, the progressive crystallization of Sn-MFI depend not only on the synthesis time but also on the other various synthesis parameters. Increase in the crystallization temperature, water content at bottom of autoclave (TPA)(2)O/SiO(2) and SiO(2)/SnO(2) molar ratios in dry gel resulted in the lowering of overall crystallization period. A good correspondence between the chemical composition of the surface and the bulk indicated the uniform distribution of Sn(4+) ions. The presence of these ions in tetrahedral coordination has been indicated by DRUV-vis spectral studies. Although, not better but comparable activity has been shown by Sn-MFI prepared by dry gel conversion method with Sn-MFI prepared by conventional hydrothermal crystallization method in the hydroxylation of phenol reaction. Increase in concentration of isolated Sn(4+) ions led to increase in phenol conversion and H(2)O(2) efficiency. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {crystallisation, Dry gel conversion, microporous materials, Sn-MFI}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.09.026}, author = {Niphadkar, Prashant S. and Kotwal, Mehejabeen S. and Deshpande, Shilpa S. and Bokade, Vijay V. and Joshi, Praphulla N.} } @article { ISI:000271103500009, title = {Transesterification of edible and nonedible vegetable oils with alcohols over heteropolyacids supported on acid-treated clay}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9408-9415}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the current work, the novelty of heteropolyacid on clay (K-10) for the transesterification of vegetable oil with lower and higher alcohols is presented. Methyl esters (biodiesel) and glycerol were produced by the transesterification of vegetable oil with methanol in the presence of dodecatungestophosphoric acid (DTPA) supported on K-10 clay. The transesterification consists of three consecutive reversible reactions Diglycerides (DG) and monoglycerides (MG) are intermediate products. The optimal catalyst concentration was 5\% w/w of oil. Detailed studies were done for optimization of the process parameters. The rate of transesterification in a batch reactor increased with temperature up to 170 degrees C. Higher temperatures did not reduce the time to reach maximum conversion. The study was also extended to reactions of different edible and nonedible oils with lower and higher alcohols. The conversion of TG, DG, and MG seemed to be a second-order mechanism for the forward and reverse reactions, where the reaction system could be described as a pseudo-heterogeneous catalyzed reaction. The reaction rate constants for the TG. DG, and MG transesterification reactions were 0.12-0.84 h(-1) and were higher for the MG reaction than for the TG transesterification. The activation energies were 4.2, 26, and 7.4 kcal/mol for the TG, DG, and MG transesterification reactions, respectively. The proposed kinetic model fits the experimental results well.

}, issn = {0888-5885}, doi = {10.1021/ie801543k}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000267531100032, title = {Transesterification of sunflower oil catalyzed by flyash-based solid catalysts}, journal = {Fuel}, volume = {88}, number = {9}, year = {2009}, month = {SEP}, pages = {1773-1778}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Flyash-based base catalyst was used in the transesterification of sunflower oil with methanol to methyl esters in a heterogeneous manner. Catalyst preparation variables such as, the KNO(3) loading amount and calcination temperature were optimized. The catalysts were characterized by powder XRD. The catalyst prepared by loading of 5 wt.\% KNO(3) on flyash followed by its calcination at 773 K has exhibited maximum oil conversion (87.5 wt.\%). The influence of various reaction parameters such as \% catalyst loading, methanol to oil molar ratio, reaction time, temperature, reusability of the catalyst on the catalytic activity was investigated. K(2)O derived from KNO(3) might be an essential component in the catalyst for its efficiency. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Flyash, heterogeneous catalyst, Methyl ester, Sunflower oil, transesterification}, issn = {0016-2361}, doi = {10.1016/j.fuel.2009.04.004}, author = {Kotwal, M. S. and Niphadkar, P. S. and Deshpande, Suvarna S. and Bokade, Vijay V. and Joshi, P. N.} } @article {42800, title = {Transfer of technology (ToT) document of polyimide binder resins}, year = {2009}, month = {JAN}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan. N. N. and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhansekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @article { ISI:000263071500026, title = {Two modes of O-H center dot center dot center dot O hydrogen bonding utilized in dimorphs of racemic 6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, year = {2009}, month = {FEB}, pages = {O54-O57}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

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

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

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

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

}, keywords = {Aqueous two phase, graft copolymers, Guar gum, Partition coefficient (K), Phase diagram, Vinyl pyrrolidone, viscosity}, issn = {1383-5866}, doi = {10.1016/j.seppur.2008.03.020}, author = {Kautharapu, Kumar and Pujari, Narahari S. and Golegaonkar, Sandeep B. and Ponrathnam, Surendra and Nene, Sanjay N. and Bhatnagar, D.} } @article { ISI:000266364000003, title = {Wind tunnel investigation of the distortion of polluted water drops in the horizontal electric fields}, journal = {Journal of Geophysical Research-Atmospheres}, volume = {114}, year = {2009}, month = {MAY}, pages = {D10205}, publisher = {AMER GEOPHYSICAL UNION}, address = {2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA}, abstract = {

Distortion of the water drops freely suspended in a vertical wind tunnel is investigated when these drops are polluted with sulphate/nitrate salt and are also subjected to the horizontal electric fields. Results show that although the drops{\textquoteright} average shape is not significantly affected, the magnitudes of drop oscillations decrease when these are formed from the water polluted with sulphate/nitrate salt. However, when these polluted drops are placed in a horizontal electric field, their oblateness increases with respect to that of the distilled water drops, and this increase in oblateness is more in higher electric fields. Results can possibly be explained because of the increase in surface tension, viscosity and density, and a more dominant effect due to the increase in electrical conductivity of the polluted water. Significance of the results is discussed in view of the possible modification of lightning activity in clouds formed over big cities.

}, issn = {2169-897X}, doi = {10.1029/2008JD011102}, author = {Bhalwankar, Rohini V. and Kamra, A. K.} } @article { ISI:000284967000058, title = {Abrupt shear thickening of aqueous solutions of hydrophobically modified poly(N,N {\textquoteleft}-dimethylacrylamide-co-acrylic acid)}, journal = {Macromolecules}, volume = {43}, number = {23}, year = {2010}, month = {DEC}, pages = {10055-10063}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report some new and interesting observations on the abrupt and large shear-induced thickening of aqueous solutions of hydrophobically modified poly(N,N{\textquoteright}-dimethylacrylamide-co-acrylic acid). High molecular weight copolymer was prepared by free radical copolymerization of N,N{\textquoteright}-dimethylacrylamide [DMA] and acrylic acid [AA] and was subsequently modified to different extents using a hydrophobic compound, namely, 3-pentadecylcyclohexylamine [3-PDCA], which is derived from a renewable resource material, cashew nutshell liquid [CNSL]. The structural elucidation of the base copolymer and the hydrophobically modified copolymers was performed by (1)H and (13)C NMR spectroscopy. The zero shear viscosities [eta(0)] of the hydrophobically modified polymers were lower than that of the precursor poly(N,N{\textquoteright}-dimethylacrylamide-co-acrylic acid) until some critical polymer concentration, which increased with increase in hydrophobic modification. Above the critical concentrations, the eta(0) of the hydrophobically modified copolymers surpassed that of the precursor at the same concentration. At moderate shear rates some of these hydrophobically modified copolymers exhibited an abrupt shear-induced thickening in which the viscosity of the samples increased severalfold. We show here from creep experiments that thickening occurs only when the shear rate reaches a critical value, (gamma) over dot(crit), and that the thickened samples can be trapped in different metastable states by controlling the applied stress. Interestingly, the shear thickened samples showed further thickening upon decreasing the applied stress. Eventually, the metastable samples revert to their equilibrium states at characteristic time that depends on (small) probe stress.

}, issn = {0024-9297}, doi = {10.1021/ma1017378}, author = {Lele, Ashish K. and Shedge, Aarti and Badiger, Manohar V. and Wadgaonkar, Prakash and Chassenieux, Christophe} } @article { ISI:000284342100003, title = {Adsorption of fluoride from aqueous solution by alumina of alkoxide nature: batch and continuous operation}, journal = {Desalination}, volume = {264}, number = {1-2}, year = {2010}, month = {DEC}, pages = {15-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this investigation, we report the adsorption potential of alkoxide origin alumina for defluoridation of drinking water using batch and continuous mode of operations. The effects of different operating parameters such as adsorbent dose, initial fluoride concentration, pH of the solution and interfering ions (usually present in groundwater) were studied with a view to understand the adsorption behavior of the material under various conditions. A thermodynamic study shows that the adsorption of fluoride by alkoxide origin alumina is an exothermic and spontaneous process. The kinetic results showed that the fluoride sorption follows pseudo-second-order kinetics. The applicability of adsorbent in the field is also tested through column breakthrough studies. It has been observed that with an increase in the flow rate and initial fluoride concentration, the breakthrough curve becomes sharper and the breakthrough time and adsorbed fluoride ion concentration decrease. The breakthrough curve also becomes steeper as the bed height increases. The alkoxide origin alumina based adsorbent media can be used directly for field applications since it is also commercially available in granular form. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Alkoxide alumina, Breakthrough studies, Fluoride, Kinetic modeling}, issn = {0011-9164}, doi = {10.1016/j.desal.2010.07.001}, author = {Kamble, Sanjay P. and Deshpande, Gunavant and Barve, Prashant P. and Rayalu, Sadhana and Labhsetwar, Nitin K. and Malyshew, Alexander and Kulkarni, Bhaskar D.} } @article {42793, title = {Amino functionalized oligoimides telechelics}, number = {2922/DEL/2010 A}, year = {2010}, month = {AUG}, type = {India Patents}, abstract = {

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

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Shaikh, Wasif Abdul Lateef and Chavan, Nayaku and Qureshi, Mohammed Shadbar and Dhoble, Deepa Arun and Mule, Smita Atmaram and Bhosle, Sonali Madhavrao and Momin, Mohasin Shamshuddin} } @article {42680, title = {Bacterial synthesis of phtocatalytically active and biocompatible TiO2 and ZnO nanoparticles}, journal = {International Journal of Green Nanotechnology: Physics and Chemistry}, volume = {2}, year = {2010}, month = {DEC}, pages = {80-99}, abstract = {

TiO2 and ZnO nanoparticles are well known for their photocatalytic and ultraviolet (UV)-absorbent properties and have successfully entered into the market as consumer products. Large volume production of these nanoparticles by industries require environmentally friendly processes of synthesis. In this article, we show that when challenged with an appropriate precursor, the bacterium Actinobacter spp. can lead to the extracellular synthesis of ZnO and TiO2 nanoparticles. The biological way of synthesizing these materials probably leads to the in situ doping of elements like C, F, and N into their crystal lattices, which is evidenced by a red shift in the absorption edge. Because the doping is expected to affect the photocatalytic activity of these materials under different light conditions, such investigations have also been undertaken here. Further, the biocompatibility of these nanomaterials (cytotoxicity and genotoxicity) has also been investigated in detail.

}, keywords = {Biosynthesis, genotoxicity, Nanoparticles, Nanotoxicity, Photocatalysis}, doi = {10.1080/19430876.2010.532459}, author = {Singh, Sanjay and Britto, Virginia D. and Bharde, Atul A. and Sastry, Murali and Dhawan, Alok and Bhagavatula L. V. Prasad} } @article { ISI:000282840600020, title = {Calculation of dipole transition matrix elements and expectation values by vibrational coupled cluster method}, journal = {Journal of Chemical Theory and Computation}, volume = {6}, number = {10}, year = {2010}, month = {OCT}, pages = {3198-3204}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An effective operator approach based on the coupled cluster method is described and applied to calculate vibrational expectation values and absolute transition matrix elements. Coupled cluster linear response theory (CCLRT) is used to calculate excited states. The convergence pattern of these properties with the rank of the excitation operator is studied. The method is applied to a water molecule. Arponen-type double similarity transformation in extended coupled cluster (ECCM) framework is also used to generate an effective operator, and the convergence pattern of these properties is compared to the normal coupled cluster (NCCM) approach. It is found that the coupled cluster method provides an accurate description of these quantities for low lying vibrational excited states. The ECCM provides a significant improvement for the calculation of the transition matrix elements.

}, issn = {1549-9618}, doi = {10.1021/ct1003669}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga} } @article { ISI:000275708600041, title = {Carbon dissolution and segregation in Pd(110)}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {11}, year = {2010}, month = {MAR}, pages = {5060-5067}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp9108046}, author = {Bowker, Michael and Counsell, Jonathan and El-Abiary, Kareem and Gilbert, Lee and Morgan, Chris and Nagarajan, Sankaranarayanan and Gopinath, Chinnakonda S.} } @article { ISI:000283589900009, title = {Chemoselective hydrogenation of cinnamaldehyde over Pd/CeO2-ZrO2 catalysts}, journal = {Catalysis Letters}, volume = {140}, number = {1-2}, year = {2010}, month = {NOV}, pages = {55-64}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Selective hydrogenation of cinnamaldehyde over Pd (2 wt\%) supported on CeO2, ZrO2 and CeO2-ZrO2 catalysts is reported for the first time. In general, the olefinic (C=C) group of cinnamaldehyde is preferentially hydrogenated compared to the carbonyl (C=O) group. This selectivity preference could, however, be altered or reversed by adding alkali additives to the catalyst. The influence of additive on the structure and redox properties of the active sites and correlation of that with selective hydrogenation activity is investigated.

}, keywords = {alpha, beta-Unsaturated aldehyde, Ceria-zirconia, Cinnamaldehyde, Hydrogenation, palladium catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-010-0423-z}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article {42742, title = {Chronic inflammatory responses to microgel-based implant coatings}, journal = {Journal of Biomedical Materials Research}, volume = {94A}, year = {2010}, month = {JUL}, pages = {252-258}, doi = {10.1002/jbm.a.32669}, author = {Bridges, Amanda W. and Whitmire, Rachel E. and Singh, Neetu and Templeman, Kellie L. and Babensee, Julia E. and Lyon, L. Andrew and Garcia, Andres J.} } @article { ISI:000283495200040, title = {Clicking molecular hooks on silica nanoparticles to immobilize catalytically important metal complexes: the case of gold catalyst immobilization}, journal = {New Journal of Chemistry}, volume = {34}, number = {11}, year = {2010}, month = {AUG}, pages = {2662-2670}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1144-0546}, doi = {10.1039/c0nj00292e}, author = {Ganai, Anal Kumar and Bhardwaj, Rima and Hotha, Srinivas and Sen Gupta, Sayam and Bhagavatula L. V. Prasad} } @article { ISI:000281980600018, title = {Conformational polymorphism in racemic 2,4-Di-o-Benzoyl-6-o-Tosyl myo-Inositol 1,3,5-Orthoacetate}, journal = {Journal of Structural Chemistry}, volume = {51}, number = {4}, year = {2010}, month = {AUG}, pages = {725-730}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Conformation, crystal structure, dipolar interactions, Inositol, non-covalent interactions, polymorphism, sulfonyl-carbonyl contact}, issn = {0022-4766}, doi = {10.1007/s10947-010-0107-y}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000280605900013, title = {Coupling growth-factor engineering with nanotechnology for therapeutic angiogenesis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {31}, year = {2010}, month = {AUG}, pages = {13608-13613}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

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

}, keywords = {cardiovascular disease, HGF/SF, ischemic disease, nanoparticle, protein engineering}, issn = {0027-8424}, doi = {10.1073/pnas.1006007107}, author = {Roy, Rituparna Sinha and Soni, Shivani and Harfouche, Rania and Vasudevan, Pooja R. and Holmes, Oliver and de Jonge, Hugo and Rowe, Arthur and Paraskar, Abhimanyu and Hentschel, Dirk M. and Chirgadze, Dimitri and Blundell, Tom L. and Gherardi, Ermanno and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000273922200025, title = {Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality}, journal = {Crystengcomm}, volume = {12}, number = {2}, year = {2010}, month = {SEP}, pages = {478-484}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1466-8033}, doi = {10.1039/b910546h}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000276010000034, title = {Cytotoxic activity of 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol from Eulophia nuda against human cancer cells}, journal = {Journal of Ethnopharmacology}, volume = {128}, number = {1}, year = {2010}, month = {MAR}, pages = {251-253}, publisher = {ELSEVIER IRELAND LTD}, address = {ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND}, abstract = {

Ethnopharmacological relevance: Eulophia nuda L. (Orchidaceae) is a medicinally important terrestrial orchid used for the treatment of tumours and various health problems by the local healers throughout the Western Ghats region in Maharashtra (India). Aim of the study: To isolate the active molecule from Eulophia nuda and to study its cytotoxic potential against human cancer cells. Materials and methods: The crude methanolic extract of Eulophia nuda tubers was fractionated by stepwise gradient of the solvents chloroform-methanol to isolate the pure compound. Isolated pure compound was assessed for its cytotoxic potential against human breast cancer cell lines, MCF-7 and MDA-MB-231 using MTT assay. Structure elucidation of the isolated active compound was carried out by extensive spectroscopic analysis including (1)H NMR, (13)C NMR, NOESY, COSY, LC-MS and IR. Results: The isolated active molecule was identified as phenanthrene derivative 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol. This compound showed good antiproliferative activity against human breast cancer cell lines MCF-7 (91\%) and MDA-MB-231 (85\%) at 1000 mu g/ml concentration. Conclusion: 9,10-Dihydro-2,5-dimethoxyphenanthrene-1,7-diol from Eulophia nuda tubers showed good growth suppressive effect against human cancer cell lines MCF-7 and MDA-MB-231 making it a potential biomolecule against human cancer. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

}, keywords = {Cytotoxic activity, Eulophia nuda, Phenanthrene derivatives}, issn = {0378-8741}, doi = {10.1016/j.jep.2009.12.031}, author = {Shriram, Varsha and Kumar, Vinay and Kishor, P. B. Kavi and Suryawanshi, Sharad B. and Upadhyay, Ankur K. and Bhat, Manoj K.} } @article {42727, title = {Direct hydrogenation of amides to alcohols and amines under mild conditions}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {NOV}, pages = {16756{\textendash}16758}, abstract = {

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

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

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

}, keywords = {AGE, aminoguanidine, antibiotic, diabetic complication, drug repositioning, IC(50)}, issn = {1469-0667}, doi = {10.1255/ejms.1066}, author = {Golegaonkar, Sandeep B. and Bhonsle, Hemangi S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000284101100028, title = {Dynamic study of N {\textquoteleft} N-dimethylparanitroaniline encapsulated in silicalite-1 matrix using neutron spin-echo spectroscopy}, journal = {European Physical Journal-Special Topics}, volume = {189}, number = {1}, year = {2010}, month = {OCT}, pages = {279-284}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

The present work focuses on the dynamic studies of N{\textquoteright}N-dimethyl-paranitroaniline (dmpNA) encapsulated in silicalite zeolite. Quasielastic neutron scattering (QENS) experiments are carried out using neutron spin-echo technique. Polarisation of the scattered neutron beam is measured at carefully chosen values of Q = 0.35, 0.9, 1.1 and 1.45 angstrom(-1) at fixed T = 298K and at fixed Q = 0.9 angstrom(-1) at 150, 200, 250 and 298 K. This gives insight into the motion and the related activation energy of the guest dmpNA molecule. The quasielastic signal observed in the present system within the time range considered is due to fast local rotational motions of protons of the end methyl groups. The results are in good agreement with the dynamics of methyl group rotations reported in the literature by back-scattering QENS technique.

}, issn = {1951-6355}, doi = {10.1140/epjst/e2010-01333-9}, author = {Bhange, Deu S. and Dejoie, C. and Porcher, F. and Malikova, N. and Martinetto, P. and Dooryhee, E. and Anne, M.} } @article { ISI:000286305100010, title = {Effect of leakage current and dielectric constant on single and double layer oxides in MOS structure}, journal = {Thin Solid Films}, volume = {519}, number = {5, SI}, year = {2010}, note = {37th International Conference on Metallurgical Coatings and Thin Films, San Diego, CA, APR 26-30, 2010}, month = {DEC}, pages = {1530-1535}, publisher = {Amer Vacuum Soc, Adv Surface Engn Div}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

MOS structure of Al/Al2O3/n-Si, Al/TiO2/n-Si and Al/Al2O3/TiO2/n-Si was obtained by deposition of Al2O3 and TiO2 on silicon substrate by RF Magnetron Sputtering system. The total thickness of the oxide layer similar to 40 +/- 5 nm in the MOS structure was kept constant. Samples were characterized by X-Ray diffraction (XRD). X-Ray photoelectron spectroscopy (XPS), Impedance analyzer and Current-voltage (J-V) characteristics. The variations in the dielectric constant and tan 8 of the MOS capacitor in the frequency range of 1000Hz-1MHz were measured by impedance analyzer. The variation in dielectric constant of the Al/Al2O3/TiO2/n-Si multilayer compared to single layer of Al/Al2O3/n-Si and Al/TiO2/n-Si is due to high probability of defects, lattice mismatch and interface interactions. The steep rise of Tan 6 values in the Al/Al2O3/TiO2/n-Si structure is due to the resonance effect of both Al2O3 and TiO2 layers. The leakage current mechanisms of MOS structures were extracted from Schottky coefficient and Poole-Frenkel coefficient. Theoretical values of Schottky coefficients (beta(SC)) and Poole-Frenkel coefficients (beta(PF)) for each sample were estimated using the real part of the dielectric constant. The experimental values were calculated from J-V characteristics and compared with theoretical values. The appropriate model has been proposed. It was found that Schottky and Poole-Frenkel mechanisms are applicable at low and high field respectively for all MOS structures. The combination of Al/Al2O3/TiO2/n-Si is found to be a promising structure with high dielectric constant and low leakage current suitable for MOS devices. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Al2O3, dielectric constant, Leakage current, MOS device, Poole-Frenkel emission, Schottky emission, TiO2}, issn = {0040-6090}, doi = {10.1016/j.tsf.2010.08.089}, author = {Laha, Pinaki and Panda, A. B. and Dahiwale, S. and Date, Kalyani S. and Patil, K. R. and Barhai, P. K. and Das, A. K. and Banerjee, Indrani and Mahapatra, S. K.} } @article {42747, title = {Effect of nanoparticle conjugation on gene silencing by RNA interference}, journal = {Journal of American Chemical Society}, volume = {132}, year = {2010}, month = {JUN}, pages = {8241-8243}, doi = {10.1021/ja102132e}, author = {Singh, Neetu and Agrawal, Amit C. and Leung, Anthony K. L. and Sharp, Phillip A. and Bhatia, Sangeeta N.} } @article { ISI:000275706100023, title = {Elucidation of the role of hexamine and other precursors in the formation of magnetite nanorods and their stoichiometry}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {13}, year = {2010}, month = {FEB}, pages = {3246-3253}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hexamine is known to assist anisotropic growth of metal oxides and the same is also found to be true for magnetite nanosynthesis. In this work we elucidate the role of hexamine and other precursors in the formation of magnetite nanorods by the hydrothermal route and their stoichiometry. Various others hydrolyzing agents such as sodium hydroxide (NaOH), sodium hydroxide + hexamine, ammonia (NH(3)), ammonia + formaldehyde are also studied. The synthesized nanoparticles are characterized with the help of various techniques such as X-ray diffraction (XRD), FT-IR spectroscopy, UV-VIS-NIR spectroscopy, transmission electron microscopy (TEM), Mossbauer spectroscopy and SQUID magnetization measurements. It is found that only when ferric chloride, ferrous ammonium sulfate (FAS) and hexamine are used, well defined nanorods are formed. When sodium hydroxide and hexamine are used as a hydrolyzing system nearly spherical nanoparticles with small size (similar to 13 nm) are formed, as compared to the case of sodium hydroxide alone which leads to bigger cube like nanoparticles. Interestingly the decomposition products of hexamine do not lead to nanorod formation. Thus, slow decomposition of hexamine at elevated temperature and the consequent slow rise in pH is the key to the anisotropic growth of the iron oxide system.

}, issn = {1463-9076}, doi = {10.1039/b917407a}, author = {Singh, Hema and Bhagwat, Shrikant and Jouen, Samuel and Lefez, Benoit and Athawale, Anjali A. and Hannoyer, Beatrice and Ogale, Satishchandra} } @article {43205, title = {Enantiospecific synthesis of sex pheromone of the obscure mealybug from pantolactone via tandem conjugate addition/cyclization}, journal = {Tetrahedron Letters}, volume = {51}, year = {2010}, month = {OCT}, pages = {5291-5293}, abstract = {An efficient synthesis of an enantiomer of insect{\textquoteright}s natural pheromone is reported starting from chiral pool D-(-)-pantolactone. Highly stereoselective tandem conjugate addition/cyclization sequence and hydrogenation of exocyclic double bond are the key steps in the present synthesis. (C) 2010 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2010.07.166}, author = {Hajare, Atul K. and Datrange, Laxmikant S. and Vyas, Samir and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000275702600044, title = {Enhanced negative thermal expansion in MFI molecular sieves by varying framework composition}, journal = {Microporous and Mesoporous Materials}, volume = {130}, number = {1-3}, year = {2010}, month = {MAY}, pages = {322-326}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present investigations we have carried out the high temperature X-ray diffraction (HTXRD) studies on the metallosilicate molecular sieves iron silicalite-1 (FeS-1) samples of different Si/M ratios (Si/Fe = 50, 75, 100 and infinity) for their negative thermal expansion (NTE) behavior. All the samples exhibit NTE behavior in the temperature range 373-773 K. Systematic increase in negative thermal expansion coefficient is observed as a function of increasing Fe content in the MFI framework. Strength of the negative thermal expansion increases in the order Si/Fe = infinity \< 100 \< 75 \< 50. It is concluded that by changing the composition of the framework of MFI, enhanced negative thermal expansion can be obtained. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {HTXRD, Negative thermal expansion, Silicalite-1}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2009.11.029}, author = {Bhange, Deu S. and Ramaswamy, Veda} } @article { ISI:000274459600009, title = {Evidence for the co-existence of distorted tetrahedral and trigonal bipyramidal aluminium sites in SrAl12O19 from Al-27 NMR studies}, journal = {Solid State Communications}, volume = {150}, number = {5-6}, year = {2010}, month = {JAN}, pages = {262-266}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Strontium aluminate, SrAl12O19, is a ceramic material having the hexagonal magnetoplumbite-type structure, with multiple Al coordination environments. An earlier low-field Al-27 solid-state NMR study reported five different Al sites in this system: one AlO4, one AlO5, and three AlO6 sites; whereas a later high-field study showed that the AlO5 site is a distorted AlO4 site with a very large quadrupolar coupling constant (similar to 20 MHz). Our magic angle spinning (MAS) and 3-quantum magic angle spinning (3QMAS) NMR studies at 7.05 T unambiguously show evidence for an AlO5 site. However, evidence for the presence of a distorted AlO4 site is obtained from studies at high fields (16.4 and 17.6 T), in addition to the AlO5 site. Thus the present solid-state NMR studies give evidence for the simultaneous presence of both the five-coordinated and distorted four-coordinated sites in this system. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Local structure, MQMAS, Nuclear magnetic resonance, Strontium aluminate}, issn = {0038-1098}, doi = {10.1016/j.ssc.2009.11.008}, author = {Harindranath, K. and Viswanath, K. Anusree and Chandran, C. Vinod and Braeuniger, Thomas and Madhu, Perunthiruthy K. and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000273400300004, title = {Experimental and theoretical study on the remarkable influence of protecting groups on the selectivity of addition of amines to vinyl sulfone-modified hex-2-enopyranosides}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {2}, year = {2010}, month = {JAN}, pages = {303-314}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Although phenylmethylene-protected vinyl sulfone-modified carbohydrate 2 alpha reacts with both primary and secondary amines in Michael fashion to afford aminated products, only primary amines react with the dibenzyl-protected 3 alpha, 6-O-trityl-protected 4 alpha, and unprotected 5 alpha, highlighting for the first time the remarkable influence of protecting, groups on the reaction patterns of vinyl sulfone-modified carbohydrates. The quantum chemical calculations suggest that the Michael addition of amines and proton transfer to vinyl sulfone-modified carbohydrates 2 alpha and 5 alpha are possible via relay process in a concerted mechanism. These calculations reveal that the addition of primary amines to vinyl sulfone-modified carbohydrate is preferential due to the low activation energy barriers, whereas the addition of secondary amines has relatively higher activation energy barriers. The theoretical conclusions are in line with the experimental observations.

}, issn = {0022-3263}, doi = {10.1021/jo902046g}, author = {Bhattacharya, Rahul and Kesharwani, Manoj K. and Manna, Chinmoy and Ganguly, Bishwajit and Suresh, Cheravakattu G. and Pathak, Tanmaya} } @article { ISI:000285413300005, title = {Fabrication of In-doped SnO2 nanowire arrays and its field emission investigations}, journal = {Journal of Experimental Nanoscience}, volume = {5}, number = {6}, year = {2010}, month = {DEC}, pages = {PII 931283663}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The field emission of In-doped SnO2 wire array has been performed in parallel plate diode configuration. A maximum current density of 60 mu A/cm2 is drawn from the emitter at an applied field of 4 V/mu m. The nonlinearity in the Fowler-Nordheim plot, characteristics of semiconductor emitter has been observed and explained on the basis of electron emission from both the conduction and the valence bands. The current stability recorded at a preset value of 1 mu A is observed to be good. The high emission current density, good current stability and mechanically robust nature of the wires offer unprecedented advantages as promising cold cathodes for many potential applications based on field emission.

}, keywords = {cold cathodes, device, Doping, field emission, Nanowires, SnO2}, issn = {1745-8080}, doi = {10.1080/17458081003671683}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, B. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000285081100050, title = {Ferrocene-Bis(thymine/uracil) conjugates: base pairing directed, spacer dependent self-assembly and supramolecular packing}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {24}, year = {2010}, month = {DEC}, pages = {8705-8708}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

X-ray crystallographic studies of methylene linked Ferrocene-bis(thymine/uracil) conjugates Fc(T:T)m and Fc(U:U)(M) reveal base dependent 2-D supramolecular assemblies generated via wobble self-pairing for bis-thymine and reverse wobble self-pairing for bis-uracil conjugates, differing in architecture from the corresponding butylene spacer linked conjugates

}, issn = {0022-3263}, doi = {10.1021/jo101813z}, author = {Patwa, Amit N. and Gonnade, Rajesh G. and Kumar, Vaijayanti A. and Bhadbhade, Mohan M. and Ganesh, Krishna N.} } @article { ISI:000272071800042, title = {Flocculation of dimorphic yeast benjaminiella poitrasii is altered by modulation of NAD-glutamate dehydrogenase}, journal = {Bioresource Technology}, volume = {101}, number = {4}, year = {2010}, month = {FEB}, pages = {1393-1395}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A strategy to control flocculation is investigated using dimorphic yeast, Benjaminiella poitrasii as a model. Parent form of this yeast (Y) exhibited faster flocculation (11.1 min) than the monomorphic yeast form mutant Y-5 (12.6 min). Atomic force microscopy revealed higher surface roughness of Y (439.34 rms) than Y-5 (52 rms). Also, the former had a zeta potential of -65.97 +/- 3.45 as against -50.21 +/- 2.49 for the latter. Flocculation of both Y and Y-5 could be altered by supplementing either substrates or inhibitor of NAD-glutamate dehydrogenase (NAD-GDH) in the growth media. The rate of flocculation was promoted by alpha-ketoglutarate or isophthalic acid and decelerated by glutamate with a statistically significant inverse correlation to corresponding NAD-GDH levels. These interesting findings open up new possibilities of using NAD-GDH modulating agents to control flocculation in fermentations for easier downstream processing. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Benjaminiella poitrasii, dimorphism, flocculation, NAD-glutamate dehydrogenase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.09.052}, author = {Joshi, C. V. and Ghormade, Vandana and Kunde, P. and Kulkarni, P. and Mamgain, H. and Bhat, Suresh K. and Paknikar, K. M. and Deshpande, Mukund V.} } @article { ISI:000272936000061, title = {Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {20}, number = {2}, year = {2010}, month = {JAN}, pages = {722-725}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

As a part of our program to develop new antifungal agents, a series of fluconazole analogues was designed and synthesized wherein one of the triazole moieties in fluconazole was replaced with 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moiety. The new chemical entities thus synthesized were screened against various fungi and it was observed that the compounds 4a and 4i are potent inhibitors of Candida strains. The structure-activity relationship for these compounds is discussed. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {antifungal, Benzothiazinone, Benzoxazinone, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.11.071}, author = {Borate, Hanumant B. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Chandavarkar, Mohan A. and Vaiude, Sharangi R. and Joshi, Vinay A. and Wakharkar, Radhika D. and Iyer, Ramki and Kelkar, Ramesh G. and Chavan, Subhash P. and Kunte, Sunita S.} } @article { ISI:000280574600029, title = {Free radical graft copolymerization of N-vinyl-2-pyrrolidone onto k-carrageenan in aqueous media and applications}, journal = {Carbohydrate Polymers}, volume = {82}, number = {2}, year = {2010}, month = {SEP}, pages = {424-431}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

In the present article, the graft copolymer of k-carrageenan with N-vinyl-2-pyrrolidone (NVP) has been synthesized using PMS/maleic acid as a redox initiator in aqueous medium and reaction conditions have been optimized to obtain maximum \% grafting ratio (\%G). The optimum conditions of maximum grafting have been found by varying the different parameters. On increasing the concentration of maleic acid and peroxymonosulphate from 1.6 x 10(-3) to 4.8 x 10(-3) mol dm(-3) and 0.6 x 10(-2) to 2.2 x 10(-2) mol dm(-3) respectively, the initially grafting parameters increased and after a certain range of concentration grafting parameters showed decreasing trend. The small increment of concentration in hydrogen ion causes increment in percentage grafting. It was observed that the grafting parameters increase as the concentration of N-vinyl-2-pyrrolidone increases up to 16 x 10(-2) mol dm(-3) after that it decreased. The optimum condition for maximum grafting has obtained at concentration 1.0 g dm(-3) of k-carrageenan at 40 degrees C and 120 min, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {flocculation, Graft copolymer, k-Carrageenan, Metal ion uptake, N-vinyl-2-pyrrolidone, swelling}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2010.04.080}, author = {Mishra, Madan Mohan and Sand, Arpit and Mishra, Dinesh Kumar and Yadav, Mithilesh and Behari, Kunj} } @article { ISI:000279843200010, title = {Harnessing structure-activity relationship to engineer a cisplatin nanoparticle for enhanced antitumor efficacy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {28}, year = {2010}, month = {JUL}, pages = {12435-12440}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Cisplatin is a first line chemotherapy for most types of cancer. However, its use is dose-limited due to severe nephrotoxicity. Here we report the rational engineering of a novel nanoplatinate inspired by the mechanisms underlying cisplatin bioactivation. We engineered a novel polymer, glucosamine-functionalized polyisobutylene-maleic acid, where platinum (Pt) can be complexed to the monomeric units using a monocarboxylato and an O {\textendash}\> Pt coordinate bond. We show that at a unique platinum to polymer ratio, this complex self-assembles into a nanoparticle, which releases cisplatin in a pH-dependent manner. The nanoparticles are rapidly internalized into the endolysosomal compartment of cancer cells, and exhibit an IC50 (4.25 + 0.16 mu M) comparable to that of free cisplatin (3.87 +/- 0.37 mu M), and superior to carboplatin (14.75 +/- 0.38 mu M). The nanoparticles exhibited significantly improved antitumor efficacy in terms of tumor growth delay in breast and lung cancers and tumor regression in a K-ras(LSL/+)/Pten(fl/fl) ovarian cancer model. Furthermore, the nanoparticle treatment resulted in reduced systemic and nephrotoxicity, validated by decreased biodistribution of platinum to the kidney as quantified using inductively coupled plasma spectroscopy. Given the universal need for a better platinate, we anticipate this coupling of nanotechnology and structure-activity relationship to rationally reengineer cisplatin could have a major impact globally in the clinical treatment of cancer.

}, keywords = {cancer, chemotherapy, nanomedicine}, issn = {0027-8424}, doi = {10.1073/pnas.1007026107}, author = {Paraskar, Abhimanyu S. and Soni, Shivani and Chin, Kenneth T. and Chaudhuri, Padmaparna and Muto, Katherine W. and Berkowitz, Julia and Handlogten, Michael W. and Alves, Nathan J. and Bilgicer, Basar and Dinulescu, Daniela M. and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000284266200038, title = {Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction}, journal = {Crystengcomm}, volume = {12}, number = {12}, year = {2010}, month = {Aug}, pages = {4184-4197}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The crystal structure of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate (1) which underwent a facile intermolecular benzoyl transfer reaction in the solid state, revealed a helical assembly of molecules along the two-fold screw axis via O-H center dot center dot center dot O hydrogen bond bringing the electrophile (C=O) and the nucleophile (-OH) in close proximity along the helical axis. However, structurally related racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (2) and chloro (3)) produced triclinic dimorphs (both P (1) over bar) when crystallized from methanol and ethyl acetate. Molecules in either form did not assemble spirally (like 1), and instead exhibited a one-dimensional isostructurality, bridging O-H center dot center dot center dot O linked identical molecular strings via C-H center dot center dot center dot O interactions across the inversion center. However, the molecules of 2 and 3 assembled in a helical manner similar to 1 with inclusion of solvent molecules in the crystal lattice when crystallized from other common organic solvents. Remarkably, in all the solvates the host molecules formed strikingly similar helices around the crystallographic 2(1)-screw axis through O-H center dot center dot center dot O bond involving the -OH group and carbonyl oxygen of the equatorial C2-O-benzoyl group. Comparison of the crystal structure of dimorphs and the solvatomorphs revealed that the solvent molecules, which interact with the orthoformate-bridge, trigger the helix formation of the host. The difference in the crystal structures of solvatomorphs arises in the interlinking of the neighbouring helices, which creates voids of different sizes to accommodate the solvent molecules. All the solvates crystallized in the monoclinic system distributed over three different space groups P2(1)/n, P2(1)/c and C2/c. In the P2(1)/n system, the adjacent helices are linked via C-X center dot center dot center dot O contacts, in P2(1)/c via C-H center dot center dot center dot X (X Cl, Br) contacts and in C2/c via short X center dot center dot center dot X contacts (X = Cl). The helical organization achieved through solvent mediation and inclusion is of significance in creating molecular packing for intermolecular acyl transfer reactions in crystals.

}, issn = {1466-8033}, doi = {10.1039/b924482d}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000280145000055, title = {High aspect ratio nanoscale multifunctional materials derived from hollow carbon nanofiber by polymer insertion and metal decoration}, journal = {Chemical Communications}, volume = {46}, number = {30}, year = {2010}, month = {JUN}, pages = {5590-5592}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel high aspect ratio material which can simultaneously display multiple functions such as proton and electron conductivity and electrocatalytic activity has been developed by incorporating both platinum nanoparticles and phosphoric acid doped polybenzimidazole along the inner and outer surfaces of a hollow carbon nanofiber.

}, issn = {1359-7345}, doi = {10.1039/c0cc00571a}, author = {Balan, Beena K. and Kale, Vinayak S. and Aher, Pradnya P. and Shelke, Manjusha V. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article { ISI:000277423200006, title = {Hydrophobically modified poly(vinyl alcohol) using alkoxy-substituted methyl gallate: synthesis and rheology}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {48}, number = {10}, year = {2010}, month = {MAY}, pages = {1054-1063}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Hydrophobically modified poly(vinyl alcohol) (HMPVA) polymers were synthesized by potassium t-butoxide-catalyzed reaction of PVA with methyl 3,4,5-tris(n-octyloxy) benzoate (MGC(8))/3,4,5-tris(n-dodecyloxy) benzoate (MGC(12)) and 1,3-propane sultone. The concentration of 1,3-propane sultone was kept constant at 10 mol \%. and that of MGC(8) (2, 3, and 4 mol \%)/MGC(12) (2 and 3 mol \%) was varied to obtain HMPVAs with different hydrophobic contents. The incorporation of MGC(8)/MGC(12) and 1,3-propane sultone onto HMPVA was confirmed by NMR spectroscopy. Rheological properties of aqueous solutions also confirmed the presence of hydrophobic and charged functional groups on HMPVAs. In the semidilute regime, the specific viscosity of HMPVAs followed concentration scaling that is typical of polyelectrolytes. At higher concentrations, the HMPVA solutions with 3 and 4 mol \% of MGC(8) exhibited large increase in specific viscosity. Oscillatory experiments on these solutions exhibited gel-like behavior at polymer concentrations of 40-50 g/L. Confocal microscopy images of HMPVA with 4 mol \% of MGC(8) clearly indicated the existence of microgels. The tendency of formation of microgels further increased with increasing chain length of the hydrophobe, that is, with MGC(12). These samples exhibited rheological behavior that is typical of soft solids and was therefore probed by the strain-rate frequency superposition technique reported recently in the literature. HMPVAs with improved rheological properties show potential applications as thickeners in cosmetic creams, lotions and as drug carriers in pharmaceutical formulations. (C) 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1054-1063, 2010

}, keywords = {gallic acid, hydrophobically modified poly(vinyl alcohol), Rheology, water-soluble polymers}, issn = {0887-6266}, doi = {10.1002/polb.21995}, author = {Shedge, Aarti S. and Wadgaonkar, Prakash P. and Lele, Ashish K. and Badiger, Manohar V.} } @article { ISI:000278307300007, title = {Influence of filler size and morphology in controlling the thermal emissivity of aluminium/polymer composites for space applications}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {40-44}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper has addressed the problem of controlling the thermal emissivities from metal/polymer composites prepared by solution method. Aluminium is used as a filler and polystyrene as a polymer-matrix. Aluminium particles, with micrometer and nanometer dimensions having different morphologies, were employed. The values of emissivities were reduced when the coarse grains and flakes of aluminium were used as fillers, whereas, no significant change was observed when nano-aluminium was used in the composite. Dielectric dispersion for the composites was measured and the results are analysed in view of Fresnel relation. The differences in the values of dielectric constants, between the experimentally measured and those which can be predicted theoretically, are thought to arise from the interfacial polarization. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Camouflaging, Composite, dielectric constant, Infra-red, Thermal emissivity}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.11.009}, author = {Babrekar, Harshada A. and Kulkarni, Naveen V. and Jog, Jyoti Prakash and Mathe, Vikas L. and Bhoraskar, S. V.} } @article {42454, title = {Intermolecular N-heterocyclic carbene-catalyzed hydroacylation of arynes}, journal = {Angewandte Chemie-International Edition}, volume = {49}, year = {2010}, month = {DEC}, pages = {9761{\textendash}9764}, abstract = {

A formal introduction: The conceptually new N-heterocyclic carbene catalyzed formal insertion of arynes into the Cformyl[BOND]H bond of aldehydes demonstrates the compatibility of nucleophilic NHCs with electrophilic arynes. This NHC-catalyzed hydroacylation of arynes allows the conversion of aliphatic, α,β-unsaturated, and aromatic aldehydes into aryl ketones; 27 examples and a preliminary mechanistic investigation are provided.

}, doi = {10.1002/anie.201005490}, author = {Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000288434800016, title = {Kinetics studies and mechanism evolution of the epoxidation of styrene over nanoporous Au doped TS-1}, journal = {Polish Journal of Chemical Technology}, volume = {12}, number = {4}, year = {2010}, month = {JAN}, pages = {72-78}, publisher = {VERSITA}, address = {SOLIPSKA 14A-1, 02-482 WARSAW, POLAND}, abstract = {

{A kinetic investigation of the slurry phase epoxidation of styrene with hydrogen peroxide has been carried out, for the first time, over nanoporous Au doped TS-1 catalyst, in a batch reactor, in the temperature range of 313-333 K. It was found that product selectivity and the rate of reaction are greatly influenced by concentrations of styrene and hydrogen peroxide. Kinetics studies reveal that the mechanism of the reaction is of the {\textquoteleft}{\textquoteleft}Redox{\textquoteright}{\textquoteright} type. The rate equation

}, keywords = {Au/TS-1, epoxidation, kinetics, styrene, Styrene oxide}, issn = {1509-8117}, doi = {10.2478/v10026-010-0054-6}, author = {Saxena, Samidha and Dwivedi, Reena and Bhadauria, Sheenu and Chumbhale, Vilas R. and Prasad, Rajendra} } @article {42748, title = {Large-bite bisphosphite, 1,3-C6H4{OPOC10H6(μ-S)C10H6O}2: synthesis, copper(I), and gold(I) complexes}, journal = {Journal of Organometallic Chemistry}, volume = {695}, year = {2010}, month = {NOV}, pages = {981{\textendash}986}, abstract = {

Large-bite bisphosphite ligand 1,3-C6H4{OPOC10H6(μ-S)C10H6O}2 (3), is obtained by reacting chlorophosphonite {OC10H6(μ-S)C10H6O}PCl (2) with resorcinol in the presence of triethylamine. Treatment of 3 with CuCl in 1:1 molar ratio produces a 1D-coordination polymer [CuCl{({\textendash}OC10H6(μ-S)C10H6O{\textendash})P({\textendash}OC6H4O{\textendash})P({\textendash}OC10H6(μ-S)C10H6O{\textendash})}-κP,κP]$\infty$ (4) in good yield. Similar reaction of 3 with two equivalents of AuCl(SMe2) affords a dinuclear complex, [Au2Cl2{({\textendash}OC10H6(μ-S)C10H6O{\textendash})P({\textendash}OC6H4O{\textendash})P({\textendash}OC10H6(μ-S)C10H6O{\textendash})}-κP,κP] (5). Single crystal X-ray structures of the ligand 3 and the complexes 4 and 5 are reported. The gold complex 5 shows dimeric structure supported by strong Au{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}Au aurophilic interactions.

}, author = {Balakrishna, Maravanji S. and Kumar, Pawan and Punji, Benudhar and Mague, Joel T.} } @article { ISI:000274424100003, title = {Mild, efficient, and regioselective monobromination of arylamines and phenols using [BBIm]Br-3 as a new reagent}, journal = {Synthetic Communications}, volume = {40}, number = {5}, year = {2010}, month = {APR}, pages = {PII 919083074}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

We report here an efficient method for the synthesis and characterization of the room-temperature ionic liquid 1,3-di-n-butylimidazolium tribromide ([BBIm]Br-3) (2) and its application as an efficient reagent and solvent for regioselective bromination of arylamines and phenols under mild conditions. The bromination was carried out in the absence of organic solvents, and in most cases, the only extraction solvent needed was water. The spent 1,3-di-n-butylimidazolium bromide (1) was easily recycled.

}, keywords = {Ionic liquid, monobromination, Regioselective, Solvent-free, [BBIm]Br3}, issn = {0039-7911}, doi = {10.1080/00397910903009430}, author = {Borikar, Sanjay P. and Daniel, Thomas and Paul, Vincent} } @article {42579, title = {Mn-doped nanocrystals in light-emitting diodes: energy-transfer to obtain electroluminescence from quantum dots}, journal = {Applied Physics Letters}, volume = {97}, year = {2010}, month = {SEP}, pages = {Article number: 113502}, abstract = {

We fabricatelight-emitting diodes(LEDs) based on Mn-doped ZnSnanocrystals along with hole-transporting bis(3-methylphenyl)--diphenyl-benzidine (TPD). With Mn-doping, ZnSnanostructures exhibit a strong photoluminescence. The LEDs exhibit electroluminescence(EL) from Mn-doped ZnSquantum dots and TPD. In order to open up channels for energy-transfer from TPD to quantum dots and to achieve EL from only the nanoparticles, we grow core-shell nanoparticles with Mn-doped ZnS in the core and CdS as the shell layer. Excitons formed in TPD can now transfer their energy directly to the shell-layer to yield EL from only the nanoparticles.

}, doi = {10.1063/1.3489099}, author = {Rath, Arup Kumar and Bhaumik, Saikat and Pal, Amlan J.} } @article { ISI:000275755500010, title = {Monitoring structural defects and crystallinity of carbon nanotubes in thin films}, journal = {Pramana-Journal of Physics}, volume = {74}, number = {3}, year = {2010}, month = {MAR}, pages = {447-455}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

We report the influence of catalyst formulation and reaction temperature on the formation of carbon nanotube (CNT) thin films by the chemical vapour deposition (CVD) method. Thin films of CNTs were grown on Fe-Mo/Al(2)O(3)-coated silicon wafer by thermal decomposition of methane at different temperatures ranging from 800 to 1000A degrees C. The electron microscopic investigations, SEM as well as HRTEM, of the as-grown CNT thin films revealed the growth of uniform multi-walled CNTs in abundance. The intensity ratio of D-band to G-band and FWHM of G-band through Raman measurements clearly indicated the dependency of structural defects and crystallinity of CNTs in thin films on the catalyst formulation and CVD growth temperature. The results suggest that thin films of multi-walled CNTs with negligible amount of defects in the nanotube structure and very high crystallinity can be obtained by thermal CVD process at 925A degrees C.

}, keywords = {Carbon nanotubes, chemical vapour deposition, Raman spectroscopy, scanning electron microscopy, Thin films}, issn = {0304-4289}, doi = {10.1007/s12043-010-0040-9}, author = {Mahajan, S. S. and Bambole, M. D. and Gokhale, S. P. and Gaikwad, A. B.} } @article { ISI:000279514400059, title = {Nanoscale modulation of electronic states across unit cell steps on the surface of an epitaxial colossal magnetoresistance manganite film}, journal = {Applied Physics Letters}, volume = {96}, number = {26}, year = {2010}, month = {JUN}, pages = {Article No. 263108}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The nature of electronic states near the edge of unit cell steps on the surface of epitaxial La(0.7)Sr(0.3)MnO(3) (LSMO) thin films grown by real-time reflection high energy electron diffraction monitored pulsed laser deposition is examined by scanning tunneling microscopy and scanning tunneling spectroscopy techniques. It is observed that the electronic states are strongly modulated near the step edge with considerably high gap at the edge and low gap on the terrace. This modulation weakens at low temperature. The temperature evolution of the density of states and the nature of gap in deep metallic state of LSMO are also discussed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3455886]

}, keywords = {colossal magnetoresistance, electronic density of states, lanthanum compounds, magnetic epitaxial layers, Nanostructured materials, pulsed laser deposition, reflection high energy electron diffraction, scanning tunnelling microscopy, scanning tunnelling spectroscopy, strontium compounds}, issn = {0003-6951}, doi = {10.1063/1.3455886}, author = {Rana, Abhimanyu and Bogle, Kashinath A. and Game, Onkar S. and Patil, Shankar and Valanoor, Nagarajan and Ogale, Satishchandra B.} } @article { ISI:000280708400032, title = {New organic-inorganic hybrid microporous organosilica having high metal ion adsorption capacity}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {32}, year = {2010}, month = {JUL}, pages = {9389-9394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new microporous organic-inorganic hybrid organosilica LHMM-2 containing a bis(propyliminomethyl)benzene moiety inside the framework has been synthesized hydrothermally without using any template or structure-directing agent. Powder XRD and TEM image analyses suggest a new disordered microporous structure with pores of dimension ca. 0.54 nm, and C-13 and Si-29 MAS NMR and spectroscopic results indicate the presence of bridging organic bis(propyliminomethyl) benzene moiety in this framework. TPD-NH3 results suggested that nearly 5 times as much bis(propyliminomethyl) benzene moiety is located inside the micropore walls (matrix) than in the surface of the pores. LHMM-2 shows very high adsorption capacity for metal cations like Fe3+, Cu2+ and Zn2+.

}, issn = {1463-9076}, doi = {10.1039/b925619a}, author = {Paul, Manidipa and Pal, Nabanita and Rajamohanan, P. R. and Rana, Bharat S. and Sinha, Anil K. and Bhaumik, Asim} } @article {42453, title = {N-heterocyclic carbene-catalyzed cascade reaction involving the hydroacylation of unactivated alkynes}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {APR}, pages = {5970{\textendash}5971}, abstract = {

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

}, doi = {10.1021/ja102130s}, author = {Biju, Akkattu T. and Wurz, Nathalie E. and Glorius, Frank} } @article { ISI:000274424100004, title = {N-nitrosation of secondary amines using p-TSA-NaNO2 as a novel nitrosating agent under mild conditions}, journal = {Synthetic Communications}, volume = {40}, number = {5}, year = {2010}, month = {FEB}, pages = {PII 919082658}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {N-nitrosation, nitroso amines, p-toluenesulfonic acid, secondary amines}, issn = {0039-7911}, doi = {10.1080/00397910903009448}, author = {Borikar, Sanjay P. and Paul, Vincent} } @article { ISI:000284728400014, title = {Organocatalytic asymmetric synthesis of (-)-delta-coniceine based on sequential proline-catalyzed asymmetric alpha-amination-HWE olefination}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {19}, year = {2010}, month = {OCT}, pages = {2399-2401}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient asymmetric synthesis of (-)-delta-coniceine via sequential proline-catalyzed asymmetric alpha-amination and Horner-Wadsworth-Emmons olefination of an aldehyde with excellent enantiomeric excess (\>99\%) and high yields (overall yield 44\%) is described. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.08.009}, author = {Panchgalle, Sharad P. and Bidwai, Harshad B. and Chavan, Subhash P. and Kalkote, Uttam 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:000275107700001, title = {Photodegradation of methanol under UV-visible irradiation by titania dispersed on polyester cloth}, journal = {Photochemistry and Photobiology}, volume = {86}, number = {2}, year = {2010}, month = {MAR}, pages = {241-246}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Titania supported on polyester fabric (TiO(2)-PY) with varying titania loadings (2-7 wt\%) were prepared via the dip-coating method at room temperature using an aqueous slurry of anatase titania. Structural and morphological characterizations by X-ray diffraction and scanning electron microscopy revealed that the titanium dioxide crystallites deposited on the surface of the polyester fabric were in the micrometer range while their phase remained to be anatase. Photocatalytic activity of TiO(2)-PY fabric catalysts was evaluated for vapor-phase oxidation of methanol in air as a test reaction in the presence of UV as well as solar radiation under ambient conditions. These catalysts were found to be quite active in both UV and solar irradiation with activity being higher in the former case. CO(2) yield from photo-oxidation of methanol depended on titania content and also on its dispersion over polyester fabric support.

}, issn = {0031-8655}, doi = {10.1111/j.1751-1097.2009.00653.x}, author = {Bhattacharyya, Kaustava and Tripathi, Arvind K. and Gupta, Narendra M. and Tyagi, Avesh K.} } @article { ISI:000272180600002, title = {Phylogeographical studies in disjunct populations of symplocos laurina wall. using cytoplasmic PCR-RFLP approach}, journal = {Tree Genetics \& Genomes}, volume = {6}, number = {1}, year = {2010}, month = {DEC}, pages = {13-23}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Genetic variation, haplotype relationships, and potential regions of diversity in Symplocos laurina Wall. (Symplocaceae), a montane tree species from India, have been tested using molecular and biogeographical data to infer phylogeographic patterns. The polymerase chain reaction-restriction fragment length polymorphism technique was used to determine the chloroplast (cp) and mitochondrial (mt) DNA haplotypes of 218 individuals from 12 populations, collected from Northeast India (NEI), which is a part of Indo-Burma biodiversity hotspot, and South India, which includes the Western Ghats (WG), another biodiversity hotspot from India and Eastern Ghats (EG). Nine cpDNA (chlorotypes) and 24 mtDNA haplotypes (mitotypes) were identified; the WG region was identified as the most diverse for chlorotypes and the NEI region for mitotypes. Although a strong population differentiation was observed, phylogeographic structure was found to be absent for both the genomes. The haplotype network revealed the presence of two main lineages: NEI-WG lineage and EG lineage, largely without overlapping distributions. The study tests two hypotheses, namely vicariance and dispersal, to understand the distribution of plants in India. The population structure of S. laurina strongly suggests the persistence of the species in putative refugial areas preglaciation and further establishment of other populations of S. laurina from these refugial populations.

}, keywords = {Cytoplasmic genome, Genetic diversity, Phylogeography}, issn = {1614-2942}, doi = {10.1007/s11295-009-0224-y}, author = {Banu, Sofia and Lagu, Meena D. and Gupta, Vidya S.} } @article { ISI:000274348100003, title = {Polyarylate based thin film composite (TFC) membranes: effects of coating parameters, gutter layer, and intrinsic material properties}, journal = {Separation Science and Technology}, volume = {45}, number = {2}, year = {2010}, month = {JAN}, pages = {163-171}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Investigations in thin film composite (TFC) membrane formation with polyacrylonitrile ultrafiltration membrane as a support and three polyarylates with sequentially increased polarity are reported. Effects of TFC membrane preparation parameters viz., concentration of the coating solution, dip time, presence of solvent in pores of UF membrane support, and presence of the gutter layer were examined towards the formation of the selective skin layer, which was assessed by gas permeation analysis. TFC membranes prepared using dimethyl bisphenol-A based polyarylate exhibited similar to 3 orders of magnitude higher permeability and comparable selectivity as that of its dense membrane.

}, keywords = {Gas permeation, gutter layer, polarity, polyarylates, TFC membrane}, issn = {0149-6395}, doi = {10.1080/01496390903423089}, author = {Chendake, Yogesh J. and Bhole, Yogesh S. and Lohokare, Harshada R. and Kharul, Ulhas K.} } @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:000274490400085, title = {Reductive dechlorination of gamma-hexachlorocyclohexane using Fe-Pd bimetallic nanoparticles}, journal = {Journal of Hazardous Materials}, volume = {175}, number = {1-3}, year = {2010}, month = {MAR}, pages = {680-687}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanoscale Fe-Pd bimetallic particles were synthesized and used for degradation of lindane (gamma-hexachlorocyclohexane) in aqueous solution. Batch studies showed that 5 mg/Lof lindane was completely dechlorinated within 5 min at a catalyst loading of 0.5 g/L and the degradation process followed first-order kinetics. GC-MS analysis in corroboration with GC-ECD results showed the presence of cyclohexane as the final degradation product. The proposed mechanism for the reductive dechlorination of lindane involves Fe corrosion-induced hydrogen atom transfer from the Pd Surface. The enhanced degradation efficiency of Fe-Pd nanoparticles is attributed to: (1) high specific surface area of the nanoscale metal particles (60 m(2)/g), manyfold greater that of commercial grade micro- or milli-scale iron particles (similar to 1.6 m(2)/g); and, (2) increased catalytic reactivity due to the presence of I{\textquoteright}d on the Surface. Recycling and column studies showed that these nanoparticles exhibit efficient and sustained catalytic activity. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Bimetallic, Cyclohexane, Degradation, kinetics, Lindane, Nanoparticles}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2009.10.063}, author = {Nagpal, Varima and Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article { ISI:000278725100023, title = {Renewable H-2 from glycerol steam reforming: effect of La2O3 and CeO2 addition to Pt/Al2O3 catalysts.}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {619-628}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Glycerol is the main byproduct of biodiesel production and its increased production volume derives from the increasing demand for biofuels. The conversion of glycerol to hydrogen-rich mixtures presents an attractive route towards sustainable biodiesel production. Here we explored the use of Pt/Al2O3-based catalysts for the catalytic steam reforming of glycerol, evidencing the influence of La2O3 and CeO2 doping on the catalyst activity and selectivity. The addition of the latter metal oxides to a Pt/Al2O3 catalyst is found to significantly improve the glycerol steam reforming, with high H-2 and CO2 selectivities. A good catalytic stability is achieved for the Pt/La2O3/Al2O3 system working at 350 degrees C, while the Pt/CeO2/Al2O3 catalyst sharply deactivates after 20 h under similar conditions. Studies carried out on fresh and exhausted catalysts reveal that both systems maintain high surface areas and high Pt dispersions. Therefore, the observed catalyst deactivation can be attributed to coke deposition on the active sites throughout the catalytic process and only marginally to Pt nanoparticle sintering. This work suggests that an appropriate support composition is mandatory for preparing high-performance Pt-based catalysts for the sustainable conversion of glycerol into syngas.

}, keywords = {biofuels, Glycerol, heterogeneous catalysis, platinum, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200900243}, author = {Montini, Tiziano and Singh, Rakesh and Das, Piyali and Lorenzut, Barbara and Bertero, Nicolas and Riello, Pietro and Benedetti, Alvise and Giambastiani, Giuliano and Bianchini, Claudio and Zinoviev, Sergey and Miertus, Stanislav and Fornasiero, Paolo} } @article { ISI:000279836400055, title = {Room temperature synthesis of rutile TiO2 hierarchical nanoneedle flower morphology for dye sensitized solar cell}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {9}, year = {2010}, month = {SEP}, pages = {5894-5898}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Rutile TiO2 nanoneedle flowers (representing concurrent nano-micro hierarchical morphology) with high shape anisotropy ratio are synthesized at room temperature by using a simple and efficient one step electrochemical process of anodic dissolution. This process employs highly acidic bath of perchloric acid (pH \< 2) and a large current density on the surface of Titanium foil to form nanostructures. The diameter and length of rutile TiO2 nanoneedle is similar to 8 nm and 100 nm respectively (aspect ratio \> 10). Dye sensitized solar cell (DSSC) configured using such rutile TiO2 flowers is shown to exhibit IPCE of 30\% and power conversion efficiency of similar to 3.6\%.

}, keywords = {Anodization, DSSC, Nanoneedles, Rutile TiO2}, issn = {1533-4880}, doi = {10.1166/jnn.2010.2475}, author = {Hyam, Rajeshkumar S. and Bhosale, Reshma K. and Lee, Wonjoo and Han, Sung-Hwan and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000282871600015, title = {Selective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {41}, year = {2010}, month = {SEP}, pages = {9073-9080}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {Curvilinear component analysis, Principal component analysis, self-organizing maps}, issn = {0250-5991}, doi = {10.1007/s12038-010-0070-y}, author = {Raje, D. V. and Purohit, H. J. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @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} } @proceedings {42678, title = {On some aspects of fock-space multi-reference coupled-cluster singles and doubles energies and optical properties}, volume = {11}, year = {2010}, month = {APR}, pages = {375-393}, publisher = {Springer}, address = {Netherlands}, author = {Manohar, Prashant Uday and Shamasundar, K. R. and Bag, Arijit and Vaval, Nayana and Pal, Sourav} } @conference { ISI:000279938400011, title = {Static hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach}, booktitle = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives}, series = {Astrophysics and Space Science Proceedings}, year = {2010}, note = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, Indian Inst Astrophys, Kodaikanal Observatory, Bangalore, INDIA, JAN 28-31, 2009}, month = {FEB}, pages = {99-109}, publisher = {Springer}, organization = {Springer}, address = {233 Spring Street, New York, NY 10013, United States}, abstract = {

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

}, isbn = {978-3-642-10321-6}, issn = {1570-6591}, doi = {10.1007/978-3-642-10322-3_11}, author = {Bag, Arijit and Bhattacharya, S. and Pal, S.}, editor = {Chaudhuri, R. K. and Mekkaden, M. V. and Raveendran, A. V. and Narayanan, A. S.} } @article { ISI:000283697400019, title = {Stereocontrolled route to the synthesis of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol}, journal = {Tetrahedron Letters}, volume = {51}, number = {45}, year = {2010}, month = {NOV}, pages = {5927-5929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {1, 3-Aminoalcohol, Aldol-Tishchenko reaction, beta-Hydroxy oxime, Diastereoslective reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.09.011}, author = {Patil, M. N. and Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000280204900018, title = {Structural diversity in a series of metal-organic frameworks (MOFs) composed of divalent transition metals, 4,4 {\textquoteleft}-bipyridine and a flexible carboxylic acid}, journal = {Crystengcomm}, volume = {12}, number = {8}, year = {2010}, month = {APR}, pages = {2381-2389}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1466-8033}, doi = {10.1039/c000723d}, author = {Pachfule, Pradip and Panda, Tamas and Dey, Chandan and Banerjee, Rahul} } @article { ISI:000275049800051, title = {Structural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid}, journal = {Crystal Growth \& Design}, volume = {10}, number = {3}, year = {2010}, month = {MAR}, pages = {1351-1363}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, issn = {1528-7483}, doi = {10.1021/cg1003726}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000273580700038, title = {Structure, electronic structure, optical, and dehydrogenation catalytic study of (Zn1-zInz)(O1-xNx) solid solution}, journal = {Chemistry of Materials}, volume = {22}, number = {2}, year = {2010}, month = {JAN}, pages = {565-578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm903368r}, author = {Mapa, Maitri and Sivaranjani, Kumarsrinivasan and Bhange, Deu S. and Saha, Biswajit and Chakraborty, Purushottam and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S.} } @article { ISI:000283745300023, title = {Study of the effect of plasma-striking atmosphere on Fe-oxidation in thermal dc arc-plasma processing}, journal = {Journal of Vacuum Science \& Technology A}, volume = {28}, number = {6}, year = {2010}, month = {NOV}, pages = {1399-1403}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {

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

}, issn = {0734-2101}, doi = {10.1116/1.3504597}, author = {Banerjee, Indrani and Khollam, Y. B. and Mahapatra, S. K. and Das, A. K. and Bhoraskar, S. V.} } @article { ISI:000278592200024, title = {Syntheses, characterisation and vapour pressure of metallo-organic titanium precursor for MOCVD applications}, journal = {Inorganica Chimica Acta}, volume = {363}, number = {10}, year = {2010}, month = {JUN}, pages = {2243-2249}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {MOCVD, Single crystal, Syntheses, Ti complexes, Vapour pressures, Volatile complexes}, issn = {0020-1693}, doi = {10.1016/j.ica.2010.03.033}, author = {Arockiasamy, S. and Manoj, Kochunnoonny and Bhadbhade, Mohan M. and Mallika, C. and Nagaraja, K. S.} } @article { ISI:000278319300033, title = {Synthesis and biodegradation studies of new copolymers based on sucrose derivatives and styrene}, journal = {European Polymer Journal}, volume = {46}, number = {5}, year = {2010}, month = {MAY}, pages = {1151-1157}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Novel unsaturated esters of sucrose were synthesised directly and in good yields from sucrose using a simple, mild, and selective Mitsunobu procedure. These regioisomerically pure vinyl sugars have been copolymerised with styrene by a free radical process, yielding unbranched linear polymer materials with pendant sucrose moieties. Their physical properties indicate that these polymers have potential technological relevance as amphiphilic and biodegradable materials. Biodegradation tests on the copolymer samples by a fungal (Aspergillus niger) culture method showed a fungal growth \>= 60\%, indicating good biodegradability and that the copolymers were partiallybio-assimilated during microbial attack. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2010.02.002}, author = {Barros, M. Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000279996500008, title = {Synthesis and characterization of new aromatic polyesters containing pendent naphthyl units}, journal = {Journal of Applied Polymer Science}, volume = {117}, number = {5}, year = {2010}, month = {SEP}, pages = {2545-2552}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Two bisphenols, viz., 4,4{\textquoteright}-[1-(2-naphthaleny-1)ethylidene]bisphenol and 4,4{\textquoteright}-[1-(2-naphthalenyl) ethylidene]bis-3-methylphenol were prepared by condensation of commercially available 2-acetonaphthanone with phenol and o-cresol, respectively. A series of new aromatic polyesters containing pendent naphthyl units was synthesized by phase-transfer-catalyzed interfacial polycondensation of these bisphenols with isophthaloyl chloride, terephthaloyl chloride, and a mixture of isophthaloyl chlorideiterephthaloyl chloride (50 : 50 mol \%). Inherent viscosities of polyesters were in the range 0.83-1.76 dL g(-1), while number average molecular weights (M(n)) were in the range 61,000-235,000 g mol(-1). Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, m-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetarnide, and 1-methyl-2-pyrrolidinone at room temperature. Tough, transparent, and flexible films were cast from a solution of polyesters in chloroform. X-Ray diffraction measurements displayed a broad halo at 20 congruent to 19 degrees indicating the amorphous nature of polyesters. Glass transition temperatures of polyesters were in the range 209-259 degrees C. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, of polyesters was in the range 435-500 degrees C indicating their good thermal stability. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 117: 2545-2552, 2010

}, keywords = {Aromatic polyesters, bisphenol, interfacial polycondensation, pendent naphthyl units}, issn = {0021-8995}, doi = {10.1002/app.32162}, author = {Honkhambe, Pandurang N. and Biyani, Mahesh V. and Bhairamadgi, Nagendra S. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000276790500011, title = {Synthesis and characterization of new aromatic polyesters containing cardo decahydronaphthalene groups}, journal = {European Polymer Journal}, volume = {46}, number = {4}, year = {2010}, month = {APR}, pages = {709-718}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Three cardo bisphenols containing decahydronaphthalene group viz., 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bisphenol, 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3-methylphenol and 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3,5-dimethylphenol were synthesized starting from commercially available 2-naphthol and were utilized for synthesis of new aromatic polyesters by phase transfer-catalyzed interfacial polycondensation with isophthaloyl chloride, terephthaloyl chloride and a mixture of isophthaloyl chloride and terephthaloyl chloride (50:50 mol \%). Inherent viscosities and number average molecular weights (M(n)) of polyesters were in the range 0.35-0.84 dL/g and 13300-48,500 (Gel Permeation Chromatography, polystyrene standard), respectively. Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetamide, and 1-methy1-2-pyrrolidinone at room temperature and could be cast into tough, transparent and flexible films from their chloroform solutions. Wide-angle X-ray diffraction measurements revealed the amorphous nature of polyesters. The glass transition temperature of polyesters was in the range 207-287 degrees C. The temperature at 10\% weight loss (T(10)), determined from thermogravimetric analysis of polyesters, was in the range 425-460 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {bisphenol, Cardo, Decahydronaphthalene, polyester, Structure-property relationship}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.12.028}, author = {Honkhambe, Pandurang N. and Bhairamadgi, Nagendra S. and Biyani, Mahesh V. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000278307300032, title = {Synthesis and characterization of polyesters from 2,3-bis (4 {\textquoteleft}-hydroxy phenyl) quinoxaline and 2,3-bis (2 {\textquoteleft}-hydroxynaphthalene-6 {\textquoteleft}-yl) quinoxaline}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {186-192}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two bisphenols containing pendant, quinoxaline moiety; 2,3-bis (4{\textquoteright}-hydroxy phenyl) quinoxaline (BHPQ) and 2,3-bis (2{\textquoteright}-hydroxynaphthalene-6-yl) quinoxaline (BHNQ) were synthesized and characterized by FT-IR, (1)H, (13)C NMR and mass spectrometry. Aromatic polyesters and copolyesters were prepared by interfacial polymerization from BHPQ or BHNQ and isophthaloyl chloride or terephthaloyl chloride or a mixture of different mole proportions of (IPC + TPC). These polyesters and copolyesters were characterized by spectroscopic technique, viscosity measurement, solubility, thermal stability. DSC and XRD. Polymers had moderate to high molecular weights as evidenced by the inherent viscosities in the range 0.35-0.78 dL/g for BHPQ series and 0.27-0.52 dL/g for BHNQ series. BHPQ polyesters and copolyesters dissolved in m-cresol, NMP and conc. H(2)SO(4) whereas, BHNQ polyesters and copolyesters were readily soluble in NMP, DMAc, (TCE + phenol) and partly soluble in solvent like CHCl(3), pyridine, etc. Wide angle X-ray diffraction (WAXD) results showed that introduction of quinoxaline moiety into polymer chain and aromatic phenyl/rigid naphthyl structures lead to crystalinity. Differentional scanning calorimetry of BHNQ polyesters showed the glass transition temperatures in the range of 131-151 degrees C. BHPQ polyesters did not show any weight loss below 330 degrees C and retained 27-55\% weight at 900 degrees C when investigated by TGA under nitrogen atmosphere demonstrating good thermal stability BHNQderived polyesters showed initial decomposition temperatures in range 211-234 degrees C. The structure-property relationships for the mentioned polyesters are analyzed, as these polyesters are of interest as materials for electronics, microelectronics and membrane separation. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {2, 3-Bis (2 {\textquoteleft}-hydroxynaphthalene-6 {\textquoteleft}-yl) quinoxaline, 3-Bis (4 {\textquoteleft}-hydroxy phenyl) quinoxaline, Aromatic polyesters, Glass transition temperature, solubility, Thermal properties}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.12.036}, author = {Patil, V. B. and Medhi, M. and Bhairamadgi, Nagendra S. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000277091700039, title = {Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)}, journal = {Crystengcomm}, volume = {12}, number = {5}, year = {2010}, month = {JAN}, pages = {1600-1609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of fluorinated metal-organic frameworks (F-MOFs) have been successfully synthesized under hydrothermal condition using 4,40-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) as a flexible dicarboxylate building block, Cu(+2) and various heterocyclic co-ligands. These F-MOFs formulated as [Cu(hfbba)(phen)(2)]center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-1), [Cu(hfbba)(2)(2,2{\textquoteright}-bipy) 2(H(2)O)] (F-MOF-2), [Cu(hfbba)(4,4{\textquoteright}-dime-2,2{\textquoteright}-bipy)(HCO(2))]center dot(hfbba)(H(2)O) (F-MOF-3), [Cu(2)(hfbba)(2)(3-mepy)(2)]center dot(DMF) 2(3-mepy) (F-MOF-4), and [Cu(hfbba)(2)(phen)(2)]center dot 0.5(DMF) (F-MOF5) (hfbba = 4,4{\textquoteright}-(Hexafluoroisopropylidene) bis(benzoate), phen 1,1{\textquoteright}-phenanthroline; 2,2{\textquoteright}-bipy 2,2{\textquoteright}-bipyridine; 4,4{\textquoteright}dime-2,2{\textquoteright}-bipy 4,4{\textquoteright}-dimethyl 2,2{\textquoteright}-bipyridine; 3-mepy 3-methyl-pyridine and DMF dimethyl formamide) display interesting H-bonded, 1D and 2D structural features. All these F-MOFs were structurally determined by single-crystal X-ray diffraction. F-MOF-1 and 5 form a distorted octahedral Cu(+2) secondary building unit (SBU). F-MOF-5 forms a one-dimensional architecture constructed from Cu(2+) ions bridged by phen anions and two types of 4 hfbba ligands while in F-MOF-1, two among the three acid co-ligands are not coordinated with Cu(2+) ions. F-MOF-2 displays dinuclear SBUs within the three-dimensional frameworks whereas F-MOF-3 displays mononuclear SBUs and forms a one-dimensional chain. F-MOF-4 display a interesting 2D framework with conventional Cu(2)(CO(2))(4) paddle wheel SBU. In the crystal structures four hfbba ligands, each coordinated to a dicopper paddlewheel unit via one of their carboxylate groups. Solid-state properties such as UV-vis and thermal stability of F-MOF-1-5 have also been studied.

}, issn = {1466-8033}, doi = {10.1039/b917483d}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Banerjee, Rahul} } @article { ISI:000276083200006, title = {Synthesis of azepane and nojirimycin iminosugars: the sharpless asymmetric epoxidation of D-glucose-derived allyl alcohol and highly regioselective epoxide ring opening using sodium azide}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {2}, year = {2010}, month = {FEB}, pages = {163-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The Sharp less asymmetric epoxidation of D-glucose-derived ally! alcohol 4 afforded alpha- and beta-epoxides 5a and 5b in high stereoselectivity. The epoxide ring opening in 5a/5b was studied with different nucleophilic azido reagents, under various reaction conditions, and was found to be highly regioselective to give the preferential formation of 6-azido diol 6a/6b over 5-azido-diol 7a/7b. The 6-azido diol 6a/6b and 5-azido dial 7a/7b thus obtained were converted to the corresponding seven- and six-membered iminosugar, namely, azepane 1a/1b and 1-deoxy-nojirimycin 2a/2b. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.01.007}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000276490800006, title = {Synthesis of eight-membered iminocyclitols from D-glucose}, journal = {Tetrahedron}, volume = {66}, number = {15}, year = {2010}, month = {APR0}, pages = {2830-2834}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The Baylis-Hillman reaction of 3-o-benzyl-alpha-d-xylo-pentodialdo-1,4-furanose 2 afforded a diastereomeric mixture of L-ido- and D-gluco-configurated alpha-methylene-beta-hydroxy esters 3a and 3b, respectively, in 1:1 ratio. Conjugate addition of benzyl amine on 3a gave adduct 4a as a major product while, addition of benzyl amine to 3b gave only one diastereomer 4b. Reduction of ester functionality in 4a/4b, opening of 1,2-acetonide functionality followed by reductive amino-cyclization under hydrogenation condition afforded azocanes 1c/1d in good yield. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Baylis-Hillman reaction, Conjugate addition, diastereoselectivity, Iminosugars}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.044}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000276957700010, title = {Synthesis of ethyl acetate by esterification of acetic acid with ethanol over a heteropolyacid on montmorillonite K10}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {2}, year = {2010}, month = {MAR}, pages = {161-164}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In present work, liquid phase esterification of acetic acid with ethanol over dodecatungestophosphoric acid (DTPA) supported on K10 mommorillonite was systematically studied and optimization of process parameters was carried out The 20\% m/m urpAtK tO was found to be the optimum catalyst with 90\% acetic acid conversion and 100\% ethyl acetate selectivity The study was also explored to see the feasibility of 20\% m/m DTPA/K10 as a catalyst for the alkylation of acetic acid with other alcohols like methanol, iso-propanol and sr-butanol. The 20\% m/m DTPA/K10 has shown increased activity with the increase in carbon number, at the same alcohol reflux The results are novel

}, keywords = {Acetic acid, Ethanol, ethyl acetate, Heteropolyacid, montmorillonite K10}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60048-7}, author = {Gurav, Hanumant and Bokade, Vijay V.} } @article { ISI:000277119800027, title = {Synthesis of hydrophilic and amphiphilic acryl sucrose monomers and their copolymerisation with styrene, methylmethacrylate and alpha- and beta-pinenes}, journal = {International Journal of Molecular Sciences}, volume = {11}, number = {4}, year = {2010}, month = {APR}, pages = {1792-1807}, publisher = {MDPI AG}, address = {POSTFACH, CH-4005 BASEL, SWITZERLAND}, abstract = {

Herein, we report the synthesis of monomethacryloyl sucrose esters, and their successful free radical homo- and co-polymerisation with styrene, methylmethacrylate, alpha- and beta-pinene. The chemical, physical, structural and surface chemical properties of these polymers, containing a hydrophobic olefin backbone and hydrophilic sugar moieties as side chains, have been investigated. Biodegradation tests of the copolymer samples by a microbial fungal culture (Aspergillus niger) method showed good biodegradability. The chemical structure and surface chemistry of the synthesized homo- and co-polymers demonstrate their potential technological relevance as amphiphilic and biodegradable polymers.

}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {1422-0067}, doi = {10.3390/ijms11041792}, author = {Barros, Maria Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000278128500009, title = {Synthesis of optically pure 2,3,4-trisubstituted tetrahydrofurans via a two-step sequential Michael-Evans aldol cyclization strategy: total synthesis of (+)-magnolone}, journal = {Tetrahedron Letters}, volume = {51}, number = {22}, year = {2010}, month = {JUN}, pages = {2975-2978}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of optically pure 2,3,4-trisubstituted tetrahydrofurans is described employing a two-step Michael-Evans aldol cyclization strategy. The approach is successfully applied for the total synthesis of furano lignan natural product (+)-magnolone. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {HWE reaction, Lignans, Magnolone, Michael-Evans aldol reaction, Tetrahydrofuran}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.03.111}, author = {Pandey, Ganesh and Luckorse, Srikanth and Budakoti, Asha and Puranik, Vedavati G.} } @article { ISI:000275756700010, title = {Synthesis of the antibacterial benzoquinone primin and its water-soluble analogue, primin acid}, journal = {Synthesis-Stuttgart}, number = {7}, year = {2010}, month = {APR}, pages = {1141-1144}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The biologically active natural product, primin and its water-soluble acid analogue, primin acid are prepared in 34\% and 25\% overall yields, respectively, from a common intermediate using a Grignard reaction and a Johnson-Claisen rearrangement as the key steps.

}, keywords = {1, 4-benzoquinones, Antibacterial, Johnson-Claisen rearrangement, primin, primin acid}, issn = {0039-7881}, doi = {10.1055/s-0029-1218666}, author = {Bhattacharya, Asish K. and Kaur, Tanpreet and Ganesh, Krishna N.} } @article { ISI:000282106600012, title = {Synthetic view of an analogue of the spiro-beta-lactone-gamma-lactam ring in oxazolomycins and lajollamycin}, journal = {Synthesis-Stuttgart}, number = {19}, year = {2010}, month = {OCT}, pages = {3301-3308}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Herein, we describe a new synthetic strategy towards an analogue of the spiro-beta-lactone-gamma-lactam ring found in a class of potent antibiotics, the oxazolomycins and lajollamycin. The synthetic idea relies on the construction of two rings (beta-lactone and pyrrolidinone). The formation of the spiro-beta-lactone was accomplished by a crossed Cannizzaro reaction, while the 3,4-disubstituted pyrrolidinone ring was constructed by a titanium(IV) chloride mediated chelation-controlled double stereodifferentiating Crimmins aldol reaction of Garner{\textquoteright}s aldehyde.

}, keywords = {Crimmins aldol reaction, crossed Cannizzaro reaction, Garner{\textquoteright}s aldehyde, lactones, Mitsunobu reaction, pyrrolidine}, issn = {0039-7881}, doi = {10.1055/s-0030-1257872}, author = {Mondal, Dhananjoy and Bera, Smritilekha} } @article { ISI:000279851200004, title = {Template assisted highly ordered novel self assembly of micro-reservoirs and its replication}, journal = {Lab on a Chip}, volume = {10}, number = {15}, year = {2010}, month = {JAN}, pages = {1902-1906}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel method is developed for template assisted fabrication of a regular assembly of microcavity arrays. Simple micropatterns on PDMS mold are used to create complex geometries via solvent vapor back pressure in a biodegradable polymer. Cavities are in turn replicated in complimentary PDMS mushroom like microstructures.

}, issn = {1473-0197}, doi = {10.1039/c004576d}, author = {Hire, Santosh L. and Shelke, Manjusha V. and Kale, Vinayak S. and Galopin, Elisabeth and Kulkarni, Mohan G. and Boukherroub, Rabah and Ogale, Satishchandra B.} } @article { ISI:000293064700010, title = {Uncatalyzed synthesis of thiomorpholide using polyethylene glycol as green reaction media}, journal = {Green Chemistry Letters and Reviews}, volume = {3}, number = {4}, year = {2010}, month = {DEC}, pages = {315-318}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Polyethylene glycol-600 was used as an efficient and recyclable solvent for the one-pot three component condensation reactions of aryl alkyl ketones, sulfur, and morpholine to produce the corresponding thiomorpholide. This protocol has advantages of high yields, short reaction times, mild reaction conditions, minimal environmental pollution, and simple work up procedure. [GRAPHICS] .

}, keywords = {polyethylene glycol-600, Sulfur, thiomorpholide, Willgerodt-Kindler reaction}, issn = {1751-8253}, doi = {10.1080/17518253.2010.486772}, author = {Gawande, Shrikant S. and Bandgar, Babasaheb P. and Kadam, Prasad D. and Sable, Shailesh S.} } @article { ISI:000273084000005, title = {Understanding the genetic structure of symplocos laurina wall. populations using nuclear gene markers}, journal = {Genetica}, volume = {138}, number = {2}, year = {2010}, month = {FEB}, pages = {197-210}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

To characterize the genetic diversity of present populations of Symplocos laurina, which grow in the montane forests in India, we analyzed the DNA sequences of a nuclear gene. Using the 881 bp sequence of cytosolic Glyceraldehyde-3-phosphate dehydrogenase gene, we detected 24 haplotypes among 195 individuals sampled from 14 populations. Two dominant haplotypes were distributed over the entire range of this species in India and several private haplotypes were found. Low genetic diversity within population, high differentiation, number of population specific haplotypes and deviation from neutral evolution characterized the present populations of S. laurina. An analysis of molecular variance indicated the presence of geographic structure within the haplotype distribution. The occurrence of S. laurina preglaciation in India is the most parsimonious explanation for the current geographic structure observed. The populations are presumably ancient and might have spread across its extant distribution range in India through a recent range expansion event.

}, keywords = {GapC, Genetic diversity, Glaciation, Refugium}, issn = {0016-6707}, doi = {10.1007/s10709-009-9410-y}, author = {Banu, Sofia and Bhagwat, Rasika M. and Kadoo, Narendra Y. and Lagu, Meena D. and Gupta, V. S.} } @article { ISI:000277649500046, title = {Volume transition of PNIPAM in a nonionic surfactant hexagonal mesophase}, journal = {Macromolecules}, volume = {43}, number = {10}, year = {2010}, month = {MAY}, pages = {4782-4790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the volume transition of a thermoresponsive polymer, poly(N-isopropylacrylamide), PNIPAM, in the presence of an aqueous solution of nonionic surfactant, C(12)E(9). We combine turbidimetry with optical microscopy, NMR, and SAXS to follow the volume transition of the PNIPAM and the H(1)-isotropic transition of the surfactant/water system. Nonionic surfactants such as C(12)E(9) are known to interact weakly with PNIPAM. Accordingly, we show that there is only a small change in the volume transition temperature for the PNIPAM in isotropic micellar solutions of C(12)E(9), even for relatively high concentrations of C(12)E(9). Interestingly, once the surfactant forms an H(1) phase, there is a dramatic decrease in the coil globule transition onset temperature. We believe that this behavior results from a competition between C(12)E(9) in the H(1) phase, and PNIPAM to associate with water. When PNIPAM in the H(1) phase is cooled to low enough temperatures so as to be in the coil state, it locally disturbs the hexagonal phase ordering. Thus, we show that for PNIPAM in a weakly interacting surfactant matrix, it is the phase behavior of the matrix rather than the matrix chemistry that governs the coil globule transition. Finally, we show that in a PNIPAM copolymer with a higher LCST we observe an interesting sequence of transitions in the surfactant phase: on cooling from a high temperature free-blowing turbid globular state (similar to 75 degrees C), we enter a free-flowing translucent coil phase (similar to 47 degrees C), then a turbid gel (similar to 25 degrees C) where the copolymer is collapsed in the HI phase, and finally a low-temperature clear gel (similar to 5 degrees C) where the copolymer is in the expanded coil state.

}, issn = {0024-9297}, doi = {10.1021/ma100357h}, author = {Jijo, V. J. and Sharma, Kamendra P. and Mathew, Renny and Kamble, Samruddhi and Rajamohanan, P. R. and Ajithkumar, Thalasseril G. and Badiger, Manohar V. and Kumaraswamy, Guruswamy} } @article { ISI:000294378600020, title = {Active pharmaceutical ingredient (api) from an estuarine fungus, microdochium nivale (Fr.)}, journal = {Journal of Environmental Biology}, volume = {32}, number = {5}, year = {2011}, month = {SEP}, pages = {653-658}, publisher = {TRIVENI ENTERPRISES}, address = {C/O KIRAN DALELA, 1/206 VIKAS NAGAR, KURSI RD, LUCKNOW 226 022, INDIA}, abstract = {

Various marine habitats sustain variety of bio-sources of ecological and biotech potentials. Pharmaceutical potential compound Cyclosporine A was reported from marine fungus Microdochium nivale associated with Porteresia coarctata, a marine salt marsh grass from mangrove environment distributed along the Central West Coast (CWC) of India. This study involves association of M. nivale with P. coarctata plant, fermentation conditions, purification of Cyclosporine A, chemical characterization etc. Its antifungal inhibition and MIC (Minimum inhibitory concentration) against Aspergillus strains (A. niger, A. japonicus, A. fresenii), yeasts and dermatophytes (Candida sp., Cryptococcus neoformans, Trichophyton mentagrophytes, T tonsurans, T violaceum, Microsporium gypsum and Fusarium sp.) were evaluated. However, the MIC against A. japonicus, C. neoformans, Candida sp. and T. tonsurans were confirmed to be as low as 12.5-25 mg disc(-1). The antifungal properties of Cyclosporine A against Aspergillus species, yeast and dermatophytes revealed that Cyclosporine A would be a potential compound for life threatening diseases caused by above fungi in both human and animals. Furthermore, we have reported herewith another source of Cyclosporin A derived from filamentous fungus, M. nivale. occurring in marine environment.

}, keywords = {antifungal, Cyclosporine A, Estuarine environment, Microdochium nivale}, issn = {0254-8704}, author = {Bhosale, Siddharth H. and Patil, K. B. and Parameswaran, P. S. and Naik, C. G. and Jagtap, T. G.} } @article { ISI:000291436600019, title = {Alginic acid-g-poly(N-vinylformamide) graft copolymer: synthesis, characerization, swelling, and flocculation property}, journal = {Journal of Applied Polymer Science}, volume = {121}, number = {3}, year = {2011}, month = {AUG}, pages = {1400-1407}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The graft copolymer of N-vinylformamide with alginic acid was synthesized by free radical polymerization using potassium peroxymonosulphate and thiourea as redox pair in inert atmosphere. The optimum conditions for maximum grafting have been determined by varying the concentrations of N-vinylformamide, potassium peroxymonosulphate, thiourea, sulfuric acid, alginic acid as well as time duration and temperature. The grafting parameters increase up to the certain concentrations of N-vinylformamide, potassium peroxymonosulhate, thiourea, and hydrogen ion while thereafter grafting parameters decrease. The effect of alginic acid concentration on grafting parameters has been observed to decrease continuously. It has also been found that grafting parameters increase up to certain time and temperature, respectively, and thereafter decrease. The swelling properties of graft copolymer in terms of swelling ratio and percent swelling are investigated. Flocculation property of pure and grafted sample for both coking and noncoking coals is also investigated for the treatment of coal mine waste water. The graft copolymer has been characterized by Fourier transform infrared spectroscopy as well as thermogravimetic analysis. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 121: 1400-1407, 2011

}, keywords = {alginic acid, flocculation, Graft copolymer, N-vinylformamide, swelling}, issn = {0021-8995}, doi = {10.1002/app.33540}, author = {Sand, Arpit and Yadav, Mithilesh and Mishra, Dinesh Kumar and Behari, Kunj} } @article {42715, title = {Alkynyl and phosphonyl substituted nucleobases: a case of thermally induced conformational polymorphism}, journal = {Crystal Growth \& Design}, volume = {11}, year = {2011}, month = {APR}, pages = {2302{\textendash}2310}, abstract = {

Substituted nucleobases with alkynyl and phosphonyl groups were investigated in the context of supramolecular interactions and possible use toward synthesis of nucleoside phosphonic acids (NPAs). The adeninyl compound (adeninyl-N-9)-CH2CH2CH2CH2C=CH exhibits conformational polymorphism as revealed by X-ray structures determined at 200 and 298 K. Interestingly, in the compound (adeninyl-N-9)-(CH2)15CH3, the long aliphatic carbon chain does not show disorder. A rather unusual bending of alkyl chain, likely due to C{\textendash}H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O interactions, is observed in the case of the thymine compound (thyminyl)-CH2CH2CH2C=CH that possesses a terminal alkyne group. The powerful hydrogen bond acceptor property of the phosphoryl oxygen (P=O) does not perturb (unless assisted by other hydrogen bonding partners) the homo base-pairing in the structures of most of the phosphonyl substituted nucleobases studied.

}, doi = {10.1021/cg101737x}, author = {Swamy, K. C. Kumara and Allu, Srinivasarao and Srinivas, Venu and Balaraman, Ekambaram and Kumar, K. V. P. Pavan} } @article { ISI:000286766600016, title = {Amino functionalized zeolitic tetrazolate framework (ZTF) with high capacity for storage of carbon dioxide}, journal = {Chemical Communications}, volume = {47}, number = {7}, year = {2011}, month = {JAN}, pages = {2011-2013}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A three dimensional -NH(2) functionalized Zeolitic Tetrazolate Framework (ZTF-1) has been reported. The framework adopts a dia topology (M-L-M angle is close to 156 degrees). ZTF-1 shows high CO(2) (273 K) and H(2) (77 K) uptake due to the presence of the free -NH(2) group and uncoordinated tetrazolate nitrogen.

}, issn = {1359-7345}, doi = {10.1039/c0cc04169f}, author = {Panda, Tamas and Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000291262700018, title = {Aromatic bromination of aldehydes and ketones using 1,3-di-n-butylimidazolium tribromide [BBIm]Br3 ionic liquids under solvent-free conditions}, journal = {Journal of the Iranian Chemical Society}, volume = {8}, number = {2}, year = {2011}, month = {JUN}, pages = {531-536}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

An environmentally benign and efficient process for the preparation of monobromo derivatives of aryl aldehydes and ketones was developed by simple and practical reactions of aryl aldehydes or ketones with 1,3-di-n-butylimidazolium tribromide ([BBIm]Br-3), as a brominating reagent under solvent-free conditions in very high yields. The process has several advantages: high conversions, short reaction time, mild reaction conditions, simple workup with good to quantitative yields and re-usable ionic liquid.

}, keywords = {Bromination, green chemistry, Ionic liquid, Solvent-free, [BBIm]Br-3}, issn = {1735-207X}, doi = {10.1007/BF03249087}, author = {Borikar, Sanjay P. and Daniel, Thomas} } @article { ISI:000299148200039, title = {Azide derivatized anticancer agents of vitamin K-3: X-ray structural, DSC, resonance spectral and API studies}, journal = {Journal of Molecular Structure}, volume = {1006}, number = {1-3}, year = {2011}, month = {DEC}, pages = {288-296}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Compound 1 [1-imino (acetyl hydrazino)-Vitamin K-3], displays valence tautomerically related electronic isomers as Form land Form II. Form I exhibits 2D packing fragment with 1D ribbon chains of N-H center dot center dot center dot O hydrogen bonds and shows EPR silent features. While Form II is EPR active and exhibits biradical nature with double quantum transitions at g = 2.0040. H-1 NMR of compound 2, [1-imino (hydrazino carboxylate)-Vitamin K-3] and Form II exhibit pi delocalization via resonance assisted H-bonding [RAHB] effect compared to Form I. Molecular interactions in Form I and II are visualized by DSC. The electronic structures of compounds 1 and 2 have been correlated to their API values by measuring anticancer activities, mitochondrial potentials and DNA shearing patterns. Form II and compound 2 indicate mitochondria mediated apoptosis (similar to 75\% cell death) while Form I causes 35\% cell death. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Anticancer agents, API (Active Pharmaceutical Ingredients), Electronic isomers, RAHB (resonance assisted H-bonding), Vitamin K-3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.09.022}, author = {Badave, Kirti D. and Patil, Yogesh and Gonnade, Rajesh G. and Srinivas, Darbha and Dasgupta, Rajan and Khan, Ayesha A. and Rane, Sandhya} } @article { ISI:000293587300003, title = {Biocompatible gellan gum-reduced gold nanoparticles: cellular uptake and subacute oral toxicity studies}, journal = {Journal of Applied Toxicology}, volume = {31}, number = {5}, year = {2011}, month = {JUL}, pages = {411-420}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Currently gold nanoparticles are being explored for drug delivery and other biomedical applications; therefore it is necessary to study the fate of such nanoparticles inside the body. The objective of the present study was to investigate the cellular uptake and toxicity of the gold nanoparticles synthesized using a microbial polysaccharide, gellan gum, as a capping and reducing agent. The cellular uptake of gold nanoparticles was studied on mouse embryonic fibroblast cells, NIH3T3 and human glioma cell line, LN-229. The cellular uptake study indicated that the gellan gum-reduced gold nanoparticles were located in cancer cells (LN-229) while no uptake was observed in normal mouse embryonic fibroblast cells (NIH3T3). The toxicity of the gold nanoparticles was evaluated by carrying out subacute 28 day oral toxicity studies in rats. Subacute administration of gum-reduced gold nanoparticles to the rats did not show any hematological or biochemical abnormalities. The weight and normal architecture of various organs did not change compared with control. The current findings, while establishing the specific uptake of nanoparticles into cancerous cells, also demonstrates that the gellan gum-reduced gold nanoparticles are devoid of toxicity in animals following oral administration. Copyright (c) 2010 John Wiley \& Sons, Ltd.

}, keywords = {cell lines, cellular uptake, Gellan gum, gold nanoparticles, subacute toxicity}, issn = {0260-437X}, doi = {10.1002/jat.1595}, author = {Dhar, Sheetal and Mali, Vishal and Bodhankar, Subhash L. and Shiras, Anjali and Bhagavatula L. V. Prasad and Pokharkar, Varsha} } @article {42767, title = {Bioresponsive mesoporous silica nanoparticles for triggered drug release}, journal = {Journal of the Americal Chemical Society}, volume = {133}, year = {2011}, month = {DEC}, pages = {19582-19585}, doi = {10.1021/ja206998x}, author = {Singh, Neetu and Karambelkar, Amrita and Gu, Luo and Lin, Kevin and Miller, Jordan S. and Chen, Christopher S. and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article {42745, title = {Catalytic dehydroaromatization of n-alkanes by pincer-ligated iridium complexes}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {DEC}, pages = {167{\textendash}171}, abstract = {

Aromatic hydrocarbons are among the most important building blocks in the chemical industry. Benzene, toluene and xylenes are obtained from the high temperature thermolysis of alkanes. Higher alkylaromatics are generally derived from arene{\textendash}olefin coupling, which gives branched products{\textemdash}that is, secondary alkyl arenes{\textemdash}with olefins higher than ethylene. The dehydrogenation of acyclic alkanes to give alkylaromatics can be achieved using heterogeneous catalysts at high temperatures, but with low yields and low selectivity. We present here the first catalytic conversion of n-alkanes to alkylaromatics using homogeneous or molecular catalysts{\textemdash}specifically {\textquoteleft}pincer{\textquoteright}-ligated iridium complexes{\textemdash}and olefinic hydrogen acceptors. For example, the reaction of n-octane affords up to 86\% yield of aromatic product, primarily o-xylene and secondarily ethylbenzene. In the case of n-decane and n-dodecane, the resulting alkylarenes are exclusively unbranched (that is, n-alkyl-substituted), with selectivity for the corresponding o-(n-alkyl)toluene.

}, doi = {10.1038/nchem.946}, author = {Ahuja, Ritu and Punji, Benudhar and Findlater, Michael and Supplee, Carolyn and Schinski, William and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000288890800008, title = {Chemoenzymatic total synthesis of potent HIV RNase H inhibitor (-)-1,3,4,5-tetragalloylapiitol}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {2}, year = {2011}, month = {JAN}, pages = {173-177}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Starting from racemic dimethyl 2-acetoxy-3-methylenesuccinate, the chemoenzymatic facile total synthesis of (-)-1,3,4,5-tetragalloylapiitol has been demonstrated via an efficient lipase catalyzed resolution followed by a DIBAL reduction-double gallyolation, osmium tetroxide dihydroxylation-double gallyolation, and reductive global O-benzyl deprotection pathway. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.11.032}, author = {Batwal, Ramesh U. and Patel, Ramesh M. and N. P. Argade} } @article { ISI:000296204100007, title = {Chlorate ion mediated rutile to anatase reverse phase transformation in the TiO2 nanosystem}, journal = {Dalton Transactions}, volume = {40}, number = {43}, year = {2011}, month = {SEP}, pages = {11374-11377}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Rutile TiO2 nanoneedles (8 nm x 100 nm) synthesized at room temperature by anodization in perchloric acid (pH \< 1) are shown to undergo an interesting reverse phase transformation to anatase nanoparticles (8 nm) at 300 degrees C only if the chlorate ions are maintained in the ambient medium. When chlorate ions are removed by multiple washing, the rutile phase and the needle morphology are maintained. The mechanism of formation of the ion-stabilized solid and its thermal evolution is discussed.

}, issn = {1477-9226}, doi = {10.1039/c1dt11288k}, author = {Bhosale, Reshma and Hyam, Rajeshkumar S. and Dhanya, P. and Ogale, Satishchandra B.} } @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 {43255, title = {Comparative genomics of the pathogenic ciliate Ichthyophthirius multifiliis, its free-living relatives and a host species provide insights into adoption of a parasitic lifestyle and prospects for disease control}, journal = {Genome Biology}, volume = {12}, year = {2011}, month = {OCT}, pages = {Article Number: R100}, abstract = {Background: Ichthyophthirius multifiliis, commonly known as Ich, is a highly pathogenic ciliate responsible for {\textquoteright}white spot{\textquoteright}, a disease causing significant economic losses to the global aquaculture industry. Options for disease control are extremely limited, and Ich{\textquoteright}s obligate parasitic lifestyle makes experimental studies challenging. Unlike most well-studied protozoan parasites, Ich belongs to a phylum composed primarily of free-living members. Indeed, it is closely related to the model organism Tetrahymena thermophila. Genomic studies represent a promising strategy to reduce the impact of this disease and to understand the evolutionary transition to parasitism. Results: We report the sequencing, assembly and annotation of the Ich macronuclear genome. Compared with its free-living relative T. thermophila, the Ich genome is reduced approximately two-fold in length and gene density and three-fold in gene content. We analyzed in detail several gene classes with diverse functions in behavior, cellular function and host immunogenicity, including protein kinases, membrane transporters, proteases, surface antigens and cytoskeletal components and regulators. We also mapped by orthology Ich{\textquoteright}s metabolic pathways in comparison with other ciliates and a potential host organism, the zebrafish Danio rerio. Conclusions: Knowledge of the complete protein-coding and metabolic potential of Ich opens avenues for rational testing of therapeutic drugs that target functions essential to this parasite but not to its fish hosts. Also, a catalog of surface protein-encoding genes will facilitate development of more effective vaccines. The potential to use T. thermophila as a surrogate model offers promise toward controlling {\textquoteright}white spot{\textquoteright} disease and understanding the adaptation to a parasitic lifestyle.}, doi = {10.1186/gb-2011-12-10-r100}, author = {Coyne, Robert S. and Hannick, Linda and Shanmugam, Dhanasekaran and Hostetler, Jessica B. and Brami, Daniel and Joardar, Vinita S. and Johnson, Justin and Radune, Diana and Singh, Irtisha and Badger, Jonathan H. and Kumar, Ujjwal and Saier, Milton and Wang, Yufeng and Cai, Hong and Gu, Jianying and Mather, Michael W. and Vaidya, Akhil B. and Wilkes, David E. and Rajagopalan, Vidyalakshmi and Asai, David J. and Pearson, Chad G. and Findly, Robert C. and Dickerson, Harry W. and Wu, Martin and Martens, Cindy and Van de Peer, Yves and Roos, David S. and Cassidy-Hanley, Donna M. and Clark, Theodore G.} } @article {42538, title = {Competitive binding of Ba2+and Sr2+ to 18-crown-6 in a receptor with a 1-methoxyanthraquinone analogue as the other binding site}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {OCT}, pages = {4680{\textendash}4690}, abstract = {

Owing to their immense biological significance, development of sensors for the selective detection of alkaline earth metal ions has attracted vast research interest. In this article we have reported the synthesis, characterisation and ion binding studies of a new RuII-polypyridyl-crown-anthraquinone complex (5). Studies confirm selective binding of BaII, SrII and CaII ions, with Kmath image \> Kmath image \>\> Kmath image, over all other metal ions, to the crown ether moiety and not to the methoxy anthraquinone component, the latter being the second binding site available and known for its affinity towards alkaline earth metal ions from one of our previous reports.

}, doi = {10.1002/ejic.201100472}, author = {Banerjee, Tanmay and Suresh, Moorthy and Ghosh, Hirendra N. and Das, Amitava} } @article { ISI:000288045600024, title = {Composition-structure-property (Zn2+ and Ca2+ ion release) evaluation of Si-Na-Ca-Zn-Ce glasses: potential components for nerve guidance conduits}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {31}, number = {3}, year = {2011}, month = {APR}, pages = {669-676}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bioactive glasses have demonstrated tailored therapeutic ion release, primarily with respect to the augmentation of hard tissues. However, controlled degradation and release of therapeutic ions from biomaterials may also play an important role in soft tissue regeneration such as repair of peripheral nerve discontinuities. In this study, three silica based glasses (0.5SiO(2)-0.2CaO-0.13ZnO-XNa2O-(0.17-X) CeO2) where, (0.04 \< X \< 0.14) were synthesised and characterised. The local environment of the Si-29 isotope was probed for each glass using Si-29 MAS-NMR, whilst the thermal characteristics of each glass were examined using DTA. Following these analyses, ion release profiles for Ca2+ and Zn2+ were evaluated; an equivalent specific surface area of 1 m(2) of each glass powder was incubated (37 degrees C) in 10 ml of citric acid buffer and TRIS-HCl buffer solution (pH 3.0 and pH 7.4 respectively) for incubation periods of up to 30 days. The Zn2+ concentration of each filtrate was analysed using flame Atomic Absorption Spectroscopy (Varian AA240FS Fast Sequential AAS) and the Ca2+ concentration of each filtrate was determined using Inductively Coupled Plasma-Mass Spectrometer (Varian 820 ICP-MS). Results obtained from the Si-29 MAS-NMR spectra indicated Q(2) structures pervading the network. An analytical model was proposed to analyse the ion release profiles for each glass, and indicated heterogeneous dissolution of glass networks. The ion release data demonstrates that ion release in the range (19.26-3130 ppm) for Ca2+ and in the range (5.97-4904 ppm) for Zn2+ occurred. Release of such elements, at appropriate levels, from peripheral nerve guidance conduits may be advantageous with respect to the repair of peripheral nerve discontinuities. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Bioglass, Dissolution, Modelling}, issn = {0928-4931}, doi = {10.1016/j.msec.2010.12.016}, author = {Zhang, X. F. and Kehoe, S. and Adhi, S. K. and Ajithkumar, Thalasseril G. and Moane, S. and O{\textquoteright}Shea, H. and Boyd, D.} } @article { ISI:000289764000056, title = {Control of competing hydrogenation of phenylhydroxylamine to aniline in a single-step hydrogenation of nitrobenzene to p-aminophenol }, journal = {Industrial \& Engineering Chemistry Research}, volume = {50}, number = {9}, year = {2011}, month = {MAY}, pages = {5478-5484}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two steps involving catalytic hydrogenation of nitrobenzene to phenylhydroxylamine (PHA) in acid medium and its rearrangement to p-aminophenol (PAP) were studied separately in a batch reactor, using a well-characterized 3\% Pt/C catalyst. The first step of hydrogenation of nitrobenzene to PHA could be carried out at 303 K and a H(2) pressure of 0.69 MPa with complete conversion of nitrobenzene, while the achieved selectivity to PHA was higher than 90\% with some formation of aniline, even at lower temperature. The second step of PHA rearrangement to PAP could be achieved under a hydrogen atmosphere at elevated temperature of 353 K to give a maximum selectivity to PAP of 74\%.

}, issn = {0888-5885}, doi = {10.1021/ie102544a}, author = {Nadgeri, Jayprakash M. and Biradar, Narayan S. and Patil, Priyanka B. and Jadkar, Sachin T. and Garade, Ajit C. and Rode, Chandrashekhar V.} } @article { ISI:000291899200004, title = {Convenient and efficient protocol for the synthesis of acylals catalyzed by bronsted acidic ionic liquids under ultrasonic irradiation}, journal = {Ultrasonics Sonochemistry}, volume = {18}, number = {5}, year = {2011}, month = {SEP}, pages = {928-931}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The synthesis of acylals (1,1-diacetates) via the reactions of aldehydes with acetic anhydride was carried Out in 85-97\% yields at room temperature under ultrasound irradiation catalyzed by the Bronsted acidic ionic liquid [bmpy]HSO(4). This method provides several advantages, such as solvent-free conditions, operational simplicity, higher yields, and reduced environmental consequences. The ionic liquid was recovered and reused. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {1, 1-Butyl-3-methylpyridinium hydrogen sulfate, 1-Diacetates, Acylals, Ionic liquid, Solvent-free, Ultrasonic irradiation}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2011.03.022}, author = {Borikar, Sanjay P. and Daniel, Thomas} } @article {42714, title = {Cyclodiphosph(III)azane chemistry {\textendash} ylides from the reaction of [(RNH)P-N(t-Bu)]2 [R = t-Bu, i-Pr] with dimethyl maleate and chiral ansa-type derivatives from reaction of [ClP-N(t-Bu)]2 with a substituted BINOL}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {JUN}, pages = {374{\textendash}382}, abstract = {

Use of a simple inorganic ring system with the cyclodiphosph(III)azane skeleton [e.g. [(RNH)P-N(t-Bu)]2 [R = t-Bu (7), i-Pr (8)] to probe some of the intermediates proposed in phosphine mediated organic reactions is highlighted. Thus the reaction of 7{\textendash}8 with the allenylphosphine oxide Ph2P(O)C(Ph)double bond; length as m-dashCdouble bond; length as m-dashCH2 (9) affords the phosphinimines [(RNH)P(μ-N-t-Bu)2P(double bond; length as m-dashN-R)-C(double bond; length as m-dashCH2)CH(Ph)-P(O)Ph2] [R = t-Bu (10), i-Pr (11)], while a similar reaction of 7{\textendash}8 with dimethyl maleate (or dimethyl fumarate) affords the ylides [(RNH)P(μ-N-t-Bu)2P(NH-R)double bond; length as m-dashC(CO2Me)-CH2(CO2Me) [R = t-Bu (18), i-Pr (19)]. The implication of such reactions on phosphine mediated organic transformations including Morita{\textendash}Baylis{\textendash}Hillman reaction is mentioned. In a rather rare type of situation, an unusually long phosphoryl (Pdouble bond; length as m-dashO) bond [1.538 (5) {\r A}] as revealed the X-ray structure of {(R)-6,6'-(t-Bu)2-1,1'-(C10H5)2-2,2'-O2-}{P(O)(N-t-Bu)2-P(Se)} (27) is rationalized by means of crystallographic disorder in packing after comparing the data with that in the literature and {1,1'-(C10H6)2-2,2'-O2}{P(Se)(N-t-Bu)2-P(Se)} (29). X-ray structures of the new compounds 10{\textendash}11, 18{\textendash}19, 27 and 29 are discussed. Compound 10 crystallizes in the chiral space group Pca2(1) with (S)-chirality at the carbon center [{\textendash}C(double bond; length as m-dashCH2)CH(Ph)-P] suggesting a case of spontaneous resolution through crystallization.

}, doi = {10.1016/j.ica.2010.12.072}, author = {Swamy, K.C. Kumara and Gangadhararao, G. and Srinivas, Venu and Kumar, N. N. Bhuvan and Balaraman, Ekambaram and Chakravarty, Manab} } @article { ISI:000295275200035, title = {Design and in situ synthesis of a Cu-based porous framework featuring isolated double chain magnetic character}, journal = {Chemical Communications}, volume = {47}, number = {39}, year = {2011}, month = {SEP}, pages = {11008-11010}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Cu-based double chain MOF was synthesized in hydrothermal conditions using an in situ ligand formation method. This double chain MOF shows temperature dependent ferromagnetic (long range ordering) and antiferromagnetic (intra double chain) coupling. The magnetic behaviour originating from the individual double chain remains almost same even after structural collapse due to the removal of guest water molecules.

}, issn = {1359-7345}, doi = {10.1039/c1cc13418c}, author = {Dey, Chandan and Das, Raja and Saha, Binoy Krishna and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000296752300019, title = {Design, synthesis and biological evaluation of peptidyl-vinylaminophosphonates as novel cysteine protease inhibitors}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {19}, number = {23}, year = {2011}, month = {DEC}, pages = {7129-7135}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report herein, design and synthesis of vinylaminophosphonates, a novel class of compounds as possible cysteine protease inhibitors. The synthesis of vinylaminophosphonates has been accomplished employing Tsuji-Trost reaction as a key step. The synthesized compounds were assayed against papain, a model cysteine protease and some of our synthesized compounds showed IC50 values in the range of 30-54 mu M thereby suggesting that these chemical entities thus could constitute an interesting template for the design of potential novel protease inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Cysteine, Inhibitor design, Protease inhibitors, synthesis, Tsuji-Trost reaction, Vinylaminophosphonates}, issn = {0968-0896}, doi = {10.1016/j.bmc.2011.09.058}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C.} } @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 {42526, title = {Diamine derivative of a ruthenium(II)-polypyridyl complex for chemodosimetric detection of nitrite ion in aqueous solution}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {FEB}, pages = {115{\textendash}119}, abstract = {

Nitrite is quite an abundant anion in the environment. It, however, becomes toxic to human life, as well as aquatic animals when present above the permissible concentration level. We have reported here a Ru(II)-polypyridyl-based complex (1) for chemodosimetric detection of nitrite ion in aqueous solution. Formation of the new triazole based complex, generated by reaction of 1 and N2O3, is ascertained by comparing its properties with a presynthesised triazole complex.

}, doi = {10.1016/j.ica.2011.01.066}, author = {Ghosh, Amrita and Das, Priyadip and Saha, Sukdeb and Banerjee, Tanmay and Bhatt, Harshad B. and Das, Amitava} } @article { ISI: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:000292786700024, title = {Direct synthesis of well-ordered mesoporous Al-SBA-15 and its correlation with the catalytic activity}, journal = {Applied Catalysis A-General}, volume = {400}, number = {1-2}, year = {2011}, month = {JUN}, pages = {176-184}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The synthesis of Al-SBA-15 under milder acidic conditions were made through an adjusting the molar H(2)O/HCl ratio which indicate the formation of Si-O-Al linkages that lead to isomorphous substitution of Si(4+) by some Al(3+) ions. By adjusting the H(2)O/HCl molar ratio, Al gets incorporated into the lattice of SBA-15, which is evidenced by XRD. N(2) adsorption, TEM, (29)Si and (27)Al MAS NMR spectroscopic data. Aluminium incorporated SBA-15 samples retained both structural and textural properties of SBA-15. The (27)Al MAS NMR confirms that a large proportion of the Al is inserted into tetrahedral positions within the framework. The Al(3+) ions could assume a tetrahedral coordination and be part of the hexagonal structure of silica in Al-SBA-15. In the present study, we have examined the effectiveness of Al-SBA-15, as an acid catalyst for the esterification of acetic acid and in benzylation of anisole. The high activity of Al-20 sample in esterification reaction has been attributed to isolated, generally tetrahedrally coordinated, framework Al species. While in benzylation of anisole, the best result was achieved with Al-5 catalyst. The selectivity for benzylanisole increases and that for dibenzylether decreases with increase in the Si/Al ratio of Al-SBA-15. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Al-SBA-15, Benzylation of anisole, Esterification of acetic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.04.031}, author = {Bhange, Pallavi and Bhange, Deu S. and Pradhan, Sivaram and Ramaswamy, Veda} } @article { ISI:000296020200002, title = {Diversifying the structural architecture of synthetic oligomers: the hetero foldamer approach}, journal = {Chemical Communications}, volume = {47}, number = {42}, year = {2011}, month = {AUG}, pages = {11593-11611}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conformationally ordered synthetic oligomers, also called {\textquoteleft}{\textquoteleft}foldamers{\textquoteright}{\textquoteright}, have attracted considerable attention in recent years owing to their ability to mimic the structural architecture of biopolymers and also because of their potential applications in biomedical and material science fields. Until recently, the major focus in this area has been the development of oligomers featuring a single type of monomer building blocks. However, due to the enormous possibility of augmenting the conformational space available for oligomer design, the hetero foldamer approach has been introduced very recently. This feature article aims to describe foldamers with unique structural architectures, exclusively featuring heterogeneous backbones (hetero foldamers).

}, issn = {1359-7345}, doi = {10.1039/c1cc13313f}, author = {Roy, Arup and Prabhakaran, Panchami and Baruah, Pranjal Kumar and Sanjayan, Gangadhar J.} } @article { ISI:000294437300035, title = {Ecofriendly hydrogen production from abundant hydrogen sulfide using solar light-driven hierarchical nanostructured ZnIn2S4 photocatalyst}, journal = {Green Chemistry}, volume = {13}, number = {9}, year = {2011}, month = {JUL}, pages = {2500-2506}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

It is quite well-known that refineries are producing huge amount of H2S which has been used to produce sulphur and water using the well-known Claus process. This process is not an economically viable process, due to the high-cost chemical process and creates further acute environmental problems. Therefore, we have demonstrated the conversion of poisonous H2S into H-2 using an ecofriendly phocatalysis process which is a green unconventional energy source. We have investigated ecofriendly nanostructured ZnIn2S4 photocatalyst to produce hydrogen from H2S using solar light. We also demonstrate the controlled synthesis of hierarchical nanostructured ZnIn2S4 using a facile hydrothermal method. The morphologies obtained have been greatly influenced by the presence of triethylamine (TEA) with various concentrations during the reaction. Surprisingly, a highly crystalline hexagonal layer structured ZnIn2S4 was obtained instead of cubic spinel. The hierarchical nanostructure, i.e. marigold flower-like morphology, was obtained without any surfactant. The thin and transparent petals self-assembled to form the unique nanostructured marigold flower. The highly crystalline puffy marigold flowers and nanoplates/nanostrips were obtained using TEA-assisted hydrothermal synthesis. Optical study shows the band gap in the range of 2.34-2.48 eV. Considering the band gap in the visible region, ZnIn2S4 is used as photocatalyst for hydrogen production from hydrogen sulphide under solar light which is hitherto unattempted. The constant photocatalytic activity of hydrogen evolution, i.e. 5287 mu mol h(-1), was obtained using such hierarchical nanostructured ZnIn2S4 under visible light irradiation. It is noteworthy that the H-2 evolution rate obtained is much higher compared to earlier reported photocatalysts. Considering the significance of morphologies for photocatalytic application, the formation mechanism has also been furnished. The unique hierarchical nanostructured ZnIn2S4 ternary semiconductor having hexagonal layer will have potential applications in solar cells, LEDs, charge storage, electrochemical recording, thermoelectricity and other prospective electronic and optical devices.

}, issn = {1463-9262}, doi = {10.1039/c1gc15515f}, author = {Chaudhari, Nilima S. and Bhirud, Ashwini P. and Sonawane, Ravindra S. and Nikam, Latesh K. and Warule, Sambhaji S. and Rane, Vilas H. and Kale, Bharat B.} } @article { ISI:000292354600065, title = {Effect of aluminium doping on structural and gas sensing properties of zinc oxide thin films deposited by spray pyrolysis}, journal = {Sensors and Actuators B-Chemical}, volume = {156}, number = {2}, year = {2011}, month = {AUG}, pages = {943-948}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A facile spray pyrolysis route is used to deposit aluminium doped ZnO (AZO) thin films on to the glass substrates. It is observed that on aluminium doping the particle size of ZnO reduces significantly; moreover, uniformity of particle also gets enhanced. Their XRD study reveals that intensity ratio of crystal planes depend on the aluminium doping concentration. The gas response studies of; similar to 800 nm thick Al-doped ZnO films at different operating temperatures show that 5 at\% Al-doped ZnO thin film exhibits highest response towards H(2)S gas at 200 degrees C. The results suggest that the gas response strongly depends on the particle size and aluminium doping in the ZnO. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Aluminium, H(2)S sensor, Spray pyrolysis, thin film, Zinc oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2011.03.010}, author = {Badadhe, Satish S. and Mulla, Imtiaz S.} } @article {42724, title = {Efficient hydrogenation of organic carbonates, carbamates, and formates indicates alternative routes to methanol based on CO2 and CO}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {JUL}, pages = {609{\textendash}614}, abstract = {

Catalytic hydrogenation of organic carbonates, carbamates and formates is of significant interest both conceptually and practically, because these compounds can be produced from CO2 and CO, and their mild hydrogenation can provide alternative, mild approaches to the indirect hydrogenation of CO2 and CO to methanol, an important fuel and synthetic building block. Here, we report for the first time catalytic hydrogenation of organic carbonates to alcohols, and carbamates to alcohols and amines. Unprecedented homogeneously catalysed hydrogenation of organic formates to methanol has also been accomplished. The reactions are efficiently catalysed by dearomatized PNN Ru(II) pincer complexes derived from pyridine- and bipyridine-based tridentate ligands. These atom-economical reactions proceed under neutral, homogeneous conditions, at mild temperatures and under mild hydrogen pressures, and can operate in the absence of solvent with no generation of waste, representing the ultimate {\textquoteleft}green{\textquoteright} reactions. A possible mechanism involves metal{\textendash}ligand cooperation by aromatization{\textendash}dearomatization of the heteroaromatic pincer core.

}, doi = {10.1038/nchem.1089}, author = {Balaraman, Ekambaram and Gunanathan, Chidambaram and Zhang, Jing and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000292983400015, title = {Efficient synthesis of benzodiazepinyl phosphonates as clostripain inhibitors via FeCl3 catalyzed four-component reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {15}, year = {2011}, month = {OCT}, pages = {5407-5413}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel one-pot route for the synthesis of benzodiazepinyl phosphonates (BDPs) has been achieved. FeCl3 efficiently catalyzed four-component condensation of diamines, acetone and phosphites in the presence of molecular sieves to furnish BDPs as novel chemical entities with good yield. The synthesized BDPs have shown significant protease inhibition activity against clostripain, a disease model for gas gangrene, suggesting that these novel chemical entities could be further explored as cysteine protease inhibitors.

}, issn = {1477-0520}, doi = {10.1039/c0ob01102a}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Raut, Dnyaneshwar S. and Mhaindarkar, Vaibhav P. and Khan, Mohammad Islam} } @article { ISI:000295817100054, title = {Efficient synthesis of benzofuranones: N-heterocyclic carbene (NHC)/base-catalyzed hydroacylation-stetter-rearrangement cascade}, journal = {Organic Letters}, volume = {13}, number = {20}, year = {2011}, month = {OCT}, pages = {5624-5627}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A N-heterocyclic carbene/base-catalyzed cascade reaction leading to the formation of functionalized benzofuranones is reported. The reaction proceeds via an intramolecular hydroacylation of unactivated alkynes followed by an intermolecular Stetter reaction and a base-catalyzed chromanone to benzofuranone rearrangement.

}, issn = {1523-7060}, doi = {10.1021/ol2023483}, author = {Padmanaban, Mohan and Biju, Akkattu T. and Glorius, Frank} } @article {42718, title = {Electron-rich PNP- and PNN-type Ru(II) hydrido-borohydride complexes. synthesis, structure and catalytic activity towards dehydrogenation of alcohols and hydrogenation of esters}, journal = {Organometallics}, volume = {30}, year = {2011}, month = {OCT}, pages = {5716{\textendash}5724}, abstract = {

Electron-rich PNP- and PNN-type ruthenium(II) hydrido borohydride pincer complexes, [RuH(BH4)(tBu-PNP)] (tBu-PNP = (2,6-bis(di-tert-butylphosphinomethyl)pyridine) (5) and [RuH(BH4)(tBu-PNN)] (tBu-PNN = 2-di-tert-butylphosphinomethyl-6-diethylaminomethylpyridine) (6), were prepared from their corresponding N2-bridged dinuclear Ru(II) complexes [(tBu-PNP)RuCl2]2(μ-N2) (3) and [(tBu-PNN)RuCl2]2(μ-N2) (4), respectively. The X-ray structure of 5 reveals a BH4{\textendash} anion η2 coordinated to ruthenium through two bridging hydrides. A variable-temperature 1H NMR study of 6 exhibits interesting fluxional behavior of the BH4{\textendash} ligand. Similarly, the Ru(II) hydrido borohydride complex 9, in which the BH4{\textendash} moiety is coordinated in a η1 bonding mode, was obtained by reaction of [RuCl2(PPh3)(iPr-PNP)] (iPr-PNP = 2,6-bis(diisopropylphosphinomethyl)pyridine) (8) with two equivalents of NaBH4 at room temperature. The hydrido borohydride pincer complexes 5, 6, and 9 catalyze the acceptorless dehydrogenative coupling of primary alcohols to esters and the dehydrogenation of secondary alcohols to the corresponding ketones, accompanied by evolution of hydrogen gas. The reactivity follows the order 6 \> 9 \> 5. With the hydrido borohydride complex 6 as catalyst, high yields (up to 98\%) and high turnover numbers (TON \~{}1000) were obtained in the dehydrogenation of primary alcohols under mild and neutral conditions. In addition, 6 effectively catalyzes the hydrogenation of nonactivated aromatic and aliphatic esters to the corresponding alcohols with TON \~{}200 under a relatively mild pressure of dihydrogen and neutral and homogeneous conditions. Thus, an efficient homogeneous catalytic system for the dehydrogenation{\textendash}hydrogenation reactions of alcohols is developed, which is relevant to the current interest in hydrogen storage.

}, doi = {10.1021/om200595m}, author = {Zhang, Jing and Balaraman, Ekambaram and Leitus, Gregory and Milstein, David} } @article { ISI:000295921500010, title = {Employing homoenolates generated by NHC catalysis in carbon-carbon bond-forming reactions: state of the art}, journal = {Chemical Society Reviews}, volume = {40}, number = {11}, year = {2011}, month = {JUL}, pages = {5336-5346}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Homoenolate is a reactive intermediate that possesses an anionic or nucleophilic carbon beta to a carbonyl group or its synthetic equivalent. The recent discovery that homoenolates can be generated from alpha,beta-unsaturated aldehydes via N-Heterocyclic Carbene (NHC) catalysis has led to the development of a number of new reactions. A majority of such reactions include the use of carbon-based electrophiles, such as aldehydes, imines, enones, dienones etc. resulting in the formation of a variety of annulated as well as acyclic products. The easy availability of chiral NHCs has allowed the development of very efficient enantioselective variants of these reactions also. The tolerance showed by NHCs towards magnesium and titanium based Lewis acids has been exploited in the invention of cooperative catalytic processes. This tutorial review focuses on these and other types of homoenolate reactions reported recently, and in the process, updates the previous account published in 2008 in this journal.

}, issn = {0306-0012}, doi = {10.1039/c1cs15139h}, author = {Nair, Vijay and Menon, Rajeev S. and Biju, Akkattu T. and Sinu, C. R. and Paul, Rony Rajan and Jose, Anu and Sreekumar, Vellalath} } @article { ISI:000297732400016, title = {Enantioselective total syntheses of (-)-isonitramine, (-)-sibirine, and (+)-nitramine by ring-closing metathesis}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2011}, month = {DEC}, pages = {7372-7377}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Concise enantioselective total syntheses of naturally occurring 2-azaspiro[5,5]undecan-7-ol (Nitraria) alkaloids viz. ()-isonitramine, ()-sibirine, and (+)-nitramine are accomplished in 42, 38, and 25?\% overall yield, respectively, in six steps starting from enantiomerically pure (S)-methyl 3-allyl-2-oxo-1,2,3,6-tetrahydropyridine-3-carboxylate (\>99?\%?ee). The key feature of the syntheses involves diastereoselective HosomiSakurai allylation followed by ring-closing metathesis.

}, keywords = {Alk-aloids, Allylation, Amino alcohols, Metathesis, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201101256}, author = {Pandey, Ganesh and Kumara, Prasanna C. and Burugu, Shiva Kumar and Puranik, Vedavati G.} } @article { ISI:000288848900007, title = {Enantiospecific route to (+)-(1R, 3S)-cis-chrysanthemic acid from (-)-D-pantolactone(1)}, journal = {Synthesis-Stuttgart}, number = {7}, year = {2011}, month = {APR}, pages = {1067-1070}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

In this paper, a novel route for the synthesis of (+)-(1R,3S)-cis-chrysanthemic acid is described. The use of readily available (-)-D-pantolactone as a starting point, application of ring-closing metathesis to form the cyclopentene intermediate, and Haller-Bauer/Grob-type fragmentation to form the target compound are the highlights of the present synthesis.

}, keywords = {alkenes, Metathesis, ring closure, stereoselective synthesis, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/s-0030-1258451}, author = {Hajare, Atul K. and Datrange, Laxmikant S. and Murthy, Y. L. N. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000286732600010, title = {Enhanced DNA binding of 9-omega-amino alkyl ether analogs from the plant alkaloid berberine}, journal = {DNA and Cell Biology}, volume = {30}, number = {2}, year = {2011}, month = {FEB}, pages = {123-133}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

To understand the structure-activity relationship of isoquinoline alkaloids, absorption, fluorescence, circular dichroism, and thermodynamics were employed to study the interaction of five C-9-omega-amino alkyl ether analogs from the plant alkaloid berberine with double-stranded calf thymus DNA. The C-9 derivatization resulted in dramatic enhancements in the fluorescence emission of these compounds. The most remarkable changes in the spectral and binding properties were in the BC4 and BC5 derivatives. Interactions of these analogs, which have an additional recognition motif with DNA, were evaluated through different spectroscopic and calorimetric titration experiments. The analogs remarkably enhanced the DNA binding affinity and the same was directly dependent on the alkyl chain length. The analog with six alkyl chains enhanced the DNA binding affinity by about 33 times compared with berberine. The binding became more entropically driven with increasing chain length. These results may be of potential use in the design of berberine derivatives and understanding of the structure-activity relationship for improved therapeutic applications.

}, issn = {1044-5498}, doi = {10.1089/dna.2010.1109}, author = {Islam, Md Maidul and Basu, Anirban and Hossain, Maidul and Sureshkumar, Gopalsamy and Hotha, Srinivas and Kumar, Gopinatha Suresh} } @article { ISI:000291832600007, title = {Enhanced DSSC performance with high surface area thin anatase TiO2 nanoleaves}, journal = {Solar Energy}, volume = {85}, number = {6, SI}, year = {2011}, month = {JUN}, pages = {1213-1219}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Thin anatase TiO2 nanoleaves (NLs) with high surface area (similar to 93 m(2)/g) are synthesized by hydrothermal route and dye-sensitized solar cells (DSSC) made using such NLs are compared with those made with hydro-thermally synthesized TiO2 nanoparticles and the Degussa P25 powder. The NLs-based DSSCs show increment of 16\% and 24\% in the total conversion efficiency over the cells made with NPs and P25 respectively. Interestingly, the highest increment in the conversion efficiency (similar to 35\%) is achieved for cells made using a 50:50 (wt/wt) mixture of NLs and NPs. In this case the dye loading is found to be \>50\% higher than the case of NP films. Moreover the DC resistance of diffusion of I-3(-) in electrolyte (as revealed by the electrochemical impedance spectroscopy) is substantially lower than the NP film case, other cell parameters being nominally comparable. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Dye-sensitized solar cells, Electrochemical impedance spectroscopy, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2011.02.029}, author = {Dhas, Vivek V. and Muduli, Subas and Agarkar, Shruti A. and Rana, Abhimanyu and Hannoyer, Beatrice and Banerjee, Rahul and Ogale, Satishchandra B.} } @article { ISI:000290732000044, title = {Enhanced electrocatalytic performance of functionalized carbon nanotube electrodes for oxygen reduction in proton exchange membrane fuel cells}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {21}, year = {2011}, month = {APR}, pages = {10312-10317}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although nitrogen doped CNTs (N-CNTs) are considered as a promising alternative to platinized carbon for the oxygen reduction reaction (ORR) in polymer electrolyte membrane fuel cells (PEMFCs), the origin of the enhanced ORR activity with N-CNTs is not clear at present. Among several plausible reasons, the exposure of edge plane and creation of impurity band/surface states near the Fermi level are considered as major causes behind the catalytic activity. However, CNTs without nitrogen doping are not known to catalyze the ORR. In this work, we study the ORR activity of functionalized carbon nanotubes with different functional groups, such as sulfonic acid and phosphonic acid, in order to understand the role of surface functionalities in catalyzing the reaction. Functionalized CNTs show significantly enhanced activity towards the ORR, while CNTs without such surface functional groups do not reveal any such special ORR activity. Linear sweep voltammetry experiments with different rotation rates show diffusion controlled limiting current values for functionalized CNTs, and the {\textquoteleft}n{\textquoteright} values derived from Koutecky-Levich plots are 3.3 and 1.7 for S-MWCNTs and P-MWCNTs, respectively. This work demonstrates the ORR activity of functionalized MWCNTs, which opens up new strategies for electrocatalyst design in PEMFCs.

}, issn = {1463-9076}, doi = {10.1039/c0cp02853c}, author = {Kannan, Ramaiyan and Bipinlal, Unni and Kurungot, Sreekumar and Pillai, Vijayamohanan K.} } @article { ISI:000287924700049, title = {Enhanced electrocatalytic performance of interconnected Rh nano-chains towards formic acid oxidation}, journal = {Energy \& Environmental Science}, volume = {4}, number = {3}, year = {2011}, month = {MAR}, pages = {1029-1036}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chain-like assembly of rhodium nanoparticles (5-7 nm mean diameter) has been synthesized from rhodium chloride with the help of polydentate molecules like tartaric and ascorbic acids (1 : 3 in mM scale) as capping agents at room temperature. Subsequent characterization using transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy reveals a unique inter-connected network like features, while their electrochemical behavior using cyclic voltammetry and current-time transient suggests potential applications as electrocatalysts in fuel cells. A significant negative shift in the onset potential as well as higher anodic peak current density for formic acid oxidation on Rh-tartaric acid (Rh-TA) as compared to that of bulk Rh metal confirms their higher electrocatalytic activity. Interestingly, the enhancement factor (R) with respect to that of bulk metallic Rh towards formic acid oxidation ranges up to 2000\% for Rh-TA and 1200\% for Rh-AA (Rh-ascorbic acid) respectively. The composition of Rh nano-chains has been further analyzed with thermogravimetry and Fourier transform infra-red spectroscopy to demonstrate the importance of controlling the chain topology using polyfunctional organic molecules. These findings open up new possibilities for tailoring nanostructured electrodes with potential benefits since the development of a better electrocatalysts for many fuel cell reactions continues to be an important challenge.

}, issn = {1754-5692}, doi = {10.1039/c0ee00219d}, author = {Sathe, Bhaskar R. and Balan, Beena K. and Pillai, Vijayamohanan K.} } @article { ISI:000294875200040, title = {Enhanced electron transport through template-derived pore channels in dye-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {37}, year = {2011}, month = {SEP}, pages = {18342-18347}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Dye-sensitized solar cells use porous nanoparticle TiO(2) coating as their photoanode. To obtain effective dye adsorption and better electrolyte permeation in the TiO(2) coating, the porosity structure must be fully, three-dimensionally interconnected. Templated processing offers the advantage of preparing TiO(2) photoanodes in controlled shape and interconnection to the porosity structures that result, including the creation of dual size scale porosity in some cases. In the present work, an emulsion templating method was employed to obtain the dual porosity in the titania coating. We have studied the effect of the enhanced permeation of the electrolyte provided by these interconnected pore channels using electrochemical impedance spectroscopy. The change in internal resistances of the dye-sensitized solar cell during operation is correlated with the microstructural features using scanning electron microscopy, mercury porosimetry and I-V characterization.

}, issn = {1932-7447}, doi = {10.1021/jp204974d}, author = {Phadke, Sarika and Du Pasquier, Aurelien and Birnie, Dunbar P.} } @article { ISI:000287281900003, title = {Esterification of levulinic acid to n-butyl levulinate over heteropolyacid supported on acid-treated clay}, journal = {Journal of Natural Gas Chemistry}, volume = {20}, number = {1}, year = {2011}, month = {JAN}, pages = {18-24}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Levulinic acid has been identified as a promising green, biomass-derived platform chemical. n-Butyl levulinate is used as an important intermediate having diverse applications. The present work focuses on the synthesis of n-butyl levulinate by esterification of levulinic acid with n-butanol using heteropolyacid (HPA) supported on acid-treated clay montmorillonite (K10). 20\% (w/w) dodecatungestophosphoric acid (DTPA) supported on K10 was found to be the most efficient catalyst with 97\% levulinic acid conversion and 100\% selectivity towards n-butyl levulinate. Effects of various process parameters were studied to examine the efficacy of 20\% (w/w) DTPA/K10 for optimization of the activity.

}, keywords = {dodectungestophosphoric acid, K10, levulinic acid, n-butanol, n-Butyl levulinate}, issn = {1003-9953}, doi = {10.1016/S1003-9953(10)60147-8}, author = {Dharne, S. and Bokade, Vijay V.} } @article { ISI:000294359100090, title = {Evidence of lateral heat transfer during laser assisted atom probe tomography analysis of large band gap materials}, journal = {Applied Physics Letters}, volume = {99}, number = {8}, year = {2011}, month = {AUG}, pages = {Article No. 084101}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Investigation of wustite (FeO), iron (Fe), and silicon (Si) specimens by infrared laser assisted three dimensional atom probe tomography shows evidence of confined surface absorption of the laser energy as the mechanism of laser assisted field evaporation for high band gap materials. The absorption region is shown to be located on the laser illumination side, close to the specimen apex. A simple model based on thermal diffusivity and spatial extent of the absorption region is derived and applied to the experimental results. The values of thermal diffusivity thus obtained are in good agreement with the published data. (C) 2011 American Institute of Physics. [doi:10.1063/1.3622647]

}, issn = {0003-6951}, doi = {10.1063/1.3622647}, author = {Bachhav, Mukesh N. and Danoix, R. and Vurpillot, F. and Hannoyer, Beatrice and Ogale, Satishchandra B. and Danoix, F.} } @article { ISI:000296390600030, title = {Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {44}, year = {2011}, month = {OCT}, pages = {17737-17745}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two isostructural, three dimensional, interpenetrated, amino (-NH2) functionalized Metal Organic Frameworks [Cd(ANIC)(2)] (Cd-ANIC-1) and [Co(ANIC)(2)] (Co-ANIC-1) with amine-lined pores have been reported. The framework adopts dia topology with interpenetration. Cd-ANIC-1 and Co-ANIC-1 show high CO2 (273 K) and H-2 (77 K) uptake due to the presence of free -NH2 groups and framework interpenetration. The effect of interpenetration and amino functionalization on gas uptake properties of MOFs has been analysed experimentally and computationally, in the isostructural MOFs Cd-ANIC-1 and Co-ANIC-1.

}, issn = {0959-9428}, doi = {10.1039/c1jm13762j}, author = {Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article {42452, title = {Extending nhc-catalysis: reaction of aldehydes with unconventional reaction partners}, journal = {Accounts of Chemical Research}, volume = {44}, year = {2011}, month = {JUL}, pages = {1182{\textendash}1195}, abstract = {

Transition metal catalysis is a powerful means of effecting organic reactions, but it has some inherent drawbacks, such as the cost of the catalyst and the toxicity of the metals. Organocatalysis represents an attractive alternative and, in some cases, offers transformations unparalleled in metal catalysis. Unique transformations are a particular hallmark of N-heterocyclic carbene (NHC) organocatalysis, a versatile method for which a number of modes of action are known. The NHC-catalyzed umpolung (that is, the inversion of polarity) of electrophilic aldehydes, through formation of the nucleophilic Breslow intermediate, is probably the most important mode of action. In this Account, we discuss the reaction of Breslow intermediates with unconventional reaction partners.

}, doi = {10.1021/ar2000716}, author = {Biju, Akkattu T. and Kuhl, Nadine and Glorius, Frank} } @article { ISI:000286852900002, title = {Extrudate swell of linear and branched polyethylenes: ALE simulations and comparison with experiments}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {166}, number = {1-2}, year = {2011}, month = {JAN}, pages = {12-24}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Extrudate swell is a common phenomenon observed in the polymer extrusion industry. Accurate prediction of the dimensions of an extrudate is important for appropriate design of dies for profile extrusion applications. Prediction of extrudate swell has been challenging due to (i) difficulties associated with accurate representation of the constitutive behavior of polymer melts, and (ii) difficulties associated with the simulation of free surfaces, which requires special techniques in the traditionally used Eulerian framework. In a previous work we had argued that an Arbitrary Lagrangian Eulerian (ALE) based finite element formulation may have advantages in simulating free surface deformations such as in extrudate swell. In the present work we reinforce this argument by comparing our ALE simulations with experimental data on the extrudate swell of commercial grades of linear polyethylene (LLDPE) and branched polyethylene (LOPE). Rheological behavior of the polymers was characterized in shear and uniaxial extensional deformations, and the data was modeled using either the Phan-Thien Tanner (PTT) model or the eXtended Pom-Pom (XPP) model. Additionally, flow birefringence and pressure drop measurements were done using a 10:1 contraction-expansion (CE) slit geometry in a MultiPass Rheometer. Simulated pressure drop and contours of the principal stress difference were compared with experimental data and were found to match well. This provided an independent test for the accuracy of the ALE code and the constitutive equations for simulating a processing-like flow. The polymers were extruded from long (L/D=30) and short (L/D=10) capillaries dies at 190 degrees C. ALE simulations were performed for the same extrusion conditions and the simulated extrudate swell showed good agreement with the experimental data. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

}, keywords = {ALE-FEM, extrudate swell, Flow birefringence, MultiPass Rheometer, PSD, PTT, XPP}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2010.10.001}, author = {Ganvir, Vivek and Gautham, Basavarsu P. and Pol, Harshawardhan and Bhamla, M. Saad and Sclesi, Lino and Thaokar, Rochish and Lele, Ashish K. and Mackley, Malcolm} } @article { ISI:000293464100028, title = {Fe(III) complex of biuret-amide based macrocyclic ligand as peroxidase enzyme mimic}, journal = {Chemical Communications}, volume = {47}, number = {28}, year = {2011}, month = {JUN}, pages = {8016-8018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An Fe(III) complex of a biuret-amide based macrocyclic ligand that exhibits both excellent reactivity for the activation of H(2)O(2) and high stability, especially at low pH and high ionic strength, is reported.

}, issn = {1359-7345}, doi = {10.1039/c1cc12686e}, author = {Panda, Chakadola and Ghosh, Munmun and Panda, Tamas and Banerjee, Rahul and Sen Gupta, Sayam} } @article { ISI:000299031600049, title = {Ferroelectric and electrical characterization of multiferroic BiFeO3 at the single nanoparticle level}, journal = {Applied Physics Letters}, volume = {99}, number = {25}, year = {2011}, month = {DEC}, pages = {Article No. 252905}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Ferroelectric BiFeO3 (BFO) nanoparticles deposited on epitaxial substrates of SrRuO3 (SRO) and La1-xSrxMnO3 (LSMO) were studied using band excitation piezoresponse spectroscopy (BEPS), piezoresponse force microscopy (PFM), and ferromagnetic resonance (FMR). BEPS confirms that the nanoparticles are ferroelectric in nature. Switching behavior of nanoparticle clusters were studied and showed evidence for inhomogeneous switching. The dimensionality of domains within nanoparticles was found to be fractal in nature, with a dimensionality constant of similar to 1.4, on par with ferroelectric BFO thin-films under 100 nm in thickness. Ferromagnetic resonance studies indicate BFO nanoparticles only weakly affect the magnetic response of LSMO. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3671392]

}, issn = {0003-6951}, doi = {10.1063/1.3671392}, author = {Vasudevan, R. K. and Bogle, Kashinath A. and Kumar, A. and Jesse, S. and Magaraggia, R. and Stamps, R. and Ogale, Satishchandra B. and Potdar, H. S. and Nagarajan, V.} } @article { ISI:000290015600029, title = {Field emission studies of silver nanoparticles synthesized by electron cyclotron resonance plasma}, journal = {Applied Surface Science}, volume = {257}, number = {16}, year = {2011}, month = {JUN}, pages = {7184-7189}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Field emission has been studied for silver nanoparticles (25-200 nm), deposited within a cylindrical silver target in an electron cyclotron resonance (ECR) plasma. Particle size distribution was controlled by optimum biasing voltages between the chamber and the target. Presence of non-oxidized silver was confirmed from the X-Ray diffraction analysis; however, thin protective layer of oxide was identified from the selective area electron diffraction pattern obtained with transmission electron microscopy. The silver nanoparticles were seen to exhibit hilly pointed like structures when viewed under the atomic force microscopy (AFM). The emissive properties of these particles were investigated by field emission microscopy. It is found that this technique of deposition is ideal for formation of nanoparticles films on different substrate geometries with size controllability as well as its application to emission devices. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Cold plasma, field emission, Nanoparticles, thin film}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.03.088}, author = {Purohit, Vishwas and Mazumder, Baishakhi and Bhise, Ashok B. and Poddar, Pankaj and Joag, Dilip S. and Bhoraskar, S. V.} } @article { ISI:000290297800015, title = {First total synthesis of 5-hydroxy-3-methyl-4-propylsulfanyl-5H-furan-2-one: a cancer chemopreventive agent}, journal = {Synthesis-Stuttgart}, number = {10}, year = {2011}, month = {MAY}, pages = {1595-1598}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The first total synthesis of 5-hydroxy-3-methyl-4-propylsulfanyl-5H-furan-2-one, a newly discovered natural product with anticancer property is described by two different routes. A sequence involving an incorporation of a methyl group via a Gilman reagent and a chemoselective reduction of a cyclic anhydride functionality are the key steps. The methods proposed start from easily available starting materials and allow ready preparation of the final compound in good overall yield.

}, keywords = {Allium cepa, chemopreventive, Gilman reagent, selective, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1260004}, author = {Borikar, Sanjay P. and Paul, Vincent and Puranik, Vedavati G. and Sathe, Vilas T. and Lagunas-Rivera, Selene and Ordonez, Mario} } @article { ISI:000288576700003, title = {Fluorescence resonance energy transfer from tryptophan to folic acid in micellar media and deionised water}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {103}, number = {1}, year = {2011}, month = {APR}, pages = {16-21}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The fluorescence resonance energy transfer (FRET) from tryptophan (Trp) to folic acid (FA) in aqueous sodiumdodecyl sulphate, cetyltrimethyl ammonium bromide, and Brij-35 as well as deionised water was investigated using steady state and time resolved fluorescence techniques. The data obtained from steady state fluorescence spectral studies and time resolved measurement indicated that the FRET from Trp to FA occurred most effectively in aqueous sodium dodecyl sulphate micellar solutions. The distance between Trp and FA were evaluated. Binding constant, number of binding sites and thermodynamic parameters were determined for Trp-FA interactions in deionised water. The values of the thermodynamic parameters suggest that the hydrophobic forces and hydrogen bonding are the key interacting forces between Trp-FA interaction. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Fluorescence quenching, Fluorescence resonance energy transfer (FRET), Folic acid, Foster theory, Stern-Volmer plot, Tryptophan}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2011.01.006}, author = {Mote, U. S. and Patil, S. R. and Bhosale, Siddharth H. and Han, Sung-Hwan and Kolekar, G. B.} } @article { ISI:000291323000062, title = {Fractal impeller for stirred tank reactors}, journal = {Industrial \& Engineering Chemistry Research}, volume = {50}, number = {12}, year = {2011}, month = {JUN}, pages = {7667-7676}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tank reactors are used for variety of applications at different scales of operation. The conventional impellers tend to develop regions having nonuniform energy dissipation rates in the stirred reactor. In this work, we propose a novel fractal impeller, which helps in reducing such nonuniformities and help develop a uniform randomness throughout the reactor. The impeller geometry is discussed in detail. Experimental measurements of the power consumption, mixing time, suspension quality, and the ability for gas dispersion were carried out, and the performance is compared with the conventional impellers. The impeller is seen to have a low power number, and it can generate a uniform suspension of particles even at relatively lower impeller speeds and can efficiently disperse gas into liquid to yield relatively higher gas hold-up values. The Fourier analysis of the power consumption time series data indicates that no specific prominent frequency events exist in the reactor, and the spectrum showed several frequency events to exist in the reactor with almost identical prominence.

}, issn = {0888-5885}, doi = {10.1021/ie200301y}, author = {Kulkarni, Amol A. and Jha, Neha and Singh, Abhishek and Bhatnagar, Sumit and Kulkarni, Bhaskar D.} } @article { ISI:000288784400025, title = {Growth of aligned ZnO nanorods array on ITO for dye sensitized solar cell}, journal = {Current Applied Physics}, volume = {11}, number = {1, 1, SI}, year = {2011}, note = {International Conference on Electronic Materials (IUMRS-ICEM), Seoul, SOUTH KOREA, AUG 22-27, 2010}, month = {JAN}, pages = {S113-S116}, publisher = {Int Union Mat Res Soc (IUMRS)}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aligned ZnO films of nanorods arrays were grown on Indium doped Tin oxide (ITO) glass substrate for the Dye Sensitized Solar Cells (DSSCs) applications. Two-step approach was employed for the deposition, which offers advantages such as excellent surface adhesion, large area deposition, high reproducibility and yield. Structural characterization using X-ray diffraction (XRD) shows a preferred c-axis (002) oriented growth. Scanning Electron Microscopy (SEM) images reveals uniformly distributed hexagonal ZnO nanorods with average diameter varying from 80 to 250 nm. Average growth rate of the films was estimated using Surface Profilometer which was found to be similar to 1 mu m/h. Optical characterizations were carried out using Photo-spectrometer and Raman spectroscopy. The DSSCs using these ZnO films of nanorods array as photo-electrodes show conversion efficiency ranging from 0.24 to -0.71 \%, the maximum efficiency was obtained for films deposited for time duration 8 h. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Aligned ZnO nanorod growth, Dye sensitized solar cell, Open aqueous solution deposition}, issn = {1567-1739}, doi = {10.1016/j.cap.2010.11.111}, author = {Yengantiwar, Ashish and Sharma, Ramakant and Game, Onkar S. and Banpurkar, Arun G.} } @article { ISI:000298910800008, title = {Growth of hydrothermally stable meso-porous silica structure interconnected around micro-porous zeolite crystals}, journal = {Materials Characterization}, volume = {62}, number = {12}, year = {2011}, month = {DEC}, pages = {1166-1172}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

The growth of hydrothermally stable ordered meso-porous silica with M41S type structure interconnected around zeolite crystals was achieved from seeds normally nucleating the crystallization of micro-porous zeolite. The solid state NMR and FT-IR showed species like Si(OSi)(3)OH and Si(OSi)(2)(OH)(2) (or Q(3) and Q(2) sites, respectively) are formed during first hydrothermal treatment with surfactant and NaOH. These species and surface silanol group of zeolite crystal condense to give meso-porous silica structure interconnected around zeolite crystal during re-crystallization at lower pH. Resulting meso-micro-porous hybrid material is found to be highly active, selective and stable in the synthesis of 2-(phenylamino) ethanol from aniline and ethylene carbonate compare to parent ZSM-5 and pure MCM-41. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Hydrothermal stability, Interconnected meso-porous silica, Meso-micro hybrid material, Synthesis of amino alcohol}, issn = {1044-5803}, doi = {10.1016/j.matchar.2011.09.002}, author = {Kinage, Anil K. and Prashar, Atul K. and Berlier, Gloria and Chaturvedi, Rajiv K.} } @article { ISI:000290127500055, title = {Halogen bonding in 2,5-dichloro-1,4-benzoquinone: insights from experimental and theoretical charge density analysis}, journal = {Crystal Growth \& Design}, volume = {11}, number = {5}, year = {2011}, month = {MAY}, pages = {1855-1862}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Experimental charge density distribution in 2, 5-dichloro-1, 4-benzoquinone has been carried out using high resolution X-ray diffraction data at 90 K to quantitatively evaluate the nature of C-Cl center dot center dot center dot O=C halogen bond in molecular crystals. Additionally, the halogen bond is studied from geometrical point of view and the same has been visualized using Hirshfeld surface analysis. The obtained results from experimental charge density analysis are compared with periodic quantum calculations using B3LYP 6-31G(d,p) level of theory. The topological values at bond critical point, three-dimensional static deformation density features and electrostatic potential isosurfaces unequivocally establish the attractive nature of C-Cl center dot center dot center dot O=C halogen bond in crystalline lattice.

}, issn = {1528-7483}, doi = {10.1021/cg2000415}, author = {Hathwar, Venkatesha R. and Gonnade, Rajesh G. and Munshi, Parthapratim and Bhadbhade, Mohan M. and Row, Tayur N. Guru} } @article { ISI:000296312200066, title = {Helical water chain mediated proton conductivity in homochiral metal-organic frameworks with unprecedented zeolitic unh-topology}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {44}, year = {2011}, month = {NOV}, pages = {17950-17958}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Four new homochiral metal-organic framework (MOF) isomers, [Zn(l-L-Cl)(Cl)](H2O)(2) (1), [Zn(l-L-Br)(Br)]-(H2O)(2) (2), [Zn(d-L-Cl)(Cl)(H2O)(2) (3), and [Zn(d-L-Br)-(Br)] (H2O)(2) (4) [L = 3-methyl-2-(pyridin-4-ylmethylamino)-butanoic acid], have been synthesized by using a derivative of L-/D-valine and Zn(CH3COO)(2)center dot 2H(2)O. A three-periodic lattice with a parallel ID helical channel was formed along the crystallographic c-axis. Molecular rearrangement results in an unprecedented zeolitic unh-toparigy in 1-4. In each case, two lattice water molecules (one H-bonded. to halogen atoms) form a secondary helical continuous water chain inside the molecular helix. MOFs 1 and 2 shows different water adsorption properties and hence different water affinity. The arrangement of water molecules inside the channel Was monitored by variable temperature single crystal X-ray diffraction, which indicated that MOF 1 has a higher water holding capacity than MOF 2. In MOF 1, water escapes. at 80 degrees C, while in T the same happens at a much lower temperature (similar to 40 degrees C). All the MOFs reported here shows reversible crystallization by readily reabsorbing moisture. In MOFs 1 and 2, the frameworks are stable after solvent removal, which is confirmed by a single-crystal to single crystal transformation. MOFs 1 and 3 show high proton conductivity of 4.45 x 10(-5) and 4.42 x 10(-5) S cm(-1), respectively, while 2 and 4 shows zero proton conductivity. The above result is attributed to the fact that MOF 1 has a higher water holding capacity than MOF 2.

}, issn = {0002-7863}, doi = {10.1021/ja2078637}, author = {Sahoo, Subash Chandra and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000294374900020, title = {Heteropolyacid supported on montmorillonite catalyst for dehydration of dilute bio-ethanol}, journal = {Applied Clay Science}, volume = {53}, number = {2, SI}, year = {2011}, month = {AUG}, pages = {263-271}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vapour phase dehydration of dilute bio-ethanol (EtOH) to ethylene (E) and diethyl ether (DEE) is industrially relevant. Ethylene is an important raw material for many petrochemical products and Diethyl ether (DEE) can be used as an alternative fuel. The efficacy of montmorillonite (K-10) and dodecatungestophosphoric acid (DTPA) supported on montmorillonite (DTPA/K-10), has been evaluated in the current work in the dehydration of dilute bio-ethanol (80\%m/m). The dehydration of ethanol and cracking of diethyl ether were studied independently. 30\% m/m DTPA/K-10 was found to be more active with 74\% ethanol conversion and 92\% ethylene selectivity at 250 degrees C in comparison with other acid catalysts used. The merit of the process lies in its use of dilute bio-ethanol, a new avenue for ethylene production from a non-petroleum feedstock. Kinetic interpretation has been made by studying the important process parameters by using 30\%m/m DTPA/montmorillonite as the catalyst. The mechanism of the dehydration of ethanol reaction suggests that two types of sites are responsible. The dehydration of ethanol and cracking of diethyl ether are second order reactions with weak adsorption of species. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Bio-ethanol, dehydration, Diethyl ether, Ethylene, Heteropolyacid}, issn = {0169-1317}, doi = {10.1016/j.clay.2011.03.006}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000294225100030, title = {High level phytase production by aspergillus niger NCIM 563 in solid state culture: response surface optimization, up-scaling, and its partial characterization}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {38}, number = {9}, year = {2011}, month = {SEP}, pages = {1407-1417}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Phytase production by Aspergillus niger NCIM 563 was optimized by using wheat bran in solid state fermentation (SSF). An integrated statistical optimization approach involving the combination of Placket-Burman design (PBD) and Box-Behnken design (BBD) was employed. PBD was used to evaluate the effect of 11 variables related to phytase production, and five statistically significant variables, namely, glucose, dextrin, NaNO(3), distilled water, and MgSO(4)center dot 7H(2)O, were selected for further optimization studies. The levels of five variables for maximum phytase production were determined by a BBD. Phytase production improved from 50 IU/g dry moldy bran (DMB) to 154 IU/g DMB indicating 3.08-fold increase after optimization. A simultaneous reduction in fermentation time from 7 to 4 days shows a high productivity of 38,500 IU/kg/day. Scaling up the process in trays gave reproducible phytase production overcoming industrial constraints of practicability and economics. The culture extract also had 133.2, 41.58, and 310.34 IU/g DMB of xylanase, cellulase, and amylase activities, respectively. The partially purified phytase was optimally active at 55A degrees C and pH 6.0. The enzyme retained ca. 75\% activity over a wide pH range 2.0-9.5. It also released more inorganic phosphorus from soybean meal in a broad pH range from 2.5 to 6.5 under emulated gastric conditions. Molecular weight of phytase on Sephacryl S-200 was approximately 87 kDa. The K (m) and V (max) observed were 0.156 mM and 220 mu m/min/mg. The SSF phytase from A. niger NCIM 563 offers an economical production capability and its wide pH stability shows its suitability for use in poultry feed.

}, keywords = {Aspergillus niger, Phytase, Response surface optimization, Solid state fermentation, Statistical methods}, issn = {1367-5435}, doi = {10.1007/s10295-010-0926-z}, author = {Bhavsar, Kavita P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article { ISI:000297265800023, title = {Highly exposed and activity modulated sandwich type Pt thin layer catalyst with enhanced utilization}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {47}, year = {2011}, month = {OCT}, pages = {19039-19048}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Pt thin layer catalyst supported on an in situ prepared {\textquoteleft}RuO(2)-carbon-RuO(2){\textquoteright} sandwich type hybrid support is presented. This is achieved by the extensive functionalization of a hollow carbon nanofiber support to introduce oxygen containing functional groups (FCNF) with the specific aim to accomplish the exclusive adsorption of Ru ions along its inner cavity and outer surfaces. Preferential adsorption of Ru ions from a mixture of Pt and Ru with sufficient time for adsorption and reorganization of ions on the carbon nanofiber surface leads to the in situ renovation of FCNFs to form a hybrid {\textquoteleft}RuO(2)-carbon-RuO(2){\textquoteright} sandwich type support followed by Pt nanoparticle decoration. While the selective exposure of Pt on the hybrid support surface is confirmed from the HRTEM analysis, the electronic changes effected in the CNF support are evident from the XPS and XRD analysis. Finally, the potential benefit of such a design is also demonstrated using electrochemical studies, where the three-fold increase in the electrochemically active surface area from cyclic voltammetric analysis, a four-fold improvement in the limiting current density coupled with a 80 mV gain in onset potential from rotating disc electrode studies for the oxygen reduction reaction, and a drastic reduction in the CO poisoning for methanol oxidation reaction underlines the superb performance of this material. Such an exceptionally high performance can be attributed to the strong electronic perturbations occurring in the Pt and the FCNF support due to the presence of a continuous RuO(2) layer in between. Such a high aspect ratio core-shell type design with an unusual enhancement in the Pt utilization establishes the roles of both the hybrid support and active catalyst to address the future challenges in the area of utilization improvement.

}, issn = {0959-9428}, doi = {10.1039/c1jm11588j}, author = {Balan, Beena K. and Kurungot, Sreekumar} } @article { ISI:000293693200004, title = {Hydrogen bond directed honeycomb-like porous network structure of tris (bipyridyl-glycoluril)cobalt(III) chloride}, journal = {Crystengcomm}, volume = {13}, number = {17}, year = {2011}, month = {JUL}, pages = {5289-5291}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The [Co(bpg)3]Cl-3 complex (1), where bpg = 4b, 5, 7, 7a-tetrahydro4b,7a-epiminomethan-oimino-6H-imidazo [4,5-f][1,10]-phenanthroline-6,13-dione has been synthesized and characterized by various spectroscopic techniques and single crystal X-ray diffraction. The combination of bipyridyl-glycoluril (bpg) ligands and cobalt ion self-organise to form a honeycomb-like porous network structure resulting in the formation of zeolite like channels which adsorb gases, is described.

}, issn = {1466-8033}, doi = {10.1039/c1ce05376k}, author = {Kawade, Vitthal A. and Kumbhar, Avinash S. and Erxleben, Andrea and Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000291559600087, title = {Hyper-production of beta-glucosidase and beta-xylosidase by aspergillus niger NCIM 1207 In Xylan-Containing Media}, journal = {Bioresources}, volume = {6}, number = {2}, year = {2011}, month = {JAN}, pages = {2066-2076}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {

Aspergillus niger NCIM 1207 produced significantly high levels of beta-glucosidase and beta-xylosidase activities in submerged fermentation. Cellulose induced only beta-glucosidase, while xylan induced both beta-glucosidase and beta-xylosidase activities. Both the enzymes of this strain were found to undergo catabolite repression in the presence of high concentrations of glucose and glycerol. The sudden drop in pH of the fermentation medium below 3.5 caused the inactivation of enzymes when the fungus was grown in glycerol-containing media at lower temperatures. The growth of the organism at 36 degrees C led to an increase in pH of the fermentation above 6.0 that affected beta-xylosidase activity significantly. Highest levels of beta-glucosidase ((19 IU mL(-1) or 633 IU g(-1) of substrate) and beta-xylosidase (18.7 IU/mL(-1) or 620 IU g(-1) of substrate) activities were detected when A. niger was grown at 30 degrees C for first five days followed by further incubation at 36 degrees C. Such a process of growing the organism at lower temperatures (growth phase) followed by producing the enzymes at higher temperatures (production phase) in case of fungal systems has not been reported so far. The zymogram staining of the beta-glucosidase demonstrated that A. niger produced only single species of beta-glucosidase. We feel that A. niger NCIM 1207 is a potential candidate to produce both beta-glucosidase and beta-xylosidase in high amounts that can be used to supplement commercial cellulase preparations.

}, keywords = {Aspergillus niger NCIM 1207, beta-glucosidase production, beta-xylosidase production}, issn = {1930-2126}, author = {Khisti, Ujwala and Bastawade, Kulbhushan B. and Gokhale, Digambar V.} } @article { ISI:000293492300024, title = {Influence of Al3+ insertion in the stannosilicate MFI framework on the catalytic performance in vapor phase aniline N-methylation}, journal = {Applied Catalysis A-General}, volume = {401}, number = {1-2}, year = {2011}, month = {JUL}, pages = {182-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Silica-based Sn-MFI, Al-MFI and Al-Sn-MFI molecular sieves were synthesized by hydrothermal crystallization of gels having molar compositions SiO2:xSnO(2):yAl(2)O(3):0.23 (TPA)(2)O:35H(2)O, where x ranges from 1/0 to 1/200 and y from 1/0 to 1/400. Keeping molar Si/(Al + Sn) = 50, the amount of tin and aluminum in hydrogel was varied (Sn:Al molar ratios = 1:0, 1:0.33, 1:1, 1:3, 0:1) to investigate the synergy between Lewis and Bronsted acid sites in acid catalyzed aniline N-methylation reaction. Catalyst characterization was done by Powder X-ray diffraction, DRUV-vis spectroscopy, temperature programmed ammonia desorption (TPAD) and FTIR spectroscopy. An increase in the Al3+ insertion in Sn-MFI framework resulted in the increase in the stronger acid sites. Al-Sn-MFI showed higher aniline conversion than their monometallic counterparts. A sample having B/L ratio in between 0.67 and 0.91 was found to be optimum for maximizing the NMA yield, indicating the existence synergistic properties of Al-Sn-MFI. Upon process parameter optimization, the optimum sample M50 [Si/Al = 50.2, Si/Sn = 93.8, Si/(Al + Sn) = 43.2] showed the maximum aniline conversion (67\%) and NMA selectivity (81\%) at reaction temperature = 220 degrees C, weight hourly space velocity (WHSV) = 3 h(-1), molar ratio (aniline to methanol) = 1:8 and TOS = 4 h. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Al-Sn-MFI, Aniline, Bronsted and Lewis acid, Methanol, N-methylaniline}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.05.019}, author = {Niphadkar, P. S. and Joshi, P. N. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article {42540, title = {Interfacial electron transfer dynamics of two newly synthesized catecholate bound ruII polypyridyl-based sensitizers on TiO2 nanoparticle surface - a femtosecond pump probe spectroscopic study}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {SEP}, pages = {4187{\textendash}4197}, abstract = {

Two new catecholate-bound RuII{\textendash}polypyridine based sensitizers, (2,2'-bipyridine){ethyl 3-(4-hydroxyphenyl)-2-[(4'-methyl-2,2'-bipyridinyl-4-carbonyl)amino]propionate}{4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol)}ruthenium(II) hexafluorophosphate (5) and [(2,2'-bipyridine)-(4-2,2'-bipyridinyl-4-yl-phenol)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (6) with secondary electron-donating groups (tyrosine and phenol, respectively) were synthesized and characterized. Steady-state optical absorption and emission studies confirm strong coupling between the sensitizers and TiO2 nanoparticles. Femtosecond visible transient absorption spectroscopy has been employed to study interfacial electron transfer (IET) dynamics in the dye{\textendash}nanoparticle systems to explore the influence of the secondary electron-donating groups on IET dynamics. Electron injection into the conduction band of nanoparticulate TiO2 has been confirmed by detection of the conduction band electrons in TiO2 ([e{\textendash}]TiO2CB) and radical cation of the adsorbed dye (D{\textperiodcentered}+) in real time monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\< 100 fs) electron injection has been observed. Back electron transfer (BET) dynamics have been studied by monitoring the decay kinetics of the injected electron in the conduction band of TiO2 and by the recovery of the ground state bleach. BET dynamics in dye{\textendash}TiO2 systems for complexes 5 and 6 have been compared with those of [bis(2,2'-bpy)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (7), which does not have a secondary electron-donating group.

}, doi = {10.1002/ejic.201100411}, author = {Banerjee, Tanmay and Rawalekar, Sachin and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000289364600022, title = {Intermolecular benzoyl group transfer reactivity in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate: controlling reactivity by solvate (pseudopolymorph) formation}, journal = {Crystengcomm}, volume = {13}, number = {9}, year = {2011}, month = {MAY}, pages = {3258-3264}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate (rac-3), which usually crystallizes in a monoclinic lattice (Form I, P2(1)/c) from common organic solvents, when crystallized from 2-propanol yielded concomitantly, thin whisker like crystals (Form II, triclinic, P (1) over bar) with inclusion of 2-propanol and water molecules, along with the Form I crystals. Thin fibre-like crystals were also obtained on crystallization from toluene, with inclusion of toluene and water in the crystal lattice (Form III). The Form II and Form III crystals could be converted into the Form I crystals thermally via melt crystallization. Form I crystals exhibit a facile transesterification reaction, but the solvated crystals are unreactive under the same conditions until their transformation to the reactive form. The reactivity patterns of the Form I and Form II crystals correlate well with the molecular organization in them. Since reactivity of the crystals of rac-3 depends on the solvent and the method of crystallization, and the thermal transition of one crystal form to the other, these phase changes can be used as a switch to control the benzoyl transfer reactivity of the constituent molecules in crystals.

}, issn = {1466-8033}, doi = {10.1039/c1ce05054k}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000300460900038, title = {Investigation of wustite (Fe1-xO) by femtosecond laser assisted atom probe tomography}, journal = {Ultramicroscopy}, volume = {111}, number = {6}, year = {2011}, month = {MAY}, pages = {584-588}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this paper, we report results obtained from laser assisted three-dimensional (3-D) atom probe tomography (APT) on wustite (Fe1-xO). Oxides are generally insulating and hence hard to analyse in conventional electrical assisted APT. To overcome this problem, femtosecond laser pulses are used instead of voltage pulses. Here we discuss some aspects of pulsed laser field evaporation and optimization of parameters to achieve better chemical accuracy. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Atom probe tomography, Laser assisted field evaporation, Wustite}, issn = {0304-3991}, doi = {10.1016/j.ultramic.2010.11.023}, author = {Bachhav, Mukesh N. and Danoix, R. and Danoix, F. and Hannoyer, Beatrice and Ogale, Satishchandra B. and Vurpillot, F.} } @article { ISI:000285674000014, title = {Investigations of magnetic and dielectric properties of cupric oxide nanoparticles}, journal = {Solid State Communications}, volume = {151}, number = {1}, year = {2011}, month = {JAN}, pages = {55-60}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Cupric oxide nanoparticles of similar to 8-10 nm width and 40-45 nm length self assembled as large particles similar to 1-1 5 mu m have been investigated in the 10-325 K temperature range using magnetic and dielectric measurements In magnetic measurements a single broad peak at similar to 230 K in a zero field cooled sample has been observed Coercivity in magnetization measurements at 10 K suggests that the nanoparticles are core-shell type particles with an antiferromagnetic core and a ferromagnetic shell Dielectric measurements at various frequencies from 3 7 Hz to 949 kHz exhibit a sharp peak at 284 K followed by weak anomalies around 213 and 230 K (C) 2010 Elsevier Ltd All rights reserved

}, keywords = {CuO nanoparticles, Dielectric, Ferroelectric transition, Ferromagnetic}, issn = {0038-1098}, doi = {10.1016/j.ssc.2010.10.024}, author = {Bhalerao-Panajkar, Rohini S. and Shirolkar, Mandar M. and Das, Raja and Maity, Tuhin and Poddar, Pankaj and Kulkarni, S. K.} } @article { ISI:000291804900001, title = {Isolation, identification and optimization of a new extracellular lipase producing strain of rhizopus sp.}, journal = {Applied Biochemistry and Biotechnology}, volume = {164}, number = {7}, year = {2011}, month = {AUG}, pages = {969-978}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

A lipolytic mesophilic fungus which produces lipase extracellularly was isolated from soil. Based on ITS1-5.8S-ITS4 region sequences of ribosomal RNA, it was concluded that the isolate JK-1 belongs to genus Rhizopus and clades with Rhizopus oryzae. The present paper reports the screening, isolation, identification, and optimization of fermentation conditions for the production of lipase (EC 3.1.1.3). Culture conditions were optimized, and the highest lipase production was observed in basal medium with corn steep liquor as nitrogen source and glucose as carbon source. Maximum lipase production was observed at 72 h, which is about 870 U/ml. Optimization of fermentation conditions resulted in 16-fold enhancement in enzyme production.

}, keywords = {Corn steep liquor, Fermentation, ITS region, Lipase, Medium optimization, Rhizopus}, issn = {0273-2289}, doi = {10.1007/s12010-011-9188-0}, author = {Kantak, Jayshree B. and Bagade, Aditi V. and Mahajan, Siddharth A. and Pawar, Shrikant P. and Shouche, Yogesh S. and Prabhune, Asmita} } @article { ISI:000294374900007, title = {Liquid phase oxidation of p-vanillyl alcohol over synthetic Co-saponite catalyst}, journal = {Applied Clay Science}, volume = {53}, number = {2, SI}, year = {2011}, month = {AUG}, pages = {157-163}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Effect of cobalt loading on porosity of synthetic Co-saponite catalysts and on the air oxidation of p-vanillyl alcohol was studied by varying Co content in the range of 5\% to 30\% using in situ precipitation method. The pore size increased from 1.29 to 3.69 nm indicating a transition from micro to meso porosity, with increase in Co loading from 5\% to 30\%. The distribution ratio of Co(3)O(4)/CoO phases as estimated from TPR studies, also increased from 0.84 to 1.67 with increase in Co loading from 5\% to 13\% and remained almost constant (1.7) with further increase in Co loading up to 30\%. The highest activity (conversion 55\%) and selectivity of 99\% to p-vanillin obtained for 13\% Co-saponite in p-vanillyl alcohol oxidation was due to the highest distribution ratios of Co(3)O(4)/CoO phases. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Co-saponite, Cobalt oxide phase ratio, p-Vanillin, p-Vanillyl alcohol oxidation, Porosity transition, Temperature programmed reduction}, issn = {0169-1317}, doi = {10.1016/j.clay.2010.10.026}, author = {Garade, Ajit C. and Biradar, Narayan S. and Joshi, S. M. and Kshirsagar, V. S. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V.} } @article { ISI:000285408700002, title = {Low thermal emissive surface properties of ZnO/polyimide composites prepared by pulsed laser deposition}, journal = {Applied Surface Science}, volume = {257}, number = {6}, year = {2011}, month = {JAN}, pages = {1824-1828}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the low thermal-emissive surface properties of composites of ZnO-polyimide. The composites were synthesized by depositing ZnO on polyimide surface by pulsed laser deposition technique. ZnO target was ablated at different incident energy densities and the substrate (polyimide) was held at elevated temperature. This facilitated the c-axis oriented growth of ZnO, which was inferred from the X-ray diffraction analysis. The composites consisted of multilayers having different electrical resistivities. The values of which are also estimated from Hagen-Rubens relation. The reduced infrared emissivities of the composite films, as compared to polyimide, were correlated to the increased carrier concentration and reduced surface resistivity estimated from the Hall measurements. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {pulsed laser deposition, Thermal emissivity, Thin films, Zinc oxide}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.08.083}, author = {Babrekar, Harshada A. and Jejurikar, S. M. and Jog, Jyoti Prakash and Adhi, K. P. and Bhoraskar, S. V.} } @article { ISI:000288772300011, title = {Magnetic properties of thermal plasma synthesized nanocrystalline nickel ferrite (NiFe2O4)}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {12}, year = {2011}, month = {MAR}, pages = {4404-4413}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A rapid synthesis method is reported for magnetic nanoparticles of nickel ferrite involving thermal plasma assisted vapor phase condensation process. The as-synthesized samples were characterized by X-ray Diffraction, Transmission Electron Microscopy, Vibrating Sample Magnetometer and X-ray Photoelectron Spectroscopy techniques. The average particle size was determined from the TEM micrographs and found to be around 30 nm. The effects of reactor parameters on the magnetic and structural properties have been evaluated, to find the optimized parameters so as to achieve the highest values of saturation magnetization and coercivity. Reasonably high saturation magnetization (48 emu/g) has been assigned to the high degree of crystallinity, achieved on account of high temperature during the growth, and the cation redistribution. The high value of coercivity (1150e) is explained on the basis of possible lattice defects arising from the cation redistribution. Detailed analysis of cation distribution using the XRD line intensity data leads to the conclusion that these samples are iron deficit and nickel rich. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {crystal structure, Magnetic measurements, Magnetization, Nanostructured materials, TEM}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.01.057}, author = {Nawale, Ashok B. and Kanhe, Nilesh S. and Patil, K. R. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @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:000297792700001, title = {Mode-coupling glass transition in a fluid confined by a periodic potential}, journal = {Physical Review E}, volume = {84}, number = {6, 1}, year = {2011}, month = {DEC}, pages = {061501}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We show that a fluid under strong spatially periodic confinement displays a glass transition within mode-coupling theory at a much lower density than the corresponding bulk system. We use fluctuating hydrodynamics, with confinement imposed through a periodic potential whose wavelength plays an important role in our treatment. To make the calculation tractable we implement a detailed calculation in one dimension. Although we do not expect simple 1d fluids to show a glass transition, our results are indicative of the behavior expected in higher dimensions. In a certain region of parameter space we observe a three-step relaxation reported recently in computer simulations [S. H. Krishnan, Ph.D. thesis, Indian Institute of Science (2005); Kim et al., Eur. Phys. J. Special Topics 189, 135 (2010)] and a glass-glass transition. We compare our results to those of Krakoviack [Phys. Rev. E 75, 031503 (2007)] and Lang et al. [Phys. Rev. Lett. 105, 125701 (2010)].

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.84.061501}, author = {Nandi, Saroj Kumar and Bhattacharyya, Sarika Maitra and Ramaswamy, Sriram} } @conference {43382, title = {Molecular dynamics simulations of ch4 clathrate hydrate dissociation adjacent to hydrated silica surfaces}, booktitle = {7th International Conference on Gas Hydrates}, year = {2011}, month = {JUL}, abstract = {

We use molecular dynamics simulations to study the decomposition of structure I CH4 clathrate hydrate exposed to water. Simulations are performed for a hydrate + water system and two related cases with the hydrate adjacent to hydrate silica layers. The simulations are in the NVE adiabatic ensemble paying careful attention to the non-isothermal nature of the hydrate dissociation process. The effects of mass and energy transfer on the hydrate dissociation rate are studied. The effect of the silica surface on the dissociation rate and mechanism are studied. It is observed that the hydrate layer decomposes more quickly in simulations where it is in contact with silica. The implications on decomposition of the hydrate in hydrate reservoirs adjacent to sand sediments are discussed.

}, author = {Bagherzadeh, A. and Englezos, Peter and Alavi, S. and Kumar, Rajnish and Ripmeester, John A.} } @article { ISI:000292455700027, title = {Money handling and obesity: a test of the exaptation hypothesis}, journal = {Current Science}, volume = {100}, number = {11}, year = {2011}, month = {JUN}, pages = {1695-1700}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The food reward centres in the brain play a central role in the regulation of food intake and thereby obesity. In the modern lifestyle, a number of artificial rewards such as money have been introduced and brain areas evolved for handling food rewards appear to be exapted to handle money and other rewards. This implies that the changing behaviour related to these rewards could influence obesity. Considering money as a reward, we conducted a survey of 211 full-time cashiers to test whether ownership over cash, amount of cash handled and duration of cash-handling work correlated with obesity parameters. Body mass index was significantly affected by sex, ownership, amount of money handled and duration of cash-handling service. Waist-to-hip ratio was significantly affected by sex, amount of money handled and marginally by ownership. The results are compatible with the exaptation hypothesis. It is possible that increasing importance of non-food rewards may play a significant role in the obesity epidemic.

}, keywords = {Body weight, economics of obesity, exaptation hypothesis, money handling}, issn = {0011-3891}, author = {Karve, Shraddha and Shurpali, Ketaki and Dahanukar, Neelesh and Paranjape, Sharayu and Jog, Maithili and Belsare, Prajakta and Watve, Milind} } @article {42766, title = {Nanoparticles that communicate in vivo to amplify tumour targeting}, journal = {Nature Materials}, volume = {10}, year = {2011}, month = {JUL}, pages = {545-552}, doi = {10.1038/NMAT3049}, author = {von Maltzahn, Geoffrey and Park, Ji-Ho and Lin, Kevin Y. and Singh, Neetu and Schwoeppe, Christian and Mesters, Rolf and Berdel, Wolfgang E. and Ruoslahti, Erkki and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article {42716, title = {New CNN-type ruthenium pincer NHC complexes. synthesis and catalytic activity. mild, efficient hydrogenation of esters}, journal = {Organometallics}, volume = {30}, year = {2011}, month = {JUN}, pages = {3826{\textendash}3833}, abstract = {

New pincer ruthenium complexes (2{\textendash}6) based on the new bipyridine-NHC ligand 1 were prepared and studied, resulting in an efficient catalytic hydrogenation of esters to the corresponding alcohols under mild conditions. Reaction of the ligand 1 with RuH(Cl)CO(PPh3)3, followed by reaction with one equivalent of the base KHMDS, gave the mixed phosphine-NHC complex 2, incorporating a C{\textendash}H-activated bipyridine ligand. Complex 2 has an octahedral structure containing two phosphorus atoms trans to each other, a hydride trans to the NHC ligand, and CO trans to the C{\textendash}H-activated carbon of the bipyridine ligand. Using the precursor complex Ru(p-cymene)Cl2(CO), reaction with 1 followed by treatment of the intermediate product with one equivalent of KHMDS resulted in formation of the dichloride pincer complexes 3a and 3b, which are in equilibrium, as indicated by variable-temperature 1H NMR. Complex 3a is an octahedral, neutral, and symmetric complex with the CO ligand positioned trans to the central pyridine group of the pincer ligand and the two chlorides trans to each other, as indicated by single-crystal X-ray diffraction. Complex 3b is cationic, with an outer-sphere chloride. Reaction of the NHC ligand 1 with LiHMDS at low temperature followed by addition of RuH(Cl)CO(PPh3)3 resulted in the mixed phosphine-NHC complex 4, which has an octahedral structure containing phosphorus trans to the hydride, a CO trans to the NHC ligand, and an outer-sphere chloride. Chloride substitution by BArF{\textendash} gave the X-ray-characterized complex 5. Deprotonation of complex 4 with KHMDS resulted in formation of the dearomatized complex 6. The in situ prepared 6 (from complex 4 and an equivalent of base) is among the best catalysts known for the hydrogenation of nonactivated esters to the corresponding alcohols under mild conditions.

}, doi = {10.1021/om200367j}, author = {Fogler, Eran and Balaraman, Ekambaram and Ben-David, Yehoshoa and Leitus, Gregory and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000295259700041, title = {N-Heterocyclic carbene catalyzed umpolung of michael acceptors for intermolecular reactions}, journal = {Angewandte Chemie-International Edition}, volume = {50}, number = {36}, year = {2011}, month = {AUG}, pages = {8412-8415}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

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

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

}, doi = {10.1021/ol102626p}, author = {Padmanaban, Mohan and Biju, Akkattu T. and Glorius, Frank} } @article { ISI: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:000286902200016, title = {One-pot synthesis of 2,4,5-trisubstituted imidazoles using MoO3/SiO2, an efficient and recyclable catalyst}, journal = {Synthetic Communications}, volume = {41}, number = {5}, year = {2011}, month = {JAN}, pages = {PII 932996516}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

[image omitted] A simple one-pot synthesis has been developed for the synthesis of 2,4,5-trisubstituted imidazoles using an efficient and recyclable MoO3/SiO2 solid acid catalyst by condensation of benzil or benzoin, benzaldehyde, and ammonium acetate in acetonitrile as a solvent. Using this solid catalyst, the reactions could be carried out under mild reaction conditions with very good yield of imidazoles, up to 95\%. This catalyst could be recycled very easily, which makes this methodology environmentally benign.

}, keywords = {benzil, benzoin, cyclocondensation, imidazoles, MoO3, One-pot, SiO2, solid acid}, issn = {0039-7911}, doi = {10.1080/00397911003644415}, author = {Bhosale, Sidhanath V. and Kalyankar, Mohan B. and Nalage, Santosh V. and Bhosale, Dattatry S. and Pandhare, Swati L. and Kotbagi, Trupti V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000294656400011, title = {One-step stereospecific strategy for the construction of the core structure of the 5,11-methanomorphanthridine alkaloids in racemic as well as in optically pure form: synthesis of (+/-)-pancracine and (+/-)-brunsvigine}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2011}, month = {AUG}, pages = {4571-4587}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The unique core structure of the complex pentacyclic 5,11-methanomorphanthridine has been constructed stereospecifically in one step by an intramolecular [3+2] cycloaddition of a non-stabilized azomethine ylide (AMY), generated by the sequential double desilylation of 14 using (AgF)-F-I as a one-electron oxidant. The formation of the single diastereomer in the key step is explained by the preferred transition state produced by endo attack of the AMY on the {\textquoteleft}{\textquoteleft}Re{\textquoteright}{\textquoteright} face of the dipolarophile. An asymmetric version of the cycloaddition using a chiral dipolarophile was applied to construct the core structure 68 with 63 \% ee. This strategy was successfully applied to the formal synthesis of (+/-)-pancracine and the total synthesis of (+/-)-brunsvigine. An unprecedented and interesting skeletal rearrangement product 49 was observed during the attempted assembly of the E ring from 46 through Horner-Wadsworth-Emmons reactions. Mechanisms involving azetidinium salt formation or the Grob-type fragmentation are advanced to explain the observed rearrangement.

}, keywords = {alkaloids, Azomethine ylides, Cycloaddition, Ring-closing metathesis, synthesis design}, issn = {1434-193X}, doi = {10.1002/ejoc.201100601}, author = {Pandey, Ganesh and Kumar, Ravindra and Banerjee, Prabal and Puranik, Vedavati G.} } @article { ISI:000295552400021, title = {One-step synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines and their use in the synthesis of highly functionalized 2,3,5,6,7-and 2,3,4,5,7-substituted indoles}, journal = {Tetrahedron Letters}, volume = {52}, number = {42}, year = {2011}, month = {OCT}, pages = {5491-5493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A three-component, one-step method for the synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines involving reaction of alkyl aldehyde, malononitrile and aryl aldehyde in presence of morpholine is reported. Highly functionalized 2,3,5,6,7- and 2,3,4,5,7-substituted indoles were prepared from these dicyanoanilines by reaction with ethyl bromoacetate. These substituted dicyanoanilines and indoles have a potential to be converted into various other compounds taking advantage of various functional groups present in these molecules. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, Dicyanoanilines, indoles, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.08.064}, author = {Sawargave, Sangmeshwer P. and Kudale, Ananada S. and Deore, Jaydeep V. and Bhosale, Dattatry S. and Divse, Jaisingh M. and Chavan, Subhash P. and Borate, Hanumant B.} } @article { ISI:000293288500004, title = {Ordered mesoporous silica as supports in the heterogeneous asymmetric catalysis}, journal = {Catalysis Surveys from Asia}, volume = {15}, number = {3}, year = {2011}, month = {SEP}, pages = {200-214}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Enantioselective synthesis of organic compounds has been studied by homogeneous catalysts for several years. However, these catalysts have yet to make a significant impact on industrial scales for fine chemical synthesis. A primary reason is the designing of a homogeneous asymmetric catalyst, which requires relatively bulky ligands and catalyst recovery and recycling often causes problems. One of the convincing ways to overcome this problem is to immobilise the asymmetric catalyst onto a solid support and the resulting heterogeneous asymmetric catalyst system can, in principle, be readily re-used. A large number of supports such as inorganic oxides including zeolites, alumina, zirconia, silica and organic polymers have been employed as supports in heterogeneous asymmetric catalysis. Therefore, in this review article we have summarized the work done by us in our laboratory on the immobilization of chiral transition metal complexes such as Ru, Ir, Mn and Ti onto ordered mesoporous silica and its asymmetric catalysis. All these immobilized catalysts were well characterized by different physicochemical techniques to confirm the structural retention of the support as well as the active metal complex after immobilization. This report includes our asymmetric catalytic investigations in enantioselective reactions such as hydrogenation of ketones, olefins, oxidation of sulfides and oxidative kinetic resolution of alcohols and sulfoxides through immobilized heterogeneous catalyst systems.

}, keywords = {Enantioselective hydrogenation, Enantioselective oxidation, Immobilization, Mesoporous silica, Oxidative kinetic resolution}, issn = {1571-1013}, doi = {10.1007/s10563-011-9122-z}, author = {Sahoo, Suman and Bordoloi, Ankur and Halligudi, Shivaraj B.} } @article { ISI:000297791400001, title = {Organocatalytic asymmetric 1,6-addition reactions}, journal = {Chemcatchem}, volume = {3}, number = {12}, year = {2011}, month = {DEC}, pages = {1847-1849}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Asymmetric synthesis, catalysis, Michael addition, organocatalysis, phase-transfer catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.201100279}, author = {Biju, Akkattu T.} } @article {42590, title = {Pentadecyl phenol- and cardanol-functionalized fluorescent, room- temperature liquid-crystalline perylene bisimides: effect of pendant chain unsaturation on self-assembly}, journal = {Chemistry - A European Journal}, volume = {17}, year = {2011}, month = {NOV}, pages = {12646{\textendash}12658}, abstract = {

A new perylene bisimide (PBI) building block based on pentadecyl phenol (PDP) or cardanol was developed, which upon esterification with 3,4,5-tridodecyloxy gallate resulted in highly emissive, room-temperature liquid-crystalline (LC) molecules. The self assembly in solution was studied in detail by NMR spectroscopy, UV/Vis absorption, and fluorescence spectroscopy. In solution both PDP- and cardanol-based PBI exhibited similar behavior. They were molecularly dissolved in chloroform (CHCl3) but formed rotationally displaced H-type aggregates that emitted at 640 nm in methylcyclohexane (MCH). Surface morphology in dropcast films were characterized using microscopic techniques such as SEM, TEM, and atomic force microscopy (AFM). The liquid-crystalline properties were studied using differential scanning calorimetry (DSC), polarized light microscopy (PLM), and variable-temperature X-ray (small-angle X-ray scattering (SAXS) and wide-angle X-ray diffraction (WXRD)) studies. Variable-temperature X-ray studies in the LC phase indicated strong π{\textendash}π stacking interaction present in the PDP-based PBI derivative, whereas the stacking was absent in the LC phase of the cardanol-based PBI. The latter formed self-organized structures of extremely short length due to the presence of cis double bonds in the C15 alkyl side chain, whereas the saturated alkyl side chain in PDP could pack efficiently, thereby resulting in nanofibers that were several micrometers in length.

}, doi = {10.1002/chem.201101011}, author = {Bhavsar, Ghanashyam A. and Asha, S. K.} } @article { ISI:000293662800019, title = {Phase behavior of lipid-based lyotropic liquid crystals in presence of colloidal nanoparticles}, journal = {Langmuir}, volume = {27}, number = {16}, year = {2011}, month = {AUG}, pages = {9792-9800}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We have investigated the microstructure and phase behavior of monoglyceride-based lyotropic liquid crystals in the presence of hydrophilic silica colloidal particles of size comparable to or slightly exceeding the repeat units of the different liquid crystalline phases. Using small angle X-ray scattering (SAXS) and differential scanning calorimetry (DSC), we compare the structural properties of the neat mesophases with those of the systems containing silica colloidal particles. It is found that the colloidal particles always macrophase separate in inverse bicontinuous cubic phases of gyroid (Ia3d) and double diamond (Pn3m) symmetries. SAXS data for the inverse columnar hexagonal phase (H(II)) and lamellar phase (L(alpha)) suggest that a low volume fraction of the nanoparticles can be accommodated within the mesophases, but that at concentrations above a given threshold, the particles do macrophase separate also in these systems. The behavior is interpreted in terms of the enthalpic and entropic interactions of the nanoparticles with the lamellar and hexagonal phases, and we propose that, in the low concentration limit, the nanoparticles are acting as point defects within the mesophases and, upon further increase in concentration, initiate nucleation of nanoparticles dusters, leading to a macroscopic phase separation.

}, issn = {0743-7463}, doi = {10.1021/la201767p}, author = {Venugopal, Edakkal and Bhat, Suresh K. and Vallooran, Jijo J. and Mezzenga, Raffaele} } @article { ISI:000289028500081, title = {Phase separation of DMDBS from PP: effect of polymer molecular weight and tacticity}, journal = {Macromolecules}, volume = {44}, number = {7}, year = {2011}, month = {APR}, pages = {2358-2364}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report an unexpected dependence of DMDBS phase separation temperature on the molecular weight of the matrix isotactic polypropylene (iPP). DMDBS crystallizes out at lower temperatures for iPP with decreasing molecular weight (and correspondingly lower tacticity). All the iPPs in our study are reasonably high molecular weight samples and there is no molecular weight dependence of their solubility parameter. Therefore, the decrease in DMDBS phase separation temperature for lower molecular weights cannot be rationalized using thermodynamic arguments. This molecular weight dependence appears to be unique to isotactic polypropylene and is not observed for either syndiotactic polypropylene or for random copolymers of isotactic polypropylene containing ethylene comonomer.

}, issn = {0024-9297}, doi = {10.1021/ma200035s}, author = {Sreenivas, K. and Basargekar, Rajeev and Kumaraswamy, Guruswamy} } @article { ISI:000296195400018, title = {Phosphine-mediated synthesis of 1,4-oxazepine- and 1,5-oxazocine-based sugar hybrids from deoxysugar azides}, journal = {Synthesis-Stuttgart}, volume = {21}, number = {21}, year = {2011}, month = {NOV}, pages = {3523-3529}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient and convenient method was developed for the synthesis of novel 1,4-oxazepine- and 1,5-oxazocine-based sugar hybrids from readily available deoxysugar azides by means of tributylphosphine-mediated tandem reactions. The resulting glycoconjugates might be useful in increasing the diversity of sugar backbones, and could find applications as potential glycomimetics and in drug discovery.

}, keywords = {Alkynes, azides, carbohydrates, heterocycles, oxazepines, oxazocines, Tandem reactions}, issn = {0039-7881}, doi = {10.1055/s-0030-1260218}, author = {Kurhade, Suresh E. and Salunkhe, Videsh T. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article {42719, title = {Photocatalytic splitting of CS2 to a carbon-sulfur polymer and S8 catalyzed by a bimetallic ruthenium(II) compound with a tertiary amine binding site - towards photocatalytic splitting of CO2?}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {OCT}, pages = {11273{\textendash}11275}, abstract = {

The catalytic photocleavage of CS2 to S8 and a (CxSy)n polymer with visible light using a dinuclear ruthenium(II) compound with a bipyridine units for photoactivity and a vicinal tertiary amine binding site for CS2 activation was studied. The catalyst was characterized by X-ray diffraction, 1H NMR, and 13C NMR, ESI-MS and elemental analysis. CS2 photocleavage was significant (240 turnovers, 20 h) to yield isolable S8 and a (CxSy)n polymer. A mononuclear catalyst or one without an amine binding site showed significantly less activity. XPS of the (CxSy)n polymer showed a carbon/sulfur ratio \~{}1.5{\textendash}1.6 indicating that in part both C{\textendash}S bonds of CS2 had been cleaved. Catalyst was also included within the polymer. The absence of peaks in the 1H NMR verified the (CxSy)n nature of the polymer, while 13C NMR and IR indicated that the polymer had multiple types of C{\textendash}S and C{\textendash}C bonds.

}, doi = {10.1021/ic2008045}, author = {Livanov, Konstantin and Madhu, Vedichi and Balaraman, Ekambaram and Shimon, Linda J. W. and Diskin-Posner, Yael and Neumann, Ronny} } @article { ISI: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:000287058200053, title = {Polybenzimidazoles based on 3,3 {\textquoteleft}-diaminobenzidine and aliphatic dicarboxylic acids: synthesis and evaluation of physicochemical properties toward their applicability as proton exchange and gas separation membrane material}, journal = {Journal of Applied Polymer Science}, volume = {120}, number = {2}, year = {2011}, month = {APR}, pages = {1090-1099}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A series of aromatic-aliphatic polybenzimidazoles (PBIs) based on 3,3{\textquoteright}-diaminobenzidine (DAB) and aliphatic dicarboxylic acid with incremental -CH2- groups were synthesized. Optimization of synthesis parameters and evaluation of physicochemical properties are requisite for PBI applicability as the proton exchange membrane (PEM) and gas separation membrane materials are reported. It was found that though all these PBIs exhibited high thermal, mechanical, and oxidative stability, effect of added flexibility on physical properties is not monotonous. Membranes were prepared by solution casting as well as phase-inversion method. The later types of membranes exhibited much higher H3PO4 content than its doping achieved in the solution casted membranes. These PBIs possess low hydrogen and helium permeability than that of conventional PBI. This low permeability, along with their excellent oxidative stability indicated that they can be promising PEM materials. Their CO2-sorption analysis revealed that PBI6 based on suberic acid possesses appreciable CO2 sorption. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 120: 1090-1099, 2011

}, keywords = {Gas permeation, mechanical properties, membranes, oxidative stability, polybenzimidazoles}, issn = {0021-8995}, doi = {10.1002/app.33246}, author = {Bhavsar, Rupesh S. and Nahire, Sandip B. and Kale, Mrunali S. and Patil, Shubhangi G. and Aher, Pradnya P. and Bhavsar, Ritesh A. and Kharul, Ulhas K.} } @article { ISI:000293849200017, title = {Poly(ether ether ketone)s and poly(ether ether ketone ketone)s containing cardo decahydronaphthalene groups: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {122}, number = {3}, year = {2011}, month = {NOV}, pages = {1607-1613}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

New poly(ether ether ketone)s and poly (ether ether ketone ketone) s were synthesized by polycondensation of each of the three bisphenols, viz., 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene) bisphenol, 4,4{\textquoteright}-(octa-hydro-2(1H)-naphthylidene) bis-3-methylphenol, and 4,4{\textquoteright}(octahydro-2(1H)-naphthylidene) bis-3,5-dimethylphenol with 4,4{\textquoteright}-difluorobenzophenone and 1,3-bis(4-fluorobenzoyl) benzene in a mixture of N,N-dimethylacetamide and toluene [1 : 1 (v/v)] in the presence of anhydrous potassium carbonate. Inherent viscosities of poly(ether ether ketone) s and poly (ether ether ketone ketone) s were in the range 0.32-0.80 dL/g and number-average molecular weights were in the range 16,100-55,900 g/mol. Poly(ether ether ketone) s and poly(ether ether ketone ketone) s were soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, and 1-methyl-2-pyrrolidinone at room temperature and could be cast into tough, transparent, and flexible films from their chloroform solutions. Wide angle x-ray diffraction measurements revealed the amorphous nature of poly(ether ether ketone) s and poly (ether ether ketone ketone) s. The glass transition temperature poly(ether ether ketone) s and poly(ether ether ketone ketone) s were in the range 185-251 degrees C. The temperature at 10\% weight loss, determined from thermogravimetric analysis, of poly(ether ether ketone) s and poly(ether ether ketone ketone) s in nitrogen atmosphere was in the range 462-493 degrees C indicating their good thermal stability. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 1607-1613, 2011

}, keywords = {bisphenol, cardo decahydronaphthalene, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.33921}, author = {Honkhambe, Pandurang N. and Pasale, Sharad K. and Bhairamadgi, Nagendra S. and Kumbhar, Kishor P. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI:000297609100003, title = {Porous nitrogen rich cadmium-tetrazolate based metal organic framework (MOF) for H-2 and CO2 uptake}, journal = {Crystal Growth \& Design}, volume = {11}, number = {12}, year = {2011}, month = {DEC}, pages = {5176-5181}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The highly porous nitrogen rich metal organic framework [Cd-3(4-TP)(6)] (Cd-4TP-1) was synthesized solvothermally from the predesigned organic building block 4-tetrazole pyridine (4-TP) and Cd(II) as metal center using DMF as solvent. Cd-4TP-1 has a three-dimensional porous architecture where all the binding sites of Cd(II) are exclusively occupied by the nitrogen atoms from the mu(2)-tetrazolyl group or the pyridyl functionality of the 4-TP ligands. Cd-4TP-1 has Brunauer-Emmett-Teller (BET) and Langmuir surface areas of 472.2 and 728.6 m(2)/g, respectively, and shows 1.1 wt \% H-2 (77 K) and 2.7 mmol/g CO2 uptake (273 K).

}, issn = {1528-7483}, doi = {10.1021/cg201054f}, author = {Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000295128000013, title = {Protic ionic liquid attenuates the deleterious actions of urea on alpha-chymotrypsin}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {38}, year = {2011}, month = {SEP}, pages = {17023-17026}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We present a biocompatible ionic liquid, triethyl ammonium acetate (TEAA), that attenuates the denaturation action of a non-ionic chaotrope, urea, on the industrially relevant proteolytic enzyme alpha-chymotrypsin.

}, issn = {1463-9076}, doi = {10.1039/c1cp22195g}, author = {Attri, Pankaj and Venkatesu, Pannuru and Kumar, Anil and Byrne, Nolene} } @article { ISI:000287277700038, title = {Quantum dot based immunosensor using 3D circular microchannels fabricated in PDMS}, journal = {Biosensors \& Bioelectronics}, volume = {26}, number = {6}, year = {2011}, month = {FEB}, pages = {3050-3053}, publisher = {ELSEVIER ADVANCED TECHNOLOGY}, type = {Article}, address = {OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Microchannel is basic functional component of microfluidic chip and every step-forward of its construction technique has been receiving concern all over the world. The present work describes a novel, rapid and simple fabrication technique for building 3D microchannels in poly(dimethyl siloxane) (PDMS) elastomer. These microchannels were used for rapid detection of antigens (E. coli) by quantum dot (QD) based approach. Luminescent QD (CdTe) were synthesized by aqueous method and characterized using high resolution transmission electron microscopy (HRTEM), fluorescence spectroscopy and X-ray diffraction (XRD). The QDs were functionalized with anti-E. coli antibodies for immuno-detection. The reported process allowed easier and faster method of fabrication of circular 3D micochannels and demonstrated their potential use in an immuno-biosensor device. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Capillary driven flows, Circular microfluidics, Immunosensor, QDs}, issn = {0956-5663}, doi = {10.1016/j.bios.2010.12.017}, author = {Morarka, Amit and Agrawal, Shailaja and Kale, Sonia and Kale, Anup and Ogale, Satishchandra B. and Paknikar, Kishore and Bodas, Dhananjay S.} } @article { ISI:000291908500016, title = {Reply to the comments of vicente et al. on {\textquoteleft}{\textquoteleft}liquid phase oxidation of p-vanillyl alcohol over synthetic co-saponite catalyst{\textquoteright}{\textquoteright} applied clay science (2010), doi:10.1016/j.clay.2010.10.026}, journal = {Applied Clay Science}, volume = {52}, number = {4}, year = {2011}, month = {JUN}, pages = {432}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0169-1317}, doi = {10.1016/j.clay.2011.04.008}, author = {Rode, Chandrashekhar V. and Garade, Ajit C. and Biradar, Narayan S. and Kshirsagar, V. S.} } @article { ISI:000290940400021, title = {Role of doping-induced photochemical and microstructural properties in the photocatalytic activity of InVO4 for splitting of water}, journal = {Journal of Materials Science}, volume = {46}, number = {16}, year = {2011}, month = {AUG}, pages = {5466-5476}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We report in this paper on microstructural, optical and photocatalytic properties of single-phase indium orthovanadates, as a function of doping at lattice sites. The UV-visible spectra of these samples exhibited intense UV-region bands at 250 and 350 nm, besides broad absorption band in visible region (350-700 nm). The wavelength at absorption edge and the intensity of visible absorption showed considerable increase on doping of an impurity, particularly at V or O lattice sites. Also, the samples gave rise to blue-green photoluminescence emission, with overriding bands at ca. 420, 450, 460 and 485 nm, on excitation at 240-420 nm wavelengths. The intensity of these fluorescence bands varied with excitation wavelength and impurity content of a sample. In deviation with several earlier studies, only oxygen and no hydrogen were produced during photocatalytic splitting of water, in the experiments conducted under visible light (\> 395 nm) and at a pH of similar to 6.5. The O-2 yield depended on the dispersed metal co-catalyst, impurity content and the addition of methanol as sacrificial reagent. On the other hand, small quantities of hydrogen and no oxygen were evolved on UV-irradiation of pure water using metal/InVO4. These results are ascribed to flat band potentials and the doping-induced inter-band donor and acceptor charge trapping states of InVO4, the presence of which is revealed by XRD, luminescence and XPS studies. Our study also confirms that the onset of absorption edge may not necessarily correspond to band-to-band energy gap of a semiconducting material. This accounts for some anomalous band gap energies reported earlier for InVO4.

}, issn = {0022-2461}, doi = {10.1007/s10853-011-5489-5}, author = {Rakesh, K. and Khaire, S. and Bhange, Deu S. and Dhanasekaran, P. and Deshpande, Suvarna S. and Awate, S. V. and Gupta, N. M.} } @article { ISI:000291421400015, title = {Selective hydrogenation of chloronitrobenzenes with an MCM-41 supported platinum allyl complex derived catalyst}, journal = {Applied Catalysis A-General}, volume = {399}, number = {1-2}, year = {2011}, month = {MAY}, pages = {117-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A platinuin precatalyst (1) has been prepared by reacting [(eta(3)-C3H5)(4)Pt4Cl4] with surface functionalized MCM-41 with pendant -(CH2)(3)NH(CH2)(2)NH2 groups. For the hydrogenation of o-, m- and p-chloronitrobenzenes to the corresponding chloroanilines, 1 is found to be a highly active catalyst with good selectivities for them-and p-isomers. Its performance is superior to that of its palladium analogue and far superior to that of commercial (5\%) Pt/C or (5\%) Pt/Al2O3. Comparison of solid state and solution NMR data and other evidences indicate that on treatment with the functionalized MCM-41 support; [(eta(3)-C3H5)(4)Pt4Cl4] loses the ally! ligand. XPS data show that in the fresh catalyst Pt is present in the 2+ oxidation state. Based on these and analytical data, co-ordination by surface diamine and hydroxo groups to Pt2+ in 1 is suggested. In the used catalyst both Pt2+ and Pt are present but the amount of metallic platinum is similar to 16\% of the total. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Chloronitrobenzenes, Dehydrohalogenation, heterogeneous catalyst, MCM-41, Selective hydrogenation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.03.044}, author = {Indra, Arindam and Rajamohanan, Pattuparambil R. and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000293419700042, title = {Selectivity tailoring in liquid phase oxidation over MWNT-Mn3O4 nanocomposite catalysts}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {31}, year = {2011}, month = {AUG}, pages = {15440-15448}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Highly selective multiwalled nanotubes (MWNT)-Mn3O4 nano-composite catalyst was designed for liquid phase oxidation of p-cresol, which gave highest selectivity of 90\% to the first step oxidation product, p-hydroxy benzyl alcohol. Mn3O4 nanoparticles and MWNT-Mn3O4 nanocomposites were synthesized by coprecipitation route using mixed precursors under controlled conditions. The phase purity of Mn3O4 and the formation of MWNT-Mn3O4 nanocomposites were confirmed by X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy. High-resolution transmission electron microscopy revealed the selective exposure of (101) and (001) planes of Mn3O4 nanoparticles in the MWNT-Mn3O4 composite, while lowering in oxidizing capacity of MWNT-Mn3O4 nanocomposite confirmed by cyclic voltametry was due to incorporation of electron rich MWNT. Thus, selectivity tuning of the new material (MWNT-Mn3O4 nanocomposite) was found to be due to alteration in both geometric as well as electronic properties. A plausible reaction pathway also has been proposed involving the predominant role of nucleophilic lattice oxygen (O2-) species due to exposure of particular crystal planes giving highest selectivity to p-hydroxy benzyl alcohol.

}, issn = {1932-7447}, doi = {10.1021/jp203318n}, author = {Biswal, Mandakini and Dhas, Vivek V. and Mate, Vivek R. and Banerjee, Abhik and Pachfule, Pradip and Agrawal, Kanika L. and Ogale, Satishchandra B. and Rode, Chandrashekhar V.} } @article { ISI:000287092000033, title = {Self assembled CdLa2S4 hexagon flowers, nanoprisms and nanowires: novel photocatalysts for solar hydrogen production}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {8}, year = {2011}, month = {JAN}, pages = {2624-2631}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report here a new ternary chalcogenide material, cadmium lanthanum sulfide (CdLa2S4) produced using a facile hydrothermal method at 433 K. The effect of the solvent on the morphology of the CdLa2S4 was demonstrated for the first time. The prima facie observations revealed the formation of highly crystalline hexagonal structures in the form of flowers in aqueous medium. The flowers comprise hexagonal columns similar to 300 nm in diameter and 1-1.2 mu m in length. All the hexagonal structures have a sharp tip with a cavity of 10 nm and are almost equal in size. The nanoprisms have an average base size of 35 nm with 35 nm edges, and the nanowires have a diameter of 10-15 nm; both were obtained in methanol. Crystal and electronic structure calculations were performed using the Vienna ab initio simulation package (VASP) based on density functional theory (DFT). Considering the band gap of pristine CdLa2S4 in the visible region (2.3 eV), we have demonstrated CdLa2S4 as a photocatalyst for the production of H-2 under solar light. Nanostructured CdLa2S4 prisms gave the maximum hydrogen production, i.e. 2552 mu mol h(-1). Being a stable ternary nanostructured metal sulfide (with nanohexagons, nanoprisms, nanowires), CdLa2S4 may have other potential prospective applications in solar cells and optoelectronic devices.

}, issn = {0959-9428}, doi = {10.1039/c0jm02890h}, author = {Kale, Bharat B. and Baeg, Jin-Ook and Kong, Ki-jeong and Moon, Sang-Jin and Nikam, Latesh K. and Patil, Kashinath R.} } @article { ISI:000292776300038, title = {Silver nanoparticle studded porous polyethylene scaffolds: bacteria struggle to grow on them while mammalian cells thrive}, journal = {Nanoscale}, volume = {3}, number = {7}, year = {2011}, month = {JUN}, pages = {2957-2963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silver nanoparticle studded scaffolds were prepared by exploiting the Ag+ ion reducing activity of sophorolipids-a class of {\textquoteleft}glycolipids{\textquoteright} that cap the ensuing nanoparticles as well. To achieve this, the porous polyethylene scaffolds are subjected to N-2+H-2 plasma treatment, in the first step. Subsequently the sophorolipids are covalently attached to the amine groups on the polymer surface through simple amide chemistry to yield sophorolipid grafted polymer scaffolds. These are then exposed to Ag+ ions under appropriate conditions leading to the formation of silver nanoparticles immobilized on the polymer scaffolds. It has been found that while bacteria do not survive on these silver studded scaffolds, CHO-K1 cells thrive on them making them good candidates for tissue engineering and bio-implant applications.

}, issn = {2040-3364}, doi = {10.1039/c1nr10154d}, author = {D{\textquoteright}Britto, Virginia and Kapse, Harsha and Babrekar, Harshada A. and Prabhune, Asmita and Bhoraskar, S. V. and Premnath, V. and Bhagavatula L. V. Prasad} } @article {42576, title = {Solution-processed heterojunction solar cells based on p-type PbS quantum dots and n-type Bi2S3 nanocrystals}, journal = {Advanced Materials}, volume = {23}, year = {2011}, month = {AUG}, pages = {3712{\textendash}3717}, abstract = {

Bi2S3 nanocrystals are employed as an n-type, non-toxic, inorganic, solution-processed semiconductor in thin film solar cells. The first solution processed-inorganic p-n junction based on p-type PbS QDs and n-type Bi2S3 nanocrystals with both phases contributing to photocarrier generation is demonstrated. The reported devices show a power conversion efficiency of 1.6\% for 860 nm PbS QDs and over 1\% for 1300 nm PbS QDs.

}, doi = {10.1002/adma.201101399}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Konstantatos, Gerasimos} } @article { ISI:000289050100049, title = {Solvothermal synthesis, structure, and properties of metal organic framework isomers derived from a partially fluorinated link}, journal = {Crystal Growth \& Design}, volume = {11}, number = {4}, year = {2011}, month = {APR}, pages = {1215-1222}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solvothermal reactions of Cu(NO3)(2) center dot 3H(2)O with 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba) and terminal monodentate ligand 3-methyl pyridine (3-picoline/3-mepy) in the presence of N, N-dimethyl formamide (DMF) and N,N-diethyl formamide (DEF) solvents gave rise to two structurally different two-dimensional (2D) fluorinated metal organic frameworks (F-MOFs). The effect of the choice of solvent has been clearly reflected in the structures obtained. The F-MOFs reported in this paper are formulated as [Cu-2(hfbba)(2)(3-mepy)(2)] center dot (DMF)(2)(3-mepy) (F-MOF-4), [Cu-2(hfbba)(2)(3-mepy)(2)] (Cu-F-MOF-4B), and [Zn-2(hfbba)(2)(3-mepy)(2)] center dot (3-mepy) (Zn-F-MOF-4B) which displays interesting 2D structures with and without interdigitation depending on the solvent used. The structures of these F-MOFs have been determined by X-ray crystallography and further identified by IR spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The effect of interdigitation has been reflected in the gas adsorption and magnetic properties of these F-MOFs. These F-MOFs also show comparable H-2 and CO2 uptake depending on their structural variation. Temperature-dependent magnetic susceptibility measurements over a wide range of temperatures exhibit dominantly short-range antiferromagnetic behavior, with weak ferromagnetic behavior showing up at very low temperatures, which is evident from opening of the hysteresis loop with a finite value of coercivity in both F-MOF-4 and Cu-F-MOF-4B. We observed a smaller value of mu(eff) per Cu atom and coercivity in Cu-F-MOF-4B than the F-MOF-4 due to relatively larger distances between the neighboring dicopper paddlewheel secondary building unit.

}, issn = {1528-7483}, doi = {10.1021/cg101414x}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000296659000032, title = {Strong photo-response in a flip-chip nanowire p-Cu2O/n-ZnO junction}, journal = {Nanoscale}, volume = {3}, number = {11}, year = {2011}, month = {OCT}, pages = {4706-4712}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cu2O nanoneedles are synthesized on a copper substrate by a simple anodization and reducing ambient annealing protocol. ZnO nanorods are grown on ITO coated glass by a low temperature chemical route. The electronic and photo-response properties of the p-Cu2O/n-ZnO flip-chip heterojunction are then studied and analyzed. We show that the I-V characteristic is rectifying and the junction exhibits a good photoresponse (similar to 120\% under 1 V reverse bias) under AM 1.5 (1 Sun) illumination. This nano-heterojunction photo-response is far stronger as compared to that of a pulsed laser deposited thin film p-Cu2O/n-ZnO heterojunction, which can be attributed to higher junction area in the former case.

}, issn = {2040-3364}, doi = {10.1039/c1nr10665a}, author = {Deo, Meenal S. and Mujawar, Sarfraj and Game, Onkar S. and Yengantiwar, Ashish and Banpurkar, Arun G. and Kulkarni, Sneha and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000296264700024, title = {Structural and gas adsorption study of a two-dimensional copper-tetrazole based metal-organic framework}, journal = {Current Science}, volume = {101}, number = {7}, year = {2011}, month = {OCT}, pages = {894-899}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A new two-dimensional (2D) metal organic framework, Cu-1(4-TBA)(1)(DMBP)(1).DMF (Cu-TBA-3), has been synthesized under solvothermal condition from transition metal cation Cu(II), predesigned ligand 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and coligand 4,4{\textquoteright}-dimethy1-2,2{\textquoteright}-bipyridine (DMBP). The structure has been determined by single crystal X-ray crystallography which shows layered 2D structure with square shaped one-dimensional channels. Cu-TBA-3 shows 0.69 wt\% H-2 (at 77 K, 1 atm) and 1.65 mmol/g CO2 (at 298 K, 1 atm) uptake.

}, keywords = {CO2 capture, Hydrogen storage, metal-organic frameworks, microporous materials}, issn = {0011-3891}, author = {Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000285735100021, title = {Structural and selective gas adsorption studies of polyoxometalate and tris(ethylenediamine) cobalt(III) based ionic crystals}, journal = {Crystal Growth \& Design}, volume = {11}, number = {1}, year = {2011}, month = {JAN}, pages = {139-146}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Seven new ionic solids built on polyoxometalate anions and [Co(en)(3)](3+) cations, namely, [Co(en)(3)Mo(8)O(26)(H(3)O)-(Cl)](DMF)(4)(H(2)O) (Co-Mo(8)-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DMF (Co-W(12)P-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)P-DEF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 5.5DMF (Co-Mo(12)P-DMF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 6DEF (Co-Mo(12)P-DEF), [alpha-SiW(12)O(40)]-[Co(en)(3)](3/2)[Cl](1/2)center dot 6DMF center dot 3H(2)O (Co-W(12)Si-DMF), and [alpha-SiW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)Si-DEF), have been synthesized from nonaqueous (DMF/DEF) media and characterized by single-crystal X-ray diffraction. We attempt to understand if [Co(en)(3)](3+) cations used in these reaction systems play a crucial role in controlling the assembly of these crystals. These ionic solids, after removal of the DMF or DEF molecules, are found to exhibit size selective H(2) adsorption properties over N(2). The amount of hydrogen adsorption was influenced by POM anion types and their orientations. CoMo(12)P-DEF has the highest (0.9 wt \%) H(2) uptake, and CoW(12)P-DEF has the lowest (0.4 wt \%) uptake among the series when the adsorbate pressure approached 1 atm.

}, issn = {1528-7483}, doi = {10.1021/cg101201b}, author = {Dey, Chandan and Das, Raja and Pachfule, Pradip and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000291294100029, title = {Structural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks}, journal = {Chemistry of Materials}, volume = {23}, number = {11}, year = {2011}, month = {JUN}, pages = {2908-2916}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis, structure, and gas adsorption properties of three Metal Organic Frameworks (MOFs) synthesized from predesigned ligands 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and 2-fluoro-4-(1H-tetrazole-5-yl)benzoic acid (2F-4-TBA) along with Cu(II) as an metal precursor has been reported. Among these MOFs, Cu-9(4-TBA)(10)(C2H5OH)(2) (Cu-TBA-1) and Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) are structural isomers. Whereas, Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) and Cu-2(2-F-4-TBA)(2)(DMF)(2) (Cu-TBA-2F) have similar crystal structure. N-2 adsorption isotherms of the activated sample of Cu-TBA-1 and -2 exhibit types-I sorption behavior with a Langmuir and Brunauer-Emmett-Teller (BET) surface area of 686, 402 m(2)/g and 616, 356 m(2)/g, respectively. It is noteworthy that Cu-TBA-1 and -2 adsorbs 1.16 and, 1.54 wt \% H-2, while Cu-TBA-2F adsorbs 0.67 wt \% at 77 K and 1 atm. On the other hand, Cu-TBA-1 and -2 adsorb 3.08 and 2.54 mmol/g, while Cu-TBA-2F adsorbs 1.27 mmol/g of CO2 at 298 K and 1 bar pressure. H-2 adsorption sites in Cu-TBA-2 and -2F have been analyzed by molecular simulation.

}, keywords = {CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0897-4756}, doi = {10.1021/cm2004352}, author = {Pachfule, Pradip and Chen, Yifei and Sahoo, Subash Chandra and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000289710700005, title = {Structural, magnetic, and gas adsorption study of a series of partially fluorinated metal-organic frameworks (HF-MOFs)}, journal = {Inorganic Chemistry}, volume = {50}, number = {9}, year = {2011}, month = {MAY}, pages = {3855-3865}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Four new partially fluorinated metal organic frameworks (HF-MOFs) have been synthesized under different solvothermal conditions (H2O or dimethylformamide (DMF)) from transition metal cations [Co2+ and Mn2+], 3-methyl pyridine (3-mepy) and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba), to determine the influence of reaction conditions on the formation of MOFs. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. HF-MOFs synthesized from H2O [Co-HFMOF-W, Co(liffiba)(3-mepy)(H2O) and Mn-HFMOF-W, Mn(hfbba)(3-mepy)(H2O)] contain three-dimensional connectivity whereas HF-MOFs synthesized from DmF Co-HFMOF-D, [Co-2(hfbba)(2)(3-mepy)(2)]center dot(DMF)(3) and Mn-HFMOE-D, [Mn-2(hfbba)(2)(3-mepy)]center dot(H2O) are two-dimensional in nature. Co-HFMOF-W and Mn-HFMOF-W are iso-structural polymeric materials. Thermal gravimetric analysis performed on as-synthesized HP-MOFs revealed that these compounds have high thermal stability (similar to 350 degrees C). The continuous decrease of the chi T product with decreasing T for Co-HFMOF-D and Co-HFMOF-W respectively indicates the presence of antiferromagnetic exchange interaction between two Co2+ (S = 3/2) metal centers within a duster.

}, issn = {0020-1669}, doi = {10.1021/ic1017246}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000287175600029, title = {Structure and gas sorption behavior of a new three dimensional porous magnesium formate}, journal = {Inorganic Chemistry}, volume = {50}, number = {4}, year = {2011}, month = {FEB}, pages = {1392-1401}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new three-dimensional magnesium formate polymorph, namely, gamma-[Mg-3(O2CH)(6)] has been synthesized via in situ formate anion generation method. gamma-Mg-formate crystallizes in space group Pbcn, and structural determination by X-ray single crystal diffraction reveals a three-dimensional network of Mg2+ linked by formate anions. All formate anions possess similar binding mode to the metal center with one oxygen of a particular formate anion binds to one metal center (mu(1) oxygen) and other oxygen binds to two metal centers (mu(2) oxygen). N-2 adsorption studies indicate that the framework displays permanent porosity. The specific surface area of gamma-Mg-formate (BET, 120 m(2) gm(-1)) is lower than the alpha- polymorph (BET, 150 m(2) gm(-1)). However, the initial hydrogen uptake of gamma-Mg-formate reached almost 1.0 wt \% when the adsorbate pressure approached 760 Torr at 77 K. This is higher than the hydrogen uptake of alpha-Mg-formate (0.6 wt \%). gamma-Mg-formate, shows a moderate affinity and capacity for CO2 (3.4 angstrom kinetic diameter) at 298 K. The CO2 uptake at 760 Torr is 2.01 mmol gm(-1)(47.0 cc gm(-1)). Although this CO2 uptake is somewhat modest, it compares well with the CO2 uptake of several Mg-MOFs and ZIFs reported in the literature.

}, issn = {0020-1669}, doi = {10.1021/ic102057p}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000294982800015, title = {Surfactant tunable hierarchical nanostructures of CdIn2S4 and their photohydrogen production under solar light}, journal = {International Journal of Hydrogen Energy}, volume = {36}, number = {18}, year = {2011}, month = {SEP}, pages = {11628-11639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The hierarchical nanostructures of CdIn2S4 were selectively prepared through hydrothermal process in the presence of different surfactants. Structural study demonstrated existence of cubic spinel structure and micro structural study shown a pretty marigold flower like morphology without any surfactant. The effect of surfactants on the morphology and microstructure of CdIn2S4 has been studied by using Polyvinyl pyrrolidone (PVP) and Cetyltrimethyl ammonium bromide (CTAB) as a surfactants. The CdIn2S4 bipyramids with length of 0.7-1 mu m have been obtained using PVP. Interestingly, the nanopetals (thin and transparent) of CdIn2S4 are self assembled into hollow spheres in the presence of CTAB. Considering the importance of these unique nanostructures, the growth mechanism has also been proposed. The optical properties demonstrated the band gap in the range of 2.12-2.29 eV which is well within the visible region. In this contest, photocatalytic activity for hydrogen production using the above nanostructures under visible light was also demonstrated. The prima-fascia observations shows that the bipyramidal CdIn2S4 exhibit excellent photocatalytic activity for hydrogen production (3238 mu molh(-1)) than other nanostructures. Being a nanostructured semiconductor chalcogenide with a good stability will also have potential applications in solar cells and LED. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Bipyramids, CdIn2S4, Hydrogen generation, hydrothermal, Self-assembled}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.06.061}, author = {Bhirud, Ashwini P. and Chaudhari, Nilima and Nikam, Latesh and Sonawane, Ravindra and Patil, Kashinath and Baeg, Jin-Ook and Kale, Bharat} } @article {42451, title = {Synthesis and application of a chiral diborate}, journal = {Journal of Organic Chemistry}, volume = {76}, year = {2011}, month = {MAR}, pages = {2324{\textendash}2327}, abstract = {

A chiral diborate with different counterions is reported whose structure was unambiguously confirmed by X-ray analysis. This chiral dianion was used in the resolution of trans-1,2-diamines and also as a chiral shift reagent for NMR analysis of triphenylphosphonium salts.

}, doi = {10.1021/jo102559s}, author = {Loewer, Yvonne and Weiss, Christine and Biju, Akkattu T. and Frohlich, Roland and Glorius, Frank} } @article { ISI:000290038000005, title = {Synthesis and characterization of soluble polyamides from bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether and various diacids}, journal = {Polymer Bulletin}, volume = {66}, number = {9}, year = {2011}, month = {MAY}, pages = {1207-1218}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

New aromatic diamine containing preformed amide, ether, and methylene; bis-[(4{\textquoteright}-aminobenzyl)-4-benzamide] ether (BABE), was synthesized and characterized by FT-IR, NMR, and mass spectrometry. Aromatic-aliphatic polyamides were prepared from BABE with aliphatic/aromatic diacids via Yamazaki{\textquoteright}s polymerization. The polyamides were characterized by FT-IR, (1)H NMR, inherent viscosity [eta(inh)], solubility tests, differential scanning calorimetry [DSC], thermogravimetric analysis [TGA], and X-ray diffraction [XRD]. Polyamides had inherent viscosities 0.35-0.84 dL/g, soluble in aprotic polar solvents like N-methyl-2-pyrrolidone, N, N-dimethyl acetamide and dimethyl sulphoxide containing LiCl due to an amorphous to partially crystalline morphology; as XRD patterns indicated. DSC analysis of polyamides showed glass transition temperatures 166-268 A degrees C. Polyamides showed high thermal stability as they did not degrade below 300 A degrees C, had 10\% weight loss temperature higher than 375 A degrees C, and the char yields at 900 A degrees C were 22-55\%; indicating potential applications as engineering materials.

}, keywords = {Aryl-ether and methylene linkages, Bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether, Direct phosphorylative polycondensation, Soluble aromatic-aliphatic polyamides, Thermal properties}, issn = {0170-0839}, doi = {10.1007/s00289-010-0344-4}, author = {Patil, A. S. and Sayyed, M. M. and Bhairamadgi, Nagendra S. and Han, Sung-Hwan and Maldar, Noormahamad N.} } @article { ISI:000283805600011, title = {Synthesis and characterization of thermo-sensitive graft copolymer of carboxymethyl guar and poly(N-isopropylacrylamide)}, journal = {Carbohydrate Polymers}, volume = {83}, number = {1}, year = {2011}, month = {JAN}, pages = {74-80}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Thermo-responsive graft copolymers of carboxymethyl guar [CMG] and semitelechelic poly(N-isopropylacrylamide) [PNIPAm] were synthesized by coupling reaction between them using a water-soluble coupling agent namely, 1-(3-(dimethylamino) propyl)-3-ethyl carbodiimide hydrochloride [EDC]. The incorporation of PNIPAm into CMG was confirmed by FT-IR and NMR spectroscopy. The graft copolymers, CMG-g-PNIPAm showed enhanced viscosity as compared to the unmodified CMG in the semi-dilute regime. Due to the presence of a LCST side chains [PNIPAm], the graft copolymers exhibited thermo-responsive nature with respect to temperature which was investigated using pyrene fluorescence probe studies. Although the thermo-responsive property was observed, the thermo-thickening behavior was not seen in these polymers. The graft copolymers in the semi-dilute regime (C(p) approximate to 10-20 g/L) showed viscoelastic properties and the relaxation time, tau, could be obtained from the crossover of frequency (oh) of storage modulus (G{\textquoteright}) and loss modulus (G {\textquoteleft}{\textquoteright}) in the oscillatory experiments. The activation energy {\textquoteleft}E(a){\textquoteright} of associations was investigated using the time temperature superpsition (TTS). These thermo-responsive polymers along with the biodegradability of CMG can have potential application as industrial thickening agent. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxymethyl guar, Poly(N-isopropylacrylamide), Thermo-sensitivity and graft copolymer}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2010.07.023}, author = {Gupta, Nivika R. and Ghute, Pallavi P. and Badiger, Manohar V.} } @article { ISI:000286633000031, title = {Synthesis and photopolymerization kinetics of linear alicyclic urethane acrylate macromonomer in presence of reactive diluents}, journal = {Journal of Materials Science}, volume = {46}, number = {7}, year = {2011}, month = {APR}, pages = {2221-2228}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

This study deals with the photopolymerization of a macromonomer in the presence of reactive diluents using Photo Differential Scanning Calorimetry or Photo DSC. The kinetic profiles of these systems showed that the rate of photopolymerization rapidly increases at very early stages of the reaction. The rate of reaction was further found to increase with the addition of crosslinking agents. The addition of trifunctional crosslinking agent to the macromonomeric formulation resulted in a higher polymerization rate and conversion than that of a difunctional crosslinking agent. From the heat flow profiles, the kinetic parameters such as induction time, time to attain peak maximum, rate of maximum polymerization, and final conversion were noted for all the formulations. The initiation of photopolymerization was found to depend on the functionality while the in situ viscosity controlled the time scale for reaction diffusion which resulted in varying levels of conversions. Other parameters such as effect of temperature and concentration of photoinitiator on photocuring kinetics are also discussed.

}, issn = {0022-2461}, doi = {10.1007/s10853-010-5060-9}, author = {Harikrishna, Reghunathan and Bhosle, Sonali Madhavrao and Ponrathnam, S. and Rajan, C. R.} } @article { ISI:000294506200003, title = {Synthesis and structural characterization of a solvated dimorph of a hydrazonato-oxovanadium(v) complex with [OV(mu-O)VO] core}, journal = {Journal of the Indian Chemical Society}, volume = {88}, number = {7}, year = {2011}, month = {JUL}, pages = {937-941}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

In this paper we report the synthesis and structural characterization of a different monoclinic variety of the title complex [V2O3(L)(2)], incorporating the doubly deprotonated benzoyl hydrazone of 5-chloro-2-hydroxyacetophenone (H2L) with P2(1)/c space group that showed some differences in bonding patterns in the solid state with respect to its another monoclinic variety with C2/c space group reported earlier.

}, keywords = {crystal structure, dimorphism, hydrazone complex, Oxovanadium(v) complex}, issn = {0019-4522}, author = {Mondal, Bipul and Banerjee, Rahul and Ghosh, Tapas} } @article { ISI:000288141700012, title = {Synthesis, characterisation of polymer-supported palladium-2-methylimidazole complex catalyst for the hydrogenation of aromatic nitro compounds}, journal = {Journal of Chemical Research}, number = {2}, year = {2011}, month = {FEB}, pages = {112-115}, publisher = {SCIENCE REVIEWS 2000 LTD}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

A polymer-supported palladium-2-methylimidazole complex was synthesised and characterised by various physicochemical methods. The complex was successfully used as a catalyst for the hydrogenation of nitrobenzene and a few of its derivatives under ambient conditions. Results reveal that the electronic as well as the steric effects of the substitutent control the rate of hydrogenation of the nitro group in the studied nitro compounds. The kinetics of hydrogenation and the reusability of the catalyst were also studied.

}, keywords = {aromatic nitro compounds, Hydrogenation, polymer-supported complex catalyst, transition metal complexes}, issn = {1747-5198}, doi = {10.3184/174751911X556855}, author = {Velua, Udayakumar and Stanislaus, Alexander and Virupaiah, Gayathri and Shivakumaraiah and Patil, Kashinath Rangu and Balasubramanian, Viswanathan} } @article { ISI:000285956600023, title = {Synthesis, electronic structure, DNA and protein binding, DNA cleavage, and anticancer activity of fluorophore-labeled copper(II) complexes}, journal = {Inorganic Chemistry}, volume = {50}, number = {2}, year = {2011}, month = {JAN}, pages = {545-558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two mononuclear fluorophore-labeled copper(II) complexes [Cu(nip)(acac)](+) (2) and [Cu(nip)(2)](2+) (3), where fluorophore is 2-(naphthalen-1-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (nip) (1) and acac is acetylacetone, have been synthesized aid characterized by various techniques. The ligand 1 and complex 2 are structurally characterized by single-crystal X-ray diffraction. The coordination geometries around the copper are square planar in solid as well as solution state as evidenced by electron paramagnetic resonance (EPR) spectroscopy. The density functional calculations carried out on 1-3 have shown that electron-rich regions in the highest occupied orbital are localized on the naphthalene end partly on the phenanthroline moiety. Both complexes 2 and 3 in dimethyl sulfoxide (DMSO) exhibit near square planar structure around the metal ion in their ground state. Time-dependent density functional theory (TD-DFT) calculations reveal that Cu(II) ion in complex 2 shows tetrahedral coordination around the metal while 3 retains its square planar geometry in the lowest excited state. The interaction of complexes with calf-thymus DNA (CT DNA) has been explored by using absorption, emission, thermal denaturation, and viscosity studies, and the intercalating mode of DNA binding has been proposed. The complexes cleave DNA oxidatively without any exogenous additives. The protein binding ability has been monitored by quenching of tryptophan emission in the presence of complexes using bovine serum albumin (BSA) as model protein. The compounds showed dynamic quenching behavior. Further, the anticancer activity of the complexes on MCF-7 (human breast cancer), HeLa (human cervical cancer), HL-60 (human promyelocytic leukemia), and MCF-12A (normal epithelial) cell lines has been studied. It has been observed that 3 exhibits higher cytotoxicity than 2, and the cells undergo apoptotic cell death.

}, issn = {0020-1669}, doi = {10.1021/ic101534n}, author = {Bhat, Satish S. and Kumbhar, Anupa A. and Heptullah, Hussain and Khan, Ayesha A. and Gobre, Vivekanand V. and Gejji, Shridhar P. and Puranik, Vedavati G.} } @article { ISI:000291293600027, title = {Synthesis of cube-shaped gold nanostructures by electron irradiation}, journal = {Materials Letters}, volume = {65}, number = {11}, year = {2011}, month = {JUN}, pages = {1605-1607}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The needle-like gold nanostructures were synthesized by using chloroauric acid (HAuCl(4)) as a metal precursor and sodium borohydride (NaBH(4)) as the reducing agent. These needle-like nanostructures of gold were irradiated with high energy electrons (E-6 MeV, phi similar to 10(12) e cm(-2) s(-1)). The pre- and post-irradiated gold nanostructures were characterized by Scanning Electron Microscopy (SEM), UV-vis spectroscopy, X-ray Diffraction (XRD) and contact angle measurement (GBX-Model Digidrop) techniques. The results of the SEM revealed that after electron irradiation, the needle-like gold structures got fragmented into identical cube-shaped gold nanostructures, though of different sizes. The XRD analysis indicated that the average crystallite size of the gold nanostructures remained unchanged even after irradiation with high energy electrons. A glass surface showed hydrophilic behavior when coated with needle-like nanostructures and became ultra hydrophilic when coated with cube-shaped gold nanostructures. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Gold nanostructures, High energy electron irradiation, Nanostructured materials, Radiation damage, Surfaces, Ultra hydrophilic surfaces}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.02.053}, author = {Dhumale, Vinayak A. and Gangwar, Rajesh K. and Shah, Preeti V. and Bhoraskar, Vasant N. and Mulla, Imtiaz S. and Sharma, Rishi B.} } @article { ISI:000286577400023, title = {Synthesis of molluscicidal agent cyanolide a macrolactone from D-(-)-pantolactone}, journal = {Journal of Organic Chemistry}, volume = {76}, number = {3}, year = {2011}, month = {FEB}, pages = {963-966}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient synthesis of potent molluscicidal agent cyanolide A, a glycosidic 16-membered macrolide, starting from D-(-)-pantolactone is reported. Highly stereoselective aldol, oxa-Michael addition, and Yamaguchi macrolactonization are the key steps in the present synthesis.

}, issn = {0022-3263}, doi = {10.1021/jo101782q}, author = {Hajare, Atul K. and Ravikumar, Velayutham and Khaleel, Shaik and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000293436100018, title = {Synthesis of novel dihydrooxazine and oxazoline based sugar hybrids from sugar azides}, journal = {Tetrahedron Letters}, volume = {52}, number = {33}, year = {2011}, month = {AUG}, pages = {4313-4315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convenient one-step method for the synthesis of novel dihydrooxazine and oxazoline based sugar hybrids is reported starting from the readily accessible sugar azides and aldehydes. We have used Aube{\textquoteright}s protocol to achieve this transformation. The resulting glycoconjugates could be used to increase the diversity on the sugar backbone and may find applications as potential glycomimetics and in drug discovery. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydrooxazine, Glycoconjugate, Hydroxy azide, Oxazoline, Sugar azide, Sugar hybrids}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.035}, author = {Kurhade, Suresh E. and Ravula, Sudhir and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article {42720, title = {Synthesis of peptides and pyrazines from beta-aminoalcohols via extrusion of H2 catalyzed by ruthenium pincer complexes. ligand controlled selectivity}, journal = {Angewandte Chemie}, volume = {123}, year = {2011}, month = {OCT}, pages = {12448{\textendash}12452}, abstract = {

Bitte w{\"a}hlen: Die Wahl des Katalysators, eines Ru-Pinzettenkomplexes, bestimmt, ob Peptide oder Pyrazine aus β-Aminoalkoholen entstehen: Der PNN-Komplex 1 f{\"u}hrt, je nach Substituent R (siehe Schema), zu linearem Polyalanin oder zu cyclischen Dipeptiden, der PNP-Komplex 2 katalysiert die Bildung von Pyrazinen. Die Reaktionen finden in homogener L{\"o}sung unter neutralen Bedingungen statt.

}, doi = {10.1002/ange.201105876}, author = {Gnanaprakasam, Boopathy and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000288218300045, title = {Synthesis of single crystalline CdS nanocombs and their application in photo-sensitive field emission switches}, journal = {Nanoscale}, volume = {3}, number = {3}, year = {2011}, month = {JAN}, pages = {1078-1083}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Single crystalline CdS nanocombs were synthesized by a thermal evaporation route. The photo-sensitive field emission current shows a reproducible switching behavior, with a rise in current level of nearly five times the initial preset value of similar to 1 mu A. An ultra low turn-on field, required to draw an emission current density of similar to 0.1 mu A cm(-2) (100 nA), is found to be similar to 0.26 V mu m(-1) (260 V), which is much lower than the reported values for various other CdS nanostructures. Upon illumination with visible light the CdS nanocombs act as a photo field emission switch. At an applied field of similar to 0.65 V mu m(-1) the current densities are observed to be similar to 14.6 mu A cm(-2) and similar to 26.9 mu A cm(-2), without and with light illumination, respectively. The average emission current is seen to be stable over the duration of measurement for two preset values. The high sensitivity and fast response in the visible range indicates that the CdS nanocombs can be used as a photo-sensitive field emitting switch in device applications, and also in pulsed electron beam technology.

}, issn = {2040-3364}, doi = {10.1039/c0nr00659a}, author = {Chavan, Padmakar G. and Badadhe, Satish S. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000292113700028, title = {Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)}, journal = {Chemical Communications}, volume = {47}, number = {27}, year = {2011}, month = {JUN}, pages = {7674-7676}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three new metal-organic framework isomers have been synthesized by using the organic linker 5-triazole isophthalic acid and Mn(NO3)(2)center dot xH(2)O. Structural conversions from non-porous to porous MOFs due to the template effect have been observed. The cross-sectional pore apertures of the resulting Mn-MOFs are comparable to the molecular dimensions of the template (pyrazine and 4,40-bipyridine). The periodic increased porosity in Mn-MOFs depending on the size of the template used has been further confirmed by the CO2 adsorption isotherms.

}, issn = {1359-7345}, doi = {10.1039/c1cc12278a}, author = {Panda, Tamas and Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000292479300036, title = {Total synthesis of isofregenedadiol}, journal = {Organic Letters}, volume = {13}, number = {14}, year = {2011}, month = {JUL}, pages = {3690-3693}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of isofregenedadiol, a bicyclic diterpene isolated from H. Viscosum, is reported starting from a D-(-)-pantolactone chiral pool. A one-pot quadruple reaction sequence comprising an enyne ring-closing metathesis/cross-metathesis/Diels-Alder/aromatization for the construction of a target skeleton Is the highlight of the present synthesis.

}, issn = {1523-7060}, doi = {10.1021/ol201336x}, author = {Kurhade, Suresh E. and Sanchawala, Abbas I. and Ravikumar, Velayutham and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000286868600075, title = {Toward an understanding of the molecular level properties of ziegler-natta catalyst support with and without the internal electron donor}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {5}, year = {2011}, month = {FEB}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two Ziegler-Natta catalysts supported on molecular adducts, namely, MgCl2 center dot 6EtOH (ME) and MgCl2 center dot 5EtOH center dot EtOOCPh (Est-ME), have been prepared. A systematic effort has been made to unravel the molecular level structure property relationships of the catalysts and adducts. Ethylbenzoate is an internal electron donor, and its in situ formation through EtOH+PhCOCl coupling is successfully achieved. The above adduct has been treated with TiCl4, and the resultant catalyst (Ti/Est-ME) is evaluated for ethylene polymerization activity. Rand C-13 CP/MAS NMR of Est-ME (Ti/Est-ME) show carbonyl features at 1730 (1680) cm(-1) and 169 (170) delta, respectively, providing direct support for the presence of ester as an integral part. In spite of low surface area, Ti/Est-ME gives higher yield for ethylene polymerization than the one derived from ME. The results indicate that electronic environment is more important than surface area or any other single factor in determining the polymerization activity.

}, issn = {1932-7447}, doi = {10.1021/jp1078289}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Jha, Ratnesh Kumar and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Sarma, Krishna and Padmanabhan, Sudhakar and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @conference {42783, title = {Transfer of technology (ToT) document of ethyl silicate-32}, booktitle = {Transfer of Technology (ToT)/ Technical Documents}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @conference {42789, title = {Transfer of technology (ToT) document of phenol-aniline-formaldehyde (sf-342a) resins}, booktitle = {Transfer of technology (ToT) document}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @article {42722, title = {Unprecedented catalytic hydrogenation of urea derivatives to amines and methanol}, journal = {Angewandte Chemie}, volume = {123}, year = {2011}, month = {DEC}, pages = {11906{\textendash}11909}, abstract = {

Indirekte CO2-Hydrierung: Eine Hydrierung von Harnstoffen zu Aminen und Methanol (siehe Bild) wird durch einen RuII-Pinzettenkomplex mit dreiz{\"a}hnigem bipyridinbasiertem PNN-Liganden katalysiert und verl{\"a}uft unter milden, neutralen Bedingungen bei einem H2-Druck von 13.6 atm. Da sich Harnstoffderivate ausgehend von CO2 erhalten lassen, erm{\"o}glicht dieser Ansatz die indirekte Hydrierung von Kohlendioxid zu Methanol.

}, doi = {10.1002/ange.201106612}, author = {Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article {42522, title = {Urea/thiourea derivatives and Zn(II)-DPA complex as receptors for anionic recognition-a brief account}, journal = {Journal of Chemical Sciences}, volume = {123}, year = {2011}, month = {OCT}, pages = {175{\textendash}186}, abstract = {

This review covers few examples of anion complexation chemistry, with a special focus on urea/thiourea-based receptors and Zn(II)-dipicolyl amine-based receptors. This article specially focuses on structural aspects of the receptors and the anions for obtaining the desire specificity along with an efficient receptor{\textendash}anion interaction. Two types of receptors have been described in this brief account; first one being the strong hydrogen bond donor urea/thiourea derivatives, which binds the anionic analytes through hydrogen bonded interactions; while, the second type of receptors are coordination complexes, where the coordination of the anion to the metal centre. In both the cases the anion binding modulate the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and thereby the spectroscopic response. Appropriate choice of the signalling unit may allow probing the anion binding phenomena through visual detection.

}, doi = {10.1007/s12039-011-0151-y}, author = {Das, Priyadip and Mahato, Prasenjit and Ghosh, Amrita and Mandal, Amal Kumar and Banerjee, Tanmay and Saha, Sukdeb and Das, Amitava} } @article { ISI:000299176700007, title = {1,2-Benzoquinones in Diels-Alder reactions, dipolar cycloadditions, nucleophilic additions, multicomponent reactions and more}, journal = {Chemical Society Reviews}, volume = {41}, number = {3}, year = {2012}, month = {SEP}, pages = {1050-1059}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A brief account of the recent developments in the chemistry of 1,2-benzoquinones is presented in this tutorial review. The title compounds exhibit commendable versatility in both Diels-Alder and dipolar cycloaddition reactions. They have also been employed as electrophilic reaction partners in nucleophile-triggered catalytic processes and related multicomponent reactions. These, along with other reactions described here, lead to the synthesis of densely functionalised carbocyclic and heterocyclic frameworks that are otherwise difficult to access.

}, issn = {0306-0012}, doi = {10.1039/c1cs15186j}, author = {Nair, Vijay and Menon, Rajeev S. and Biju, Akkattu T. and Abhilash, K. G.} } @article { ISI:000311966300017, title = {1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {68}, number = {12}, year = {2012}, month = {DEC}, pages = {O485-U254}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In the title compound, C21H18N2OS2, a strong intramolecular N-H center dot center dot center dot O hydrogen bond [N center dot center dot center dot O = 2.642 (3) angstrom] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N-H center dot center dot center dot S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

}, issn = {0108-2701}, doi = {10.1107/S0108270112045167}, author = {Bhattacharjee, Tirtha and Gogoi, Prasanta and Puranik, Vedavati G. and Gawade, Rupesh L. and Barman, Pranjit} } @article { ISI:000311056800010, title = {3D Hexaporous carbon assembled from single-layer graphene as high performance supercapacitor}, journal = {Chemsuschem}, volume = {5}, number = {11}, year = {2012}, month = {OCT}, pages = {2159-2164}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Electrochemistry, Energy storage, graphene, porous materials, Supercapacitors}, issn = {1864-5631}, doi = {10.1002/cssc.201200421}, author = {Yadav, Prasad and Banerjee, Abhik and Unni, Sreekuttan and Jog, Jyoti Prakash and Kurungot, Sreekumar and Ogale, Satishchandra} } @article { ISI:000307972400024, title = {Adsorption of methylene blue using green pea peels (Pisum sativum): a cost-effective option for dye-based wastewater treatment}, journal = {Biotechnology and Bioprocess Engineering}, volume = {17}, number = {4}, year = {2012}, month = {AUG}, pages = {862-874}, publisher = {KOREAN SOC BIOTECHNOLOGY \& BIOENGINEERING}, address = {KOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA}, abstract = {

Methylene blue (MB), a common toxic dye, is largely discharged from dyeing processes for acrylic, nylon, silk, and woolen fabrics in textile industries. While application of conventional removal processes like chemical precipitation, ion exchange, commercial activated carbon adsorption, etc often become cost-prohibitive, the adsorption of MB by abundantly available green pea peel (GPP: Pisum sativum) derived and acid-treated carbon (GPP-AC) has proved to be a cost-attractive option in the present study. The physicochemical and morphological characteristics of GPP-AC were examined with the help of XRD, BET surface area, SEM, and Fourier transform infrared spectrophotometry ((FT-IR) analysis. The influences of such adsorption parameters as initial dye concentration, pH, contact time, adsorbent dosage, agitation speed, particle size, and temperature were evaluated and optimized. The equilibrium contact time for maximum adsorption of MB on to GPPAC was found to be 7 h. The equilibrium data of the adsorption process were modeled by using the Langmuir, Freundlich, Temkin, and Dubinin-Raduskevich (D-R) isotherms. However, the adsorption equilibrium data were best described by the Langmuir Isotherm model, with a maximum adsorption capacity of 163.94 mg MB/g GPPAC at 30A degrees C.

}, keywords = {Adsorption, Dubinin-raduskevich, Freundlich, green peas peels, Isotherms, Langmuir, Methylene blue, Temkin}, issn = {1226-8372}, doi = {10.1007/s12257-011-0614-5}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, S.} } @article { ISI:000303249400022, title = {Alkali earth metal (Ca, Sr, Ba) based thermostable metal-organic frameworks (MOFs) for proton conduction}, journal = {Chemical Communications}, volume = {48}, number = {41}, year = {2012}, month = {MAR}, pages = {4998-5000}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Three new alkaline earth metal based MOFs have been synthesized by using 4,4{\textquoteright}-sulfobisbenzoic acid (SBBA) and alkaline earth metal salts M(NO3)(2)

}, issn = {1359-7345}, doi = {10.1039/c2cc31135f}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article {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:000304584000001, title = {Amylase gene expression patterns in Helicoverpa armigera upon feeding on a range of host plants}, journal = {Gene}, volume = {501}, number = {1}, year = {2012}, month = {JUN}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Expression of two amylase genes (HaAmy1 and HaAmy2) was studied in Helicoverpa armigera (Hubner; Lepidoptera: Noctuidae) feeding on different host plants and during larval development. Alignment of HaAmy1 and HaAmy2 with other insect amylases shows similarities with known Lepidopteran amylase transcripts. H. armigera amylase gene expression is influenced by the availability of reducing sugars, sucrose and starch content of host plants and further correlates to the pool of reducing sugars in the gut and haemolymph of larvae. HaAmy1 and HaAmy2 during larval development on two host plants viz., maize (cereal) and marigold (ornamental) showed their relative difference. Results support the view that when host plants differ in their macronutrients, relationships of enzymes and substrates are flexible. The present work highlights the distribution of HaAmy1 and HaAmy2 (i) during various stages of insect development (second, fourth and sixth instar, pupa, adult and egg), (ii) in various tissues viz., head, haemolymph, fat body, integument and whole larval body of H. armigera feeding on artificial diet and (iii) in three gut regions of larvae fed on various diets. Complexity in expression of amylase genes suggests existence of mechanisms involved to detect nutrient balance required for avoiding fitness costs and focus their importance in insect nutrition. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Diets, Digestive amylase, Gene expression, Helicoverpa armigera, Nutrition}, issn = {0378-1119}, doi = {10.1016/j.gene.2012.04.010}, author = {Kotkar, Hemlata M. and Bhide, Amey J. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000302437100008, title = {Analysis of AGE modified proteins and RAGE expression in HER2/neu negative invasive ductal carcinoma}, journal = {Biochemical and Biophysical Research Communications}, volume = {419}, number = {3}, year = {2012}, month = {MAR}, pages = {490-494}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Cancer is associated with increased glycolysis and carbonyl stress. In view of this, AGE modified proteins were identified from clinical breast cancer tissue using 2DE-immunoblot and mass-spectrometry. These proteins were identified to be serotransferrin, fibrinogen gamma chain, glycerol-3-phosphate dehydrogenase, lactate dehydrogenase, annexin II, prohibitin and peroxiredoxin 6, which have established role in cancer. Further, RAGE expression and its downstream signaling proteins NADPH oxidase and NF-kB were studied. Role of these AGE modified proteins and RAGE signaling in breast cancer is discussed. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {advanced glycation end products, Breast cancer, RAGE}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.02.039}, author = {Korwar, Arvind M. and Bhonsle, Hemangi S. and Chougale, Ashok D. and Kote, Sachin S. and Gawai, Kachru R. and Ghole, Vikram S. and Koppikar, Chaitanyananda B. and Kulkarni, Mahesh J.} } @article {42449, title = {Arynes in transition-metal-free multicomponent coupling reactions}, journal = {Angewandte Chemie-International Edition}, volume = {51}, year = {2012}, month = {FEB}, pages = {1520{\textendash}1522}, abstract = {

Let{\textquoteright}s couple together! The multicomponent reactions involving arynes offer direct access to unusual heterocyclic scaffolds and 1,2-disubstituted arenes. This transition-metal-free, one-pot construction of molecular complexity is likely to play a pivotal role in various carbon{\textendash}carbon and carbon{\textendash}heteroatom bond-forming reactions.

}, doi = {10.1002/anie.201106984}, author = {Bhojgude, Sachin Suresh and Biju, Akkattu T.} } @article { ISI:000309850200004, title = {Asymmetric synthesis of a 12-membered macrolactone core and a 6-epi analogue of amphidinolide W from 4-pentenoic acid}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {15-16}, year = {2012}, month = {AUG}, pages = {1170-1185}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A flexible and efficient asymmetric route to the synthesis of a 12-membered macrolactone core and a 6-epi analogue of amphidinolide W has been accomplished from commercially available 4-pentenoic acid. The successful generation of stereocenters was achieved by utilizing an Evans{\textquoteright} chiral auxiliary-based alkylation and aldol reaction. Other key reactions such as a Julia-Kocienski olefination, Kita{\textquoteright}s macrolactonization, ring closing metathesis (RCM) reaction, and Yamaguchi{\textquoteright}s esterification were significant for the construction of the macrolactone cores. (c) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.07.006}, author = {Chatterjee, Bhaskar and Mondal, Dhananjoy and Bera, Smritilekha} } @article { ISI:000309370500004, title = {Carbon dioxide capture by metal organic frameworks}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1223-1230}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The design and synthesis of functionalized metal organic framework materials (MOFs) for reversible physisorption of CO2 is discussed. This strategy of CO2 adsorption in MOFs requires less energy for regeneration than materials relying on chemisorption. As a result the MOFs have received considerable attention as sorbent materials for strategic gases such as CO2 and H,. In this review, we have discussed different MOFs and hybrid materials containing MOFs which can adsorb CO2 at room temperature. In order to achieve high adsorption capacity, fast CO2 adsorption-desorption and low energy requirement for regeneration are necessary. Several avenues for increasing the CO2 adsorption capacity of such materials, for instance, introduction of open metal sites and the use of ligand molecules with specific functionalities (like -OH or -NH2) have been described. It has been observed that CO2 loading capacity of MOFs increases with functionalization. Herein, we have discussed how N-containing and fluorinated MOFs are designed to achieve higher CO2 loading than their non-functionalized counterparts. Nanocarbons (e.g. carbon nanotubes, carbon nanofibres, etc.) are porous materials and a blend of these porous materials with porous MOFs or porous carbon derived from MOFs may act as a better adsorbate than even the pure materials. Enhancement of CO2 loading by nanocarbon-MOF hybrid material is also discussed.

}, keywords = {Carbon dioxide adsorbents, Carbon dioxide capture, hybrid materials, Metal organic frameworks, Nanocarbons, Porous nanocarbons}, issn = {0376-4710}, author = {Saha, Subhadeep and Chandra, Suman and Garai, Bikash and Banerjee, Rahul} } @article { ISI:000309370500015, title = {Carbon dioxide reforming of methane over ruthenium substituted strontium titanate perovskite catalysts}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1339-1347}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Strontium titanate (SrTiO3) doped with varying amounts of ruthenium (7.9, 15.6 and 31 wt\%) have been prepared by the citrate gel synthesis method. Structural and textural characterizations reveal that at lower concentrations, a major part of Ru is incorporated in the lattice of SiTiO3. The content of surface Ru (outside lattice) increases with increasing amounts of the doped Ru. The surface Ru reduced at lower temperatures compared to Ru incorporated into the lattice. The reduction of the lattice substituted Ru occurs only at temperatures above the collapse of the perovskite structure. The catalyst sample with 7.9 wt\% of Ru shows good conversions in the dry reforming of methane with CO2. The conversion of CO2 is in excess compared to methane under the studied reaction conditions. As a result, H-2/CO ratio of the product gases which should have been equivalent to unity is lower than the stoichiometric value. This ratio is particularly low when lower reaction temperatures (873-973 K) were used. Similar was the case when high space velocities were used. Low methane conversion and reverse water gas shift reaction are the causes for the low H-2/CO ratios.

}, keywords = {Carbon dioxide reforming, Catalysts, Citrate gel method, Doped catalysts, Dry reforming, Methane reforming, Perovskites, Reverse water gas shift, Ruthenium doped catalysts, Strontium titanate, Syngas}, issn = {0376-4710}, author = {Gurav, Hanmant R. and Bobade, Richa and Das, Vineetha Lakshmi and Chilukuri, Satyanarayana V.} } @article { ISI:000306642100056, title = {Cholesterol-tethered platinum II-based supramolecular nanoparticle increases antitumor efficacy and reduces nephrotoxicity}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {28}, year = {2012}, month = {JUL}, pages = {11294-11299}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Nanoscale drug delivery vehicles have been harnessed extensively as carriers for cancer chemotherapeutics. However, traditional pharmaceutical approaches for nanoformulation have been a challenge with molecules that exhibit incompatible physicochemical properties, such as platinum-based chemotherapeutics. Here we propose a paradigm based on rational design of active molecules that facilitate supramolecular assembly in the nanoscale dimension. Using cisplatin as a template, we describe the synthesis of a unique platinum (II) tethered to a cholesterol backbone via a unique monocarboxylato and O -\> Pt coordination environment that facilitates nanoparticle assembly with a fixed ratio of phosphatidylcholine and 1,2-distearoyl-sn-glycero-3-phosphoethanolamine- N-[amino (polyethylene glycol)-2000]. The nanoparticles formed exhibit lower IC50 values compared with carboplatin or cisplatin in vitro, and are active in cisplatin-resistant conditions. Additionally, the nanoparticles exhibit significantly enhanced in vivo antitumor efficacy in murine 4T1 breast cancer and in K-Ras(LSL/+/)Pten(fl/fl) ovarian cancer models with decreased systemic- and nephro-toxicity. Our results indicate that integrating rational drug design and supramolecular nanochemistry can emerge as a powerful strategy for drug development. Furthermore, given that platinum-based chemotherapeutics form the frontline therapy for a broad range of cancers, the increased efficacy and toxicity profile indicate the constructed nanostructure could translate into a nextgeneration platinum-based agent in the clinics.

}, keywords = {chemotherapy, nanomedicine}, issn = {0027-8424}, doi = {10.1073/pnas.1203129109}, author = {Sengupta, Poulomi and Basu, Sudipta and Soni, Shivani and Pandey, Ambarish and Roy, Bhaskar and Oh, Michael S. and Chin, Kenneth T. and Paraskar, Abhimanyu S. and Sarangi, Sasmit and Connor, Yamicia and Sabbisetti, Venkata S. and Kopparam, Jawahar and Kulkarni, Ashish and Muto, Katherine and Amarasiriwardena, Chitra and Jayawardene, Innocent and Lupoli, Nicola and Dinulescu, Daniela M. and Bonventre, Joseph V. and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article {43249, title = {Comparative genomics of the apicomplexan parasites toxoplasma gondii and neospora caninum: coccidia differing in host range and transmission strategy}, journal = {Plos Pathogens}, volume = {8}, year = {2012}, month = {MAR}, abstract = {Toxoplasma gondii is a zoonotic protozoan parasite which infects nearly one third of the human population and is found in an extraordinary range of vertebrate hosts. Its epidemiology depends heavily on horizontal transmission, especially between rodents and its definitive host, the cat. Neospora caninum is a recently discovered close relative of Toxoplasma, whose definitive host is the dog. Both species are tissue-dwelling Coccidia and members of the phylum Apicomplexa; they share many common features, but Neospora neither infects humans nor shares the same wide host range as Toxoplasma, rather it shows a striking preference for highly efficient vertical transmission in cattle. These species therefore provide a remarkable opportunity to investigate mechanisms of host restriction, transmission strategies, virulence and zoonotic potential. We sequenced the genome of N. caninum and transcriptomes of the invasive stage of both species, undertaking an extensive comparative genomics and transcriptomics analysis. We estimate that these organisms diverged from their common ancestor around 28 million years ago and find that both genomes and gene expression are remarkably conserved. However, in N. caninum we identified an unexpected expansion of surface antigen gene families and the divergence of secreted virulence factors, including rhoptry kinases. Specifically we show that the rhoptry kinase ROP18 is pseudogenised in N. caninum and that, as a possible consequence, Neospora is unable to phosphorylate host immunity-related GTPases, as Toxoplasma does. This defense strategy is thought to be key to virulence in Toxoplasma. We conclude that the ecological niches occupied by these species are influenced by a relatively small number of gene products which operate at the host-parasite interface and that the dominance of vertical transmission in N. caninum may be associated with the evolution of reduced virulence in this species.}, doi = {10.1371/journal.ppat.1002567}, author = {Reid, Adam James and Vermont, Sarah J. and Cotton, James A. and Harris, David and Hill-Cawthorne, Grant A. and Koenen-Waisman, Stephanie and Latham, Sophia M. and Mourier, Tobias and Norton, Rebecca and Quail, Michael A. and Sanders, Mandy and Shanmugam, Dhanasekaran and Sohal, Amandeep and Wasmuth, James D. and Brunk, Brian and Grigg, Michael E. and Howard, Jonathan C. and Parkinson, John and Roos, David S. and Trees, Alexander J. and Berriman, Matthew and Pain, Arnab and Wastling, Jonathan M.} } @article { ISI:000300887700023, title = {Competition between gelation and crystallisation of a peculiar multicomponent liquid system based on ammonium salts}, journal = {Soft Matter}, volume = {8}, number = {12}, year = {2012}, month = {FEB}, pages = {3446-3456}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An exemplar competition between gelation and crystallisation phenomena was examined with an unusual synergistic multicomponent (organo) gelator solution (MGS), which consists of a well-defined methanolic solution of (1R, 2R)-1,2-diaminocyclohexane L-tartrate containing 2.4 equiv. of concentrated hydrochloric acid. The optimal composition of the MGS was determined through meticulous solubility, gelation and structural studies, which support a transient gelation mechanism based on the kinetic self-assembly of the tartrate salt driven by hydrogen-bonding interactions, involving ammonium nitrogen donors and hydroxyl oxygen acceptors, and electrostatic interactions. The hydrochloric acid is involved in the solubilisation of the salt through an ionic dissociation-exchange process, which ends up with the formation-precipitation of (1R, 2R)-1,2-diaminocyclohexane dihydrochloride. As a consequence, an irreversible destruction of the gel takes place, which indicates the metastable nature of this phase that cannot be accessed from the thermodynamically equilibrated state. Gelation of a variety of oxygenated and nitrogenated solvents with moderate polarity occurred efficiently using extremely low MGS concentrations at low temperatures, and the gel phase was confirmed by dynamic rheological measurements. Several features make the described MGS unique: (1) it is a multicomponent solution where each component and its stoichiometry play a key role in the reproducible formation and stabilization of the gels; (2) it is formed by simple, small, and commercially available chiral building blocks (dissolved in a well-defined solvent system), which are easily amenable for further modifications; (3) the gelation phenomenon takes place efficiently at low temperature upon warming up the isotropic solution, conversely to the typical gel preparation protocol; and (4) the formed organogels are not thermoreversible despite the non-covalent interactions that characterize the 3D-network.

}, issn = {1744-683X}, doi = {10.1039/c2sm07183e}, author = {Kapoor, Iti and Schoen, Eva-Maria and Bachl, Jurgen and Kuehbeck, Dennis and Cativiela, Carlos and Saha, Subhadeep and Banerjee, Rahul and Roelens, Stefano and Juan Marrero-Tellado, Jose and Diaz, David Diaz} } @article {Dutta Chowdhury, title = {Conformational transitions of the catalytic domain of heme-regulated eukaryotic initiation factor 2 alpha kinase, a key translational regulatory molecule}, journal = {Journal of Fluorescence}, volume = {22}, number = {1}, year = {2012}, month = {JAN}, pages = {431-441}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In mammalian cells, the heme-regulated inhibitor (HRI) plays a critical role in the regulation of protein synthesis at the initiation step through phosphorylation of a-subunit of the eukaryotic initiation factor 2 (eIF2). In this study we have cloned and performed biophysical characterization of the kinase catalytic domain (KD) of rabbit HRI. The KD described here comprises kinase 1, the kinase insertion domain (KI) and kinase 2. We report here the existence of an active and stable monomer of HRI (KD). The HRI (KD) containing three tryptophan residues was examined for its conformational transitions occurring under various denaturing conditions using steady-state and time-resolved tryptophan fluorescence, circular dichroism (CD) and hydrophobic dye binding. The parameter A and phase diagram analysis revealed multi-state unfolding and existence of three stable intermediates during guanidine hydrochloride (Gdn-HCl) induced unfolding of HRI (KD). The protein treated with 6 M Gdn-HCl showed collisional and static mechanism of acrylamide quenching and the constants (K-sv=3.08 M-1 and K-s=5.62 M-1) were resolved using time resolved fluorescence titration. Based on pH, guanidine hydrochloride and temperature mediated transitions, HRI (KD) appears to exemplify a rigid molten globule-like intermediate with compact secondary structure, altered tertiary structure and exposed hydrophobic patches at pH 3.0. The results indicate the inherent structural stability of HRI (KD), a member of the class of stress response proteins.

}, keywords = {Circular dichroism (CD), eIF2 alpha kinase, Heme-regulated inhibitor, Molten globule, Steady-state and time-resolved fluorescence}, issn = {1053-0509}, doi = {10.1007/s10895-011-0976-2}, author = {Sreejith, R. K. and Suresh, C. G. and Bhosale, Siddharth H. and Bhavnani, Varsha and Kumar, Avinash and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article { ISI:000308310100032, title = {Control of porosity by using isoreticular zeolitic imidazolate frameworks (IRZIFs) as a template for porous carbon synthesis}, journal = {Chemistry-A European Journal}, volume = {18}, number = {36}, year = {2012}, month = {SEP}, pages = {11399-11408}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Herein, by using isoreticular zeolitic imidazolate frameworks (IRZIFs) as a template, we report the synthesis, morphology, and gas adsorption properties of porous carbon synthesized by a nanocasting method at 1000 degrees C, in which furfuryl alcohol (FA) was used as a carbon source. By using IRZIFs with variable porosity as templates, we could achieve control over the carbon porosity and H-2 and CO2 uptake. The resultant microporous carbon C-70, synthesized by using ZIF-70 as the template, is the most porous (Brunauer-Emmett-Teller (BET) surface area 1510 m(2)g(-1)). Carbon C-68, synthesized by using ZIF-68, has moderate porosity (BET surface area 1311 m(2)g(-1)), and C-69, synthesized by using ZIF-69, has the lowest porosity in this series (BET surface area 1171 m(2)g(-1)). The porous carbons C-70, C-68, and C-69, which have graphitic texture, have promising H2 uptake capacities of 2.37, 2.15, and 1.96 wt\%, respectively, at 77 K and 1 atm. Additionally, C-70, C-68, and C-69 show CO2 uptake capacities of 5.45, 4.98, and 4.54 mmolg(-1), respectively, at 273 K and 1 atm. The gas uptake trends shown by C-70, C-68, and C-69 clearly indicate the dependence of carbon porosity on the host template. Moreover, the as-synthesized carbons C-70, C-68, and C-69 show variable conductivity.

}, keywords = {Carbon, Hydrogen storage, metal-organic frameworks, microporous materials, zinc}, issn = {0947-6539}, doi = {10.1002/chem.201200957}, author = {Pachfule, Pradip and Biswal, Bishnu P. and Banerjee, Rahul} } @article { ISI:000299775500022, title = {Controlled release of nutrients to mammalian cells cultured in shake flasks}, journal = {Biotechnology Progress}, volume = {28}, number = {1}, year = {2012}, month = {JAN}, pages = {188-195}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Though cell culture-based protein production processes are rarely carried out under batch mode of operation, cell line and initial process development operations are usually carried out in batch mode due to simplicity of operation in widely used scale down platforms like shake flasks. Nutrient feeding, if performed, is achieved by bolus addition of concentrated feed solution at different intervals, which leads to large transient increases in nutrient concentrations. One negative consequence is increased waste metabolite production. We have developed a hydrogel-based nutrient delivery system for continuous feeding of nutrients in scale down models like shake flasks without the need for manual feed additions or any additional infrastructure. Continuous delivery also enables maintaining nutrient concentrations at low levels, if desired. The authors demonstrate the use of these systems for continuous feeding of glucose and protein hydrolysate to a suspension Chinese Hamster Ovary (CHO) culture in a shake flask. Glucose feeding achieved using the glucose-loaded hydrogel resulted in a 23\% higher integral viable cell density and an 89\% lower lactate concentration at the end of the culture when compared with a bolus-feed of glucose. (c) 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2012

}, issn = {8756-7938}, doi = {10.1002/btpr.729}, author = {Hegde, Swati and Pant, Tejal and Pradhan, Ketaki and Badiger, Manohar V. and Gadgil, Mugdha} } @article { ISI: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:000301225000022, title = {Converting ab initio energies to enthalpies of formation of free radicals. I. new atom equivalents for alkyl radicals}, journal = {Aiche Journal}, volume = {58}, number = {2}, year = {2012}, month = {FEB}, pages = {600-609}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

A simple method is presented to convert ab initio computed total energies to the standard enthalpy of formation (Delta H-f(o)) of a large number of saturated alkyl radicals (especially those that are relatively highly branched), for which experimental data are scarcely available. For this purpose a new set of radical atom-equivalents (AEQ) and their unique combinations were defined and the energy values of the latter assigned. The theory level and the basis set requirement for the quantum chemistry calculation of the molecular energy were found to be moderate. The Delta H-f(o) predictions appear to be quite accurate with reference to limited available experimental data and are better than values calculated by the group-additivity and the difference methods. The strategy provides an inexpensive way of harnessing the power of computational chemistry and combining it with the organization and insight from the group-additivity method sans any empirical corrections. (C) 2011 American Institute of Chemical Engineers AIChE J, 58: 600-609, 2012

}, keywords = {atom-equivalents, computational chemistry, enthalpy of formation, free radicals, goup additivity method}, issn = {0001-1541}, doi = {10.1002/aic.12596}, author = {Bhattacharya, Arijit} } @article { ISI:000307187300030, title = {Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks}, journal = {Chemical Communications}, volume = {48}, number = {70}, year = {2012}, month = {JUL}, pages = {8829-8831}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Proton conductivity of five Ca-based MOFs which depends on the amount of water molecules coordinated to the Ca-centres has been reported. These MOFs show high temperature proton conductivity due to the strong hydrogen bonding between the lattice and coordinated water molecules.

}, issn = {1359-7345}, doi = {10.1039/c2cc34006b}, author = {Mallick, Arijit and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000309786400075, title = {Discovering bisdemethoxycurcumin from curcuma longa rhizome as a potent small molecule inhibitor of human pancreatic alpha-amylase, a target for type-2 diabetes}, journal = {Food Chemistry}, volume = {135}, number = {4}, year = {2012}, month = {DEC}, pages = {2638-2642}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Curcuma longa rhizome is used extensively in culinary preparations in Far East and South-East Asia. Health benefits of curcuminoids from C. longa as antioxidants, anti-cancer and anti-inflammatory molecules have been well documented. We report here for the first time that Bisdemethoxycurcumin (BDMC) from C. longa, acts as an inhibitor to inactivate human pancreatic alpha-amylase, a therapeutic target for oral hypoglycemic agents in type-2 diabetes. Bioactivity guided isolation of rhizome isopropanol extract led to the identification by HPLC and NMR of BDMC as a lead small molecule inhibitor of porcine and human pancreatic alpha-amylase with an IC50 value of 0.026 and 0.025 mM, respectively. Kinetic analysis revealed that using starch as the substrate, HPA exhibited an uncompetitive mode of inhibition with an apparent K-i of 3.0 mu M. The study gains importance as BDMC could be a good drug candidate in development of new inhibitors of HPA and of functional foods for controlling starch digestion in order to reduce post-prandial hyperglycemia. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {BDMC, Curcuma longa, Human pancreatic amylase, kinetics, Type-2 diabetes}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2012.06.110}, author = {Ponnusamy, Sudha and Smita S. Zinjarde and Bhargava, Shobha and Rajamohanan, P. R. and RaviKumar, Ameeta} } @article { ISI:000299404900016, title = {Dodecatungstophosphoric acid supported on acidic clay catalyst for disproportionation of ethylbenzene in the presence of C-8 aromatics}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {3}, year = {2012}, month = {JAN}, pages = {1209-1217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Vapor-phase disproportionation of ethylbenzene (EB) to diethylbenzene (DEB) in a single step is industrially relevant. Diethylbenzene is an important raw material for the conversion of divinylbenzene monomer. Conventionally, it is prepared from diacetophenone by reduction. It is also prepared by vapor-phase alkylation of ethylbenzene with ethylene/ethanol using zeolitic catalysts. In the current work, the efficacy of dodecatungstophosphoric acid (DTPA) supported on acid-treated clay has been evaluated in the disproportionation of ethylbenzene. A 20\% (w/w) DTPA/K-10 clay catalyst was found to be efficient and robust. An industrial feed having different compositions of ethylbenzene and xylene isomers was used for the experimentation. Hence, they were expected to hinder the movement of reactant molecules on the catalyst surface. It was observed that irrespective of feed composition the concentration of the xylene isomers was intact in the product. There was no other byproduct formation like p-ethylrnethylbenzene. Optimization of process parameters is presented. The effect of varying the concentration of aromatic compounds in the feed on ethylbenzene conversion and product distribution over the plain clay (K-10) and heteropolyacid-loaded clay catalyst have been discussed. The effect of catalyst bed length to inner diameter of reactor (L/D) ratio on the ethylbenzene conversion and selective formation of p-diethylbenzene (p-DEB) are also discussed.

}, issn = {0888-5885}, doi = {10.1021/ie202298e}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000309333600007, title = {Downstream processing of extracellular phytase from aspergillus niger: chromatography process vs. aqueous two phase extraction for its simultaneous partitioning and purification}, journal = {Process Biochemistry}, volume = {47}, number = {7}, year = {2012}, month = {JUL}, pages = {1066-1072}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The application of single step aqueous two-phase extraction (ATPE) for the downstream processing of phytase from Aspergillus niger NCIM 563, produced under solid state fermentation, has been studied and compared with the traditional multi-step procedure involving salt precipitation and column chromatography. High phytase recovery (98.5\%) within a short time (3 h) and improved thermostability was attained by ATPE in comparison to 20\% recovery in 96 h by chromatography process.The ATPE method, therefore, seems to be an interesting alternative for simultaneous partitioning and purification of phytase. The influence of system parameters; such as, phase forming salts, polymer molecular weight and system pH on the partitioning behavior of phytase was evaluated. The ATPE system consisting of combination of polyethylene glycol (PEG) 6000 and 8000(10.5\%) and sodium citrate (20.5\%) resulted in one-sided partitioning of phytase in bottom phase with a purification factor of 2.5. This is the first report on phytase purification using liquid-liquid extraction and the results are likely to be beneficial in the poultry feed industry. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Aspergillus niger, liquid-liquid extraction, Phytase, Polyethylene glycol, Purification}, issn = {1359-5113}, doi = {10.1016/j.procbio.2012.03.012}, author = {Bhavsar, Kavita P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article { ISI:000309139400021, title = {Eco-friendly, highly stable and efficient nanostructured p-type N-doped ZnO photocatalyst for environmentally benign solar hydrogen production}, journal = {Green Chemistry}, volume = {14}, number = {10}, year = {2012}, month = {JUL}, pages = {2790-2798}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have investigated an economical green route for the synthesis of a p-type N-doped ZnO photocatalyst by a wet chemical method. Significantly, hazardous H2S waste was converted into eco-friendly hydrogen energy using the p-type N-doped ZnO photocatalyst under solar light, which has previously been unattempted. The as-synthesized p-type N-doped ZnO shows a hexagonal wurtzite structure. The optical study shows a drastic shift in the band gap of the doped ZnO in the visible region (3.19-2.3 eV). The doping of nitrogen into the ZnO lattice is conclusively proved from X-ray photoelectron spectroscopy analysis and Raman scattering. The morphological features of the N-doped ZnO are studied from FESEM, TEM and reveal particle sizes to be in the range of similar to 4-5 nm. The N-doped ZnO exhibits enhanced photocatalytic hydrogen generation (similar to 3957 mu mol h(-1)) by photodecomposition of hydrogen sulfide under visible light irradiation, which is much higher as compared to semiconductor metal oxides reported so far. It is noteworthy that a green catalyst is investigated to curtail H2S pollution along with production of hydrogen (green fuel) using solar light, i.e., a renewable energy source. The green process investigated will have the potential to synthesize other N-doped metal oxides.

}, issn = {1463-9262}, doi = {10.1039/c2gc35519a}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram D. and Waichal, Rupali P. and Nikam, Latesh K. and Kale, Bharat B.} } @article {42446, title = {Efficient diels-alder reaction of 1,2-benzoquinones with arynes and its utility in one-pot reactions}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {DEC}, pages = {6238{\textendash}6241}, abstract = {

A new protocol for the efficient Diels{\textendash}Alder reaction of 1,2-benzoquinones with arynes is reported. The aryne generated by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes a facile Diels{\textendash}Alder reaction with 1,2-benzoquinones, affording the dioxobenzobicyclooctadienes in moderate to excellent yields. In addition, this methodology has been applied to the one-pot synthesis of benzoquinoxalinobarrelene and naphthalene derivatives.

}, doi = {10.1021/ol302997q}, author = {Kaicharla, Trinadh and Bhojgude, Sachin Suresh and Biju, Akkattu T.} } @article {42713, title = {Efficient hydrogenation of biomass derived cyclic di-esters to 1,2-diols}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {OCT}, pages = {1111-1113}, abstract = {

The unprecedented homogeneous hydrogenation of cyclic di-esters, in particular biomass-derived glycolide and lactide, to the corresponding 1,2-diols is catalyzed by Ru(II) PNN (1) and Ru(II) CNN (2) pincer complexes under mild hydrogen pressure and (in the case of 1) neutral conditions. No racemization was observed when a chiral di-ester was used.

}, doi = {10.1039/C1CC15778G }, author = {Balaraman, Ekambaram and Fogler, Eran and Milstein, David} } @article { ISI:000308042000010, title = {Efficient synthesis of a hydroxyethylamine (HEA) isostere and its alpha-aminophosphonate and phosphoramidate derivatives as potential anti-HIV agents}, journal = {Chemmedchem}, volume = {7}, number = {9}, year = {2012}, month = {SEP}, pages = {1601-1611}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

HIV protease is a promising drug target for AIDS therapy, and several potent HIV-1 protease inhibitors have been reported to date. Although existing inhibitors exhibit high selectivity, they have also been associated with severe side effects and the possible emergence of therapeutic resistance. As HIV protease cleaves the peptide bond via a tetrahedral intermediate, various transition-state models such as hydroxyethylamine (HEA) have been designed. We therefore pursued an efficient synthesis of an HEA isostere; this was performed with a novel one-pot reductiontransiminationreduction reaction sequence as a key step. a-Aminophosphonate and phosphoramidate derivatives of the HEA isostere were designed and synthesized, and all of the synthesized derivatives were assayed for their anti-HIV activities against wild-type and mutant HIV strains. Phosphoramidate derivative 15?a was found to be the most active of all synthesized compounds against the IIIB and RES056 strains. As phosphonates are known to exhibit physiological stability, good cell permeability, and other promising pharmacokinetic characteristics, our newly synthesized compounds have the potential as alternatives to existing therapeutics and diagnostics.

}, keywords = {a-aminophosphonates, antiviral agents, hydroxyethylamine isosteres, phosphoramidates, synthesis}, issn = {1860-7179}, doi = {10.1002/cmdc.201200271}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Pannecouque, Christophe and De Clercq, Eric} } @article {42448, title = {Efficient synthesis of gamma-keto sulfones by NHC-catalyzed intermolecular stetter reaction}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {MAY}, pages = {2830{\textendash}2833}, abstract = {

The N-heterocyclic carbene-catalyzed intermolecular Stetter reaction of aldehydes with α,β-unsaturated sulfones allows the atom-economic and selective formation of γ-keto sulfones in good yields. Key to the success of this unique transition-metal-free carbon{\textendash}carbon bond-forming reaction is the right choice of the NHC precursor and base. The reaction tolerates a broad range of different aldehydes.

}, doi = {10.1021/ol301045x}, author = {Bhunia, Anup and Yetra, Santhivardhana Reddy and Bhojgude, Sachin Suresh and Biju, Akkattu T.} } @article { ISI:000304387800025, title = {Efficient total synthesis of calothrixin B}, journal = {Tetrahedron Letters}, volume = {53}, number = {23}, year = {2012}, month = {JUN}, pages = {2894-2896}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of calothrixin B (2) is demonstrated starting from 9H-carbazol-4-ol, having two one-pot reaction sequences as key steps. As a novel observation, DMF-methanol was shown to be a hydride donor for reduction of aldehyde to alcohol. Unexpectedly, nucleophilic substitution of benzyloxy by methoxy group was observed. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Calothrixin B, CAN, DMF-methanol, Hydride donor}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.03.131}, author = {Bhosale, Shrikar M. and Gawade, Rupesh L. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000299292600009, title = {Enhanced piezoresponse of electrospun PVDF mats with a touch of nickel chloride hexahydrate salt}, journal = {Nanoscale}, volume = {4}, number = {3}, year = {2012}, month = {FEB}, pages = {752-756}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

PVDF nanofibers are prepared using electrospinning. The effect of addition of a hydrated salt, nickel chloride hexahydrate (NiCl2 center dot 6H(2)O), on the phase formation is examined. Addition of the hydrated salt (NC) is found to enhance the polar beta phase by about 30\%. The peak to peak piezo-voltage generated for PVDF NC is almost 0.762 V, a factor of 3 higher than that for PVDF. The fiber mats exhibit a significantly enhanced dynamic strain sensor response. The voltage generated per unit micro-strain developed during the free vibration test for PVDF was 0.119 mV whereas it was 0.548 mV for PVDF NC, exhibiting a non-linearly enhanced performance vis a vis the increase in the beta phase component.

}, issn = {2040-3364}, doi = {10.1039/c2nr11841f}, author = {Dhakras, Dipti and Borkar, Vivek and Ogale, Satishchandra and Jog, Jyoti Prakash} } @article { ISI:000312301800017, title = {Epitaxial magnetic oxide nanocrystals via phase decomposition of bismuth perovskite precursors}, journal = {Advanced Functional Materials}, volume = {22}, number = {24}, year = {2012}, month = {DEC}, pages = {5224-5230}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The phase instability of bismuth perovskite (BiMO3), where M is a ferromagnetic cation, is exploited to create self-assembled magnetic oxide nanocrystal arrays on oxide supports. Conditions during pulsed laser deposition are tuned so as to induce complete breakdown of the perovskite precursor into bismuth oxide (Bi2O3) and metal oxide (M-Ox) pockets. Subsequent cooling in vacuum volatizes the Bi2O3 leaving behind an array of monodisperse nanocrystals. In situ reflective high energy electron diffraction beam is exploited to monitor the synthesis in real-time. Analysis of the patterns confirms the phase separation and volatization process. Successful synthesis of M-Ox, where M = Mn, Fe, Co, and Cr, is shown using this template-free facile approach. Detailed magnetic characterization of nanocrystals is carried out to reveal the functionalities such as magnetic anisotropy as well as larger than bulk moments, as expected in these oxide nanostructures.

}, keywords = {Bi2O3 evaporation, bismuth perovskites, epitaxial nanostructures, magnetic oxides, phase separation}, issn = {1616-301X}, doi = {10.1002/adfm.201201066}, author = {Bogle, Kashinath A. and Cheung, Jeffrey and Chen, Yong-Lun and Liao, Sheng-Chieh and Lai, Chih-Hung and Chu, Ying-Hao and Gregg, John M. and Ogale, Satishchandra B. and Valanoor, Nagarajan} } @article {42782, title = {Ethyl oligo-silicates with strong acid heterogeneous polymeric catalysts}, number = {PCT/IB2011/002531}, year = {2012}, month = {MAY}, type = {Application}, abstract = {

The present invention provides a process for the synthesis of ethyl silicate with varying silica concentration, by hydrolysing ethyl silicate in varying water concentration in the presence of sulfonated catalysts having a styrene-divinyl benzene backbone. The present invention further relates to the preparation of beaded crosslinked polymers containing sulfonic acid moieties having an interconnected pore structure and surface area up to 400 m2 /g.

}, author = {Bevara, Madhusudana Rao and Bhongale, Sunil Sitaram and Bhosle, Sonali Madhavrao and Chavan, Nayaku and Chelanattukizhakkemadath, Raman Rajan and Deokar, Sarika Babasaheb and Dhoble, Deepa Arun and Dwivedi, Mayank and Ghorpade, Ravindra V. and Harikrishna, Reghunathan and Dhanasekharan, Janakiraman and John, Aruldoss and Locanindi, Hari Sarvothama Rao and Momin, Mohasin Shamshuddin and Mulani, Khudbudin Baban and Mule, Smita Atmaram and Nalawade, Archana Chetan and Punitharasu, Vellimalai and Qureshi, Mohammed Shadbar and Kumar, Tayal Rajiv and Shaikh, Wasif Abdul Lateef and Sontakke, Kalpana Vishwanathrao and Reddy, Krishna Mohan Srinivasulu and Sriperambudur, Rajesh Kumar and Ponrathnam, Surendra} } @article { ISI:000306215900022, title = {Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {14951-14963}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis, structure, gas adsorption and catalytic properties of a new 3D porous, crystalline metal-organic framework (Ca-5TIA-MOF) as well as stable viscoelastic metallogels (Ca-5TIA-Gel) are reported. Remarkably, the preparation of both types of materials can be carried out starting from the same organic ligand (i.e. 5-(1,2,4-triazoleyl) isophthalic acid (5TIA)), divalent metal ion (i.e. Ca(II)) and organic solvent (i.e. DMF). In this particular case, the presence of water in the solvent system favors the formation of a crystalline MOF, whereas a pure organic solvent induces gelation. The characterization of the materials was carried out using a series of techniques including XRD, FT-IR, TGA, TEM, SEM, SAXS and dynamic rheology. Experimental PXRD peaks of both Ca-5TIA-xerogel and Ca-5TIA-MOF matched reasonably well with simulated PXRD, suggesting the presence of, at least, some common structural elements in the 3D networks of both xerogel and crystalline phases. Moreover, the nature of the metal counteranion was found to have a critical influence on the gelation phenomenon. To the best of our knowledge, this report describes unprecedented Ca-based LMW-metallogels, as well as the first porous Ca-based MOF, which shows adsorption capacity for CO2 at 1 atm pressure. Interestingly, Ca-5TIA-xerogel presented 20\% higher CO2-uptake than the crystalline Ca-5TIA-MOF at 1 atm and 298 K. Both Ca-5TIA-MOF and Ca-5TIA-Gel also displayed a modest catalytic activity towards the hydrosilylation of benzaldehyde, with slightly better performance for the gel phase material.

}, issn = {0959-9428}, doi = {10.1039/c2jm30866e}, author = {Mallick, Arijit and Schoen, Eva-Maria and Panda, Tamas and Sreenivas, K. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000312145400009, title = {First total synthesis of seimatopolide B}, journal = {RSC Advances}, volume = {2}, number = {30}, year = {2012}, month = {OCT}, pages = {11231-11234}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first enantioselective total synthesis of seimatopolide B has been achieved, using ring-closing metathesis and DCC (N,N{\textquoteright}-dicyclohexylcarbodiimide) coupling as key steps. The stereogenic centres were generated by means of iterative hydrolytic kinetic resolution (HKR) of racemic epoxides.

}, issn = {2046-2069}, doi = {10.1039/c2ra21838k}, author = {Nookaraju, U. and Harbindu, Anand and Bhise, Ankushkumar D. and Sharma, Brijesh M. and Kumar, Pradeep} } @article {43235, title = {First-principle protocol for calculating ionization energies and redox potentials of solvatedmolecules and ions: theory and application to aqueous phenol and phenolate}, journal = {Journal of Physical Chemistry B}, volume = {116}, year = {2012}, month = {JUN}, pages = {7269-7280}, abstract = {The effect of hydration on the lowest vertical ionization energy (VIE) of phenol and phenolate solvated in bulk water was characterized using the equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods (referred to as EOM/EFP) and determined experimentally by valence photoemission measurements using microjets and synchrotron radiation. The computed solvent-induced shifts in VIEs (Delta VIEs) are 0.66 and +5.72 eV for phenol and phenolate, respectively. Our best estimates of the absolute values of VIEs (7.9 and 7.7 eV for phenol and phenolate) agree reasonably well with the respective experimental values (7.8 +/- 0.1 and 7.1 +/- 0.1 eV). The EOM/EFP scheme was benchmarked against full EOM-IP-CCSD using microsolvated phenol and phenolate clusters. A protocol for calculating redox potentials with EOM/EFP was developed based on linear response approximation (LRA) of free energy determination. The oxidation potentials of phenol and phenolate calculated using LRA and EOM/EFP are 1.32 and 0.89 V, respectively; they agree well with experimental values.}, doi = {10.1021/jp301925k}, author = {Ghosh, Debashree and Roy, Anirban and Seidel, Robert and Winter, Bernd and Bradforth, Stephen and Krylov, Anna I.} } @article { ISI:000298731200036, title = {Fluorinated metal-organic frameworks: advantageous for higher H-2 and CO2 adsorption or not?}, journal = {Chemistry-A European Journal}, volume = {18}, number = {2}, year = {2012}, month = {JAN}, pages = {688-694}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis, structure, and gas adsorption properties of three new metalorganic frameworks (MOFs) designed from isonicotinic acid (INA) and its fluorinated analogue 3-fluoroisonicotinic acid (FINA) along with CoII as the metal center have been reported. Co-INA-1 ([Co3(INA)4(O)(C2H5OH)3][NO3].C2H5OH.3?H2O; INA=isonicotinic acid) and Co-INA-2 ([Co(INA)2].DMF) are structural isomers as are Co-FINA-1 ([Co3(FINA)4(O)(C2H5OH)2].H2O; FINA=3-fluoroisonicotinic acid) and Co-FINA-2 ([Co(FINA)2].H2O), but the most important thing to note here is that Co-INA-1 and Co-FINA-1 are isostructural as are Co-INA-2 and Co-FINA-2. The effect of partial introduction of fluorine atoms into the framework on the gas uptake properties of MOFs having similar structures has been analyzed experimentally and computationally in isostructural MOFs.

}, keywords = {cobalt, fluorine, Hydrogen storage, metal-organic frameworks, microporous materials, X-ray diffraction}, issn = {0947-6539}, doi = {10.1002/chem.201102295}, author = {Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article {42679, title = {Foam based synthesis of metal carbonates: establishing the role of spatial confinement for obtaining interesting morphologies}, journal = {Journal of Computational and Theoretical Nanoscience}, volume = {11}, year = {2012}, month = {MAY}, pages = {91-97}, abstract = {

The crystallization of different carbonates namely lead carbonate, cadmium carbonate and strontium carbonate in aqueous foam stabilized by the surfactant sodium dodecyl sulphate (SDS) by a method of cation entrapment is described. Reaction of ammonium carbonate with the respective cations electrostatically entrapped in the foam results in the formation of minerals, possibly in the Plateau border and Plateau junction regions of the foam. The unusual morphology of the crystals obtained from foam based synthetic method as compared to the crystals prepared in aqueous solution shows the utility of the template for the growth of crystals with an unusual morphology due to constrained environment. The materials are well characterized using TEM, SEM, EDAX and FTIR techniques. The large interfacial area of the liquid lamellae in the foam provides a striking possibility for the large-scale synthesis for not only minerals but also other nanoscale materials.

}, doi = {10.1166/asl.2012.2175}, author = {Bala, Tanushree and Sanyal, Ambarish and Pant, Jayashree and Bhagavatula L. V. Prasad} } @article {42666, title = {Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals}, journal = {Journal of Chemical Sciences}, volume = {124}, year = {2012}, month = {JAN}, pages = {223-232}, doi = {10.1007/s12039-012-0220-x}, author = {Ravichandran, Lalitha and Bhattacharya, Debarati and Vaval, Nayana and Pal, Sourav} } @article { ISI:000312974000005, title = {Functionalized metal organic frameworks (MOFs) for reversible gas storage and sequestration applications}, journal = {Journal of the Indian Chemical Society}, volume = {89}, number = {9}, year = {2012}, month = {SEP}, pages = {1197-1202}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

The decreasing amount of fossil fuels and increasing threat of global warming from the pollutants have driven the search for clean energy source. Energy sources from fossil fuels still remain in the forefront despite being a major source of increased CO2 content in the atmosphere. Metal Organic Frameworks (MOFs) have emerged as promising materials for hydrogen storage and CO2 sequestration. Several factors influencing the hydrogen uptake of porous MOFs such as surface area, catenation, ligand functionalization, doping with alkali metals and unsaturated metal centers have been extensively studied. Similarly, well defined periodicity and tunable pore sizes along with less basic amino-functionalized MOFs enables them favorable for fast and reversible CO2 gas adsorption at low partial pressure and room temperature. In this review we present diverse aspects of metal organic frameworks like fluorination, amino functionalization for high hydrogen storage and CO2 sequestration capabilities.

}, keywords = {carbon capture, CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0019-4522}, author = {Banerjee, Rahul} } @article { ISI:000312472000040, title = {Gold nanoparticle embedded hydrogel matrices as catalysts: better dispersibility of nanoparticles in the gel matrix upon addition of N-bromosuccinimide leading to increased catalytic efficiency}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {414}, year = {2012}, month = {NOV}, pages = {296-301}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple and convenient method for generating and immobilizing gold NPs into polyethylene glycol-polyurethane (PEGPU) matrices is presented. The gold NP immobilized PEGPU (Au NP-PEGPU) hydrogel matrices are easy to handle and can be used as catalysts. The efficiency, reusability and durability of the Au NP-PEGPU catalyst matrices were investigated using the reduction of 4-nitroaniline (4NA) to p-phenylenediamine (p-PDA) by sodium borohydride in the presence of the catalyst as a test reaction. The Au NPs in the PEGPU matrix got aggregated after 3 cycles of catalysis but dispersion could be regenerated by the addition of N-bromosuccinimide (NBS). After this regeneration process the Au NPs-PEGPU matrix showed excellent efficiency without any aggregation, leaching or degradation. The reusability of the catalyst for 28 cycles yielding a total turnover number of 3220 and turn over frequency of 0.152 s(-1) is demonstrated. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {catalysis, hydrogels, Immobilization, Nanoparticles, Turn over numbers}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2012.08.026}, author = {Ramtenki, Vilas and Anumon, V. D. and Badiger, Manohar V. and Bhagavatula L. V. Prasad} } @article {42514, title = {Highly selective and dual responsive test paper sensor of Hg2+/ Cr3+ for naked eye detection in neutral water}, journal = {RSC Advances}, volume = {2}, year = {2012}, month = {MAR}, pages = {3714-3721}, abstract = {

A highly selective and sensitive colorimetric and fluorogenic sensor (L1) for Hg2+/Cr3+ is reported. This reagent (L1) was synthesized by reacting 4-((4 (dimethylamino)phenyl)diazenyl)benzene-1-sulfonyl chloride, which has a dimethylaminophenyldiazenyl fragment as a photoactive signalling unit, with 2,2'-(3,3'-azanediylbis(propane-3,1-diyl))diisoindoline-1,3-dione as the receptor fragment. The reagent was characterized by standard analytical and spectroscopic techniques. Electronic spectral studies revealed that the reagent was selective for Hg2+ and Cr3+ in the presence of all other metal ions of Group 1A, IIA and all other common transition metal ions. On binding of L1 to the Hg2+ or Cr3+ centres, a new intense absorption band with a λmax of 509 nm appeared with associated changes in the visually detectable solution colour from yellow to red. Fluorescence spectral studies revealed a significant enhancement in the emission intensities upon coordination to Hg2+ or Cr3+ without any change in the emission wavelength. This could be explained by the efficient interruption of the photo induced electron transfer signalling mechanism involving an unshared pair of electrons from the central tertiary amine centre. An easy to prepare paper test kit, which was obtained by soaking the filter paper in a dichloromethane solution of L1, presents an approach that could be successfully used in the detection of Hg2+ or Cr3+ ions present in neutral aqueous media. This indicates the potential application of this dip strip type sensor for the detection of Hg2+ and Cr3+ in neutral aqueous environments without any spectroscopic instrumentation. Importantly, this reagent binds specifically to Cr3+ in the presence of an excess of iodide ions, which act as a masking agent for Hg2+. To the best of our knowledge, there are very few examples of detection limits lower than the present test strip for Hg2+ in the literature, while, for Cr3+, no such report is available.

}, doi = {10.1039/C2RA00788F}, author = {Das, Priyadip and Ghosh, Amrita and Bhatt, Hitesh and Das, Amitava} } @article { ISI: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:000305852100053, title = {Influence of Pd-loading on gas sensing characteristics of SnO2 thick films}, journal = {Ceramics International}, volume = {38}, number = {6}, year = {2012}, month = {AUG}, pages = {4835-4844}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Nanocrystalline pristine and 0.5, 1.5 and 3.0 wt\% Pd loaded SnO2 were synthesized by a facile co-precipitation route. These powders were screen-printed on alumina substrates to form thick films to investigate their gas sensing properties. The crystal structure and morphology of different samples were characterized by using X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The 3.0 wt\% Pd:SnO2 showed response of 85\% toward 100 ppm of LPG at operating temperature of 250 degrees C with fast response (8 s) and quick recovery time (24 s). The high response toward LPG on Pd loading can be attributed to lowering of crystallite size (9 nm) as well as the role of Pd particles in exhibiting spill-over mechanism on the SnO2 surface. Also selectivity of 3.0 wt\% Pd:SnO2 toward LPG was confirmed by measuring its response to other reducing gases like acetone (CH3COCH3), ethanol (C2H5OH) and ammonia (NH3) at optimum operating temperature. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {LPG sensor, Palladium, SnO2, Thick film}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.02.073}, author = {Bagal, L. K. and Patil, J. Y. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { 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 {42499, title = {Interrupted PET coupled TBET process for the design of a specific receptor for Hg2+ and its intracellular detection in MCF7 cells}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {JUL}, pages = {9293-9295}, abstract = {

A new coumarin{\textendash}rhodamine conjugate constitutes a unique example of the interrupted PET coupled TBET response for developing an imaging reagent for determining the intracellular distribution of Hg2+ in MCF7 cells exposed to [Hg2+] as low as 2 ppb.

}, doi = {10.1039/C2CC34490D}, author = {Saha, Sukdeb and Mahato, Prasenjit and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000300074300005, title = {Intramolecular selective hydrogenation of cinnamaldehyde over CeO2-ZrO2-supported Pt catalysts}, journal = {Journal of Catalysis}, volume = {285}, number = {1}, year = {2012}, month = {JAN}, pages = {31-40}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Selective liquid phase hydrogenation of cinnamaldehyde is reported, for the first time, over CeO2, ZrO2, and CeO2-ZrO2-supported Pt catalysts. Cinnamyl alcohol is the selective product. These catalysts are highly active and selective even at 25 degrees C and found to be superior to most of the hitherto known supported Pt catalysts. Alkali addition (NaOH) has enhanced the performance of these catalysts. At an optimized reaction condition, 95.8\% conversion of cinnamaldehyde and 93.4\% selectivity of cinnamyl alcohol have been obtained. Acidity of the support (due to the presence of ZrO2 component) and higher electron density at Pt (due to CeO2 component) are attributed to be responsible for the superior catalytic activity of Pt supported on CeO2-ZrO2 composite material. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {alpha, beta-Unsaturated aldehyde, Ceria-zirconia, Cinnamaldehyde, Hydrogenation, Promotion by alkali ions, Supported Pt catalyst}, issn = {0021-9517}, doi = {10.1016/j.jcat.2011.09.006}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article {43378, title = {Kinetic modeling and optimization of operating parameters for transvinylation of lauric acid}, journal = {International Journal of Chemical Kinetics}, volume = {44}, year = {2012}, month = {SEP}, pages = {624-634}, abstract = {The transition metal complex catalyzed transvinylation of carboxylic acid with vinyl acetate monomer is of significant interest to industry. The palladium complex catalyzed transvinylation of lauric acid using vinyl acetate monomer is a reversible reaction. In present article, design of experiments (DOE) statistics is used to study effects of various operating parameters on transvinylation of lauric acid. The kinetic parameters forward and backward rate constants and the thermodynamic parameters such as equilibrium constant and energy of activation of the transvinylation of lauric acid were estimated using the Dynochem model. The optimum operating parameters for the transvinylation of lauric acid were then predicted using the Dynochem model and verified by performing the actual experiments to validate the model. It was found that the experimental results match with the predicted one. (c) 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 624634, 2012}, doi = {10.1002/kin.20704}, author = {Kamble, Sanjay P. and Manjarekar, Onkar and Mawale, Ravi and Kulkarni, Bhaskar D. and Chowdary, Naresh and Gupte, Milind Y. and Barve, Prashant P.} } @article { ISI:000307479100016, title = {Lamellar melting, not crystal motion, results in softening of polyoxymethylene on heating}, journal = {Macromolecules}, volume = {45}, number = {15}, year = {2012}, month = {AUG}, pages = {5967-5978}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We probe temperature-dependent changes in the semicrystalline microstructure of polyoxymethylene using a combination of modulated DSC, SAXS, and solid-state NMR to characterize macroscopic behavior, lamellar-level structure, and molecular environments, respectively, and correlate these with the change in mechanical properties probed using DMA and AFM. Two model samples are investigated: a melt crystallized sample prepared by injection molding and a sample obtained by crystallization from dilute solution. Our investigations reveal that, for both samples, there is an increase in crystalline motions and in the amorphous content on heating. DMA and AFM measurements reveal that the modulus of the molded sample decreases on heating to about 100 degrees C; however, there is a significant difference in behavior of the solution crystals, where we observe no significant decrease in stiffness (from AFM measurements). Thus, in contrast to previous reports, we demonstrate that the decrease in modulus on heating polyoxymethylene does not correlate with chain motions in the crystalline regions. We use SAXS to probe the semicrystalline morphology for the samples on heating and show that, for the molded sample, there is a distribution of lamellar thickness at room temperature and that the thin lamellae in this distribution melt on heating. In contrast to the behavior of the melt crystallized samples, the solution crystals exhibit no change in the lamellar stacking on heating to 150 degrees C. We also demonstrate that, on heating, the amorphous regions in the solution crystals always appear to have restricted mobility while there are mobile and low mobility amorphous regions in the molded samples. Our results suggest that, contrary to conventional belief, the decrease in modulus on heating polyoxymethylene arises not from motions in the crystalline lamellae but primarily from melting of thin lamellae.

}, issn = {0024-9297}, doi = {10.1021/ma3004423}, author = {Kumaraswamy, Guruswamy and Surve, Nikita S. and Mathew, Renny and Rana, Abhimanyu and Jha, Saroj K. and Bulakh, Neelima N. and Nisal, Anuya and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Ratnagiri, Ram} } @article { ISI:000310940500009, title = {Laser synthesized super-hydrophobic conducting carbon with broccoli-type morphology as a counter-electrode for dye sensitized solar cells}, journal = {Nanoscale}, volume = {4}, number = {21}, year = {2012}, month = {NOV}, pages = {6730-6734}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A laser photochemical process is introduced to realize superhydrophobic conducting carbon coatings with broccoli-type hierarchical morphology for use as a metal-free counter electrode in a dye sensitized solar cell. The process involves pulsed excimer laser irradiation of a thin layer of liquid haloaromatic organic solvent o-dichlorobenzene (DCB). The coating reflects a carbon nanoparticle-self assembled and process-controlled morphology that yields solar to electric power conversion efficiency of 5.1\% as opposed to 6.2\% obtained with the conventional Pt-based electrode.

}, issn = {2040-3364}, doi = {10.1039/c2nr32082g}, author = {Gokhale, Rohan and Agarkar, Shruti A. and Debgupta, Joyashish and Shinde, Deodatta and Lefez, Benoit and Banerjee, Abhik and Jog, Jyoti Prakash and More, Mahendra A. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000300458300075, title = {Low plasma albumin levels are associated with increased plasma protein glycation and HbA1c in diabetes}, journal = {Journal of Proteome Research}, volume = {11}, number = {2}, year = {2012}, month = {FEB}, pages = {1391-1396}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Albumin is one of the most abundant plasma proteins and is heavily glycated in diabetes. In this study, we have addressed whether variation in the albumin levels influence glycation of plasma proteins and HbA1c. The study was performed in three systems: (1) streptozotocin (STZ)-induced diabetic mice plasma, (2) diabetic clinical plasma, and (3) in vitro glycated plasma. Diabetic mice and clinical plasma samples were categorized as diabetic high albumin plasma (DHAP) and diabetic low albumin plasma (DLAP) on the basis of their albumin levels. For the in vitro experiment, two albumin levels, high albumin plasma (HAP) and low albumin plasma (LAP), were created by differential depletion of plasma albumin. Protein glycation was studied by using a combination of two-dimensional electrophoresis (2DE), Western blotting, and LC-MSE. In both mice and clinical experiments, an increased plasma protein glycation was observed in DLAP than in DHAP. Additionally, plasma albumin levels were negatively correlated with HbA1c. The in vitro experiment with differential depletion of albumin mechanistically showed that the low albumin levels are associated with increased plasma protein glycation and that albumin competes for glycation with other plasma proteins.

}, keywords = {advanced glycation end products (AGEs), Albumin, glucose, post translational modification}, issn = {1535-3893}, doi = {10.1021/pr201030m}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Kote, Sachin S. and Golegaonkar, Sandeep B. and Chougale, Ashok D. and Shaik, Mahemud L. and Dhande, Nitin L. and Giri, Ashok P. and Shelgikar, Kishore M. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313404400021, title = {Magnetic properties of nanocrystalline CoFe2O4 synthesized by thermal plasma in large scale}, journal = {Materials Chemistry and Physics}, volume = {137}, number = {2}, year = {2012}, month = {DEC}, pages = {586-595}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The paper reports the large scale synthesis of nanoparticles of CoFe2O4 using thermal plasma reactor by gas phase condensation method. The yield of formation was found to be around 15 g h(-1). The magnetic properties of CoFe2O4, synthesized at different reactor powers, were investigated in view of studying the effect of operating parameters of plasma reactor on the structural reorganization leading to the different cation distribution. The values of saturation magnetization, coercivity and remanent magnetization were found to be influenced by input power in thermal plasma. Although the increase in saturation magnetization was marginal (61 emu g(-1) to 70 emu g(-1)) with increasing plasma power; a significant increase in the coercivity (552 Oe to 849 Oe) and remanent magnetization (16 emu g(-1) to 26 emu g(-1)) were also noticed. The Mossbauer spectra showed mixed spinel structure and canted spin order for the as synthesized nanoparticles. The detailed analysis of cation distribution using the Mossbauer spectroscopy and X-ray photoelectron spectroscopy leads to the conclusion that the sample synthesized at an optimized power shows the different site selective states. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Magnetic materials, magnetic properties, Mossbauer spectroscopy, Nanostructures}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2012.10.007}, author = {Nawale, A. B. and Kanhe, Nilesh S. and Patil, K. R. and Reddy, V. R. and Gupta, A. and Kale, B. B. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @article { ISI:000298854300041, title = {Metal and metal oxide nanoparticle synthesis from metal organic frameworks (MOFs): finding the border of metal and metal oxides}, journal = {Nanoscale}, volume = {4}, number = {2}, year = {2012}, month = {DEC}, pages = {591-599}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, for the first time, we report a generalized strategy for the successful synthesis of highly crystalline metal and metal oxide nanoparticles embedded in a carbon matrix by the controlled thermolysis of metal organic frameworks (MOFs). The rationalized synthesis strategy of a broad range of metal and metal oxides nanoparticles, such as Cu/CuO, Co/Co3O4, ZnO, Mn2O3, MgO and CdS/CdO, by thermolysis of MOFs demonstrates for the first time that metal ions with a reduction potential of -0.27 volts or higher present in MOFs always form pure metal nanoparticles during thermolysis in N-2, whereas metal ions with a reduction potential lower than -0.27 volts form metal oxide nanoparticles during thermolysis in N-2. Another point of interest is the fact that we have found a unique relationship between the nanoparticle size and the distance between the secondary building units inside the MOF precursors. Interestingly, the crystallinity of the carbon matrix was also found to be greatly influenced by the environment (N-2 and air) during thermolysis. Moreover, these nanoparticles dispersed in a carbon matrix showed promising H-2 and CO2 adsorption properties depending on the environment used for the thermolysis of MOFs.

}, issn = {2040-3364}, doi = {10.1039/c1nr10944h}, author = {Das, Raja and Pachfule, Pradip and Banerjee, Rahul and Poddar, Pankaj} } @article { ISI:000311240100021, title = {Metal [Zn(II), Cd(II)], 1,10-phenanthroline containing coordination polymers constructed on the skeleton of polycarboxylates: synthesis, characterization, microstructural, and CO2 gas adsorption studies}, journal = {Crystal Growth \& Design}, volume = {12}, number = {11}, year = {2012}, month = {NOV}, pages = {5311-5319}, abstract = {

{Four new coordination polymers have been obtained by the reaction of metal [Zn(II), Cd(II)], 1,10-phenanthroline separately with two carboxylic acids, [biphenyl-4,4{\textquoteright}-dicarboxylic acid (4,4{\textquoteright}-H(2)BDA),and 4,4{\textquoteright}-azodibenzoic acid (4,4{\textquoteright}-H(2)ADA)]. The crystal structures of the resulting complexes of type {[Zn(4,4{\textquoteright}-BDA)(Phen)(2)center dot HCON(CH3)(2)}(n) (1), {[Cd(4,4{\textquoteright}-BDA)(Phen)](2)center dot H2O\

}, author = {Yadav, Pramod Kumar and Kumari, Niraj and Pachfule, Pradip and Banerjee, Rahul and Mishra, Lallan} } @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:000311204900021, title = {Microsatellite mapping identifies TTKST-effective stem rust resistance gene in wheat cultivars VL404 and Janz}, journal = {Molecular Breeding}, volume = {30}, number = {4}, year = {2012}, month = {DEC}, pages = {1757-1765}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Wheat cultivar VL404 carries seedling resistance to Puccinia graminis f. sp. tritici pathotype TTKST. Monogenic segregation for seedling resistance was observed in a VL404/WL711 recombinant inbred line population and the resistance locus was temporarily designated SrVL. Bulked segregant analysis using Diversity Arrays Technology markers located SrVL on chromosome 2BL. Detailed simple sequence repeat mapping placed SrVL between gwm120 and wmc175, both at genetic distances of 3.3 cM. Based on adult plant responses of Janz and VL404 in India and Kenya, we expected these cultivars to carry the same gene against TTKST. A subset of Diamondbird/Janz doubled haploid (DH) population showed monogenic segregation, when tested against TTKST and the locus was temporarily named SrJNZ. SrVL-linked markers gwm120 and wmc175 flanked SrJNZ at a similar genetic distance, thereby confirming our hypothesis. Chromosome 2BL carries Sr9, Sr16 and Sr28. Sr9 is a multi-allelic locus and all known alleles of Sr9 and Sr16 are ineffective against TTKSK and its derivatives. A recombination value of 16.7 cM between Sr9g-linked stripe rust resistance gene Yr7 and SrJNZ in Diamondbird/Janz DH population suggested that SrJNZ is not an allele at the Sr9 locus. Based on comparison of published genetic distances between Lr13, Sr9, Sr28 and Sr16 with that observed in this study, we concluded SrVL and SrJNZ to be Sr28. This gene was contributed by a common parent Gabo, which also exhibited resistance against TTKST. Sr28-linked markers gwm120 and wmc175 confirmed the presence of this gene in a high proportion of Australian cultivars that showed stem rust resistance in Kenya. These markers can be used for marker-assisted pyramiding of Sr28 with other stem rust resistance genes.

}, keywords = {Disease resistance, Markers, Stem rust, Ug99, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9759-y}, author = {Bansal, Urmil K. and Rebecca S. Zwart and Bhavani, Sridhar and Wanyera, Ruth and Gupta, Vidya and Bariana, Harbans S.} } @article { ISI:000306547300013, title = {Microstructural elucidation of self-emulsifying system: effect of chemical structure}, journal = {Pharmaceutical Research}, volume = {29}, number = {8}, year = {2012}, month = {AUG}, pages = {2180-2188}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Self-emulsifying systems (SES) emulsify spontaneously to produce fine oil-in-water emulsion when introduced into aqueous phase. The self-emulsification process plays an important role during formation of emulsion. The objective of current work was to understand and explore the inner structuration of SES through controlled hydration and further to study the influence of additive on the same which ultimately governs performance of final formulation in terms of droplet size. Droplet size of final formulations containing structural analogues of ibuprofen was determined. Microstructural properties of intermediate hydrated regimes of SES were investigated using techniques such as small angle X-ray scattering, differential scanning calorimetry and rheology. The current work established inverse relationship between droplet size of the formulations containing structural analogues of ibuprofen and their Log P values. Microstructural analysis of intermediate hydrated regimes of the prepared samples showed formation of local lamellar structure. Structural analogues of ibuprofen significantly altered microstructure of lamellae which was well correlated with the droplet size of final formulations. In vitro drug release study showed increase in dissolution rate of lipophillic drugs when formulated as SES. The current work emphasizes the fact that tailor-made formulations can be prepared by controlling the properties of intermediate regimes.

}, keywords = {emulsion, flurbiprofen, ibuprofen, ketoprofen, lamellar structure, self-emulsifying system, structural analogues}, issn = {0724-8741}, doi = {10.1007/s11095-012-0746-0}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article { ISI:000308099900044, title = {MOF derived porous carbon-Fe3O4 nanocomposite as a high performance, recyclable environmental superadsorbent}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {37}, year = {2012}, month = {JUN}, pages = {19694-19699}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A high surface area carbon composite with Fe3O4 nanoparticles is synthesized by pyrolysis of an iron containing Metal Organic Framework (MOF). The composite can be prepared by annealing the MOF at different temperatures (500 degrees C and 600 degrees C), each case exhibiting unique properties in terms of the hydrophobic behaviour and surface area, resulting in specific applicability domains. We highlight the exceptional behaviour of this material as a magnetically separable and recyclable superadsorbent for removal and recovery of environmental pollutants (oil/hydrocarbon and dye/phenol).

}, issn = {0959-9428}, doi = {10.1039/c2jm33798c}, author = {Banerjee, Abhik and Gokhale, Rohan and Bhatnagar, Sumit and Jog, Jyoti Prakash and Bhardwaj, Monika and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article {43381, title = {Multiple H2 occupancy of cages of clathrate hydrate under mild condition}, journal = {Journal of the American Chemical Society}, volume = {134}, year = {2012}, month = {MAY}, pages = {9160 - 9162}, abstract = {Experiments were carried out by reacting H(2) gas with N(2) hydrate at a temperature of 243 K and a pressure of 15 MPa. The characterizations of the reaction products indicated that multiple H(2) molecules can be loaded into both large and small cages of structure II clathrate hydrates. The realization of multiple H(2) occupancy of hydrate cages under moderate conditions not only brings new insights into hydrogen clathrates but also refreshes the perspective of clathrate hydrates as hydrogen storage media.}, doi = {10.1021/ja303222u}, author = {Lu, Hailong and Wang, Jianwei and Liu, Changling and Ratcliffe, Christopher I. and Becker, Udo and Kumar, Rajnish and Ripmeester, John A.} } @article { ISI:000298662500033, title = {MYB8 Controls inducible phenolamide levels by activating three novel hydroxycinnamoyl-coenzyme a:polyamine transferases in nicotiana attenuata}, journal = {Plant Physiology}, volume = {158}, number = {1}, year = {2012}, month = {JAN}, pages = {389-407}, publisher = {AMER SOC PLANT BIOLOGISTS}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {

A large number of plants accumulate N-acylated polyamines (phenolamides [PAs]) in response to biotic and/or abiotic stress conditions. In the native tobacco (Nicotiana attenuata), the accumulation of two major PAs, caffeoylputrescine and dicaffeoylspermidine (DCS), after herbivore attack is known to be controlled by a key transcription factor, MYB8. Using a broadly targeted metabolomics approach, we show that a much larger spectrum of PAs composed of hydroxycinnamic acids and two polyamines, putrescine and spermidine, is regulated by this transcription factor. We cloned several novel MYB8-regulated genes, annotated as putative acyltransferases, and analyzed their function. One of the novel acyltransferases (AT1) is shown to encode a hydroxycinnamoyl-coenzyme A: putrescine acyltransferase responsible for caffeoylputrescine biosynthesis in tobacco. Another gene (acyltransferase DH29), specific for spermidine conjugation, mediates the initial acylation step in DCS formation. Although this enzyme was not able to perform the second acylation toward DCS biosynthesis, another acyltransferase gene, CV86, proposed to act on monoacylated spermidines, was isolated and partially characterized. The activation of MYB8 in response to herbivore attack and associated signals required the activity of LIPOXYGENASE3, a gene involved in jasmonic acid (JA) biosynthesis in N. attenuata. These new results allow us to reconstruct a complete branch in JA signaling that defends N. attenuata plants against herbivores: JA via MYB8{\textquoteright}s transcriptional control of AT1 and DH29 genes controls the entire branch of PA biosynthesis, which allows N. attenuata to mount a chemically diverse (and likely efficient) defense shield against herbivores.

}, issn = {0032-0889}, doi = {10.1104/pp.111.187229}, author = {Onkokesung, Nawaporn and Gaquerel, Emmanuel and Kotkar, Hemlata and Kaur, Harleen and Baldwin, Ian T. and Galis, Ivan} } @article { ISI:000299291900033, title = {Nanocomposite silica surfactant microcapsules by evaporation induced self assembly: tuning the morphological buckling by modifying viscosity and surface charge}, journal = {Soft Matter}, volume = {8}, number = {6}, year = {2012}, month = {DEC}, pages = {1955-1963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nanocomposite microcapsules of silica and surfactants have been synthesized using evaporation induced self-assembly through spray drying. It was established using electron microscopy and small-angle neutron/X-ray scattering experiments that the viscosity of the virgin dispersion and surface charge of colloidal components play a significant role in the buckling of spray droplets during drying. Hollow spherical grains are realized at relatively low viscosity and higher surface charge while mushroom like grains manifest at higher viscosity and lower surface charge. In the intermediate conditions, deformed doughnut shaped microcapsules are obtained. Scattering experiments establish the presence of the organization of micelle like aggregates of surfactants in the dried grains and also corroborate with the observations from electron microscopy. A plausible mechanism regarding the chronological pathways of morphological transformation is illustrated. Computer simulation, based on buckling of an elastic shell using a surface evolver, has been attempted in order to corroborate the experimental results.

}, issn = {1744-683X}, doi = {10.1039/c1sm06964k}, author = {Sen, D. and Bahadur, Jitendra and Mazumder, S. and Verma, G. and Hassan, P. A. and Bhattacharya, S. and Vijai, K. and Doshi, Pankaj} } @article {42496, title = {New chemodosimetric reagents as ratiometric probes for cysteine and homocysteine and possible detection in living cells and in blood plasma}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {NOV}, pages = {15382{\textendash}15393}, abstract = {

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

}, keywords = {charge transfer; chemodosimetric detection; cysteine/ homocysteine sensors; fluorescent probes; imaging agents; ratiometric probes}, doi = {10.1002/chem.201201621}, author = {Das, Priyadip and Mandal, Amal Kumar and Chandar, Nellore Bhanu and Baidya, Mithu and Bhatt, Harshad B. and Ganguly, Bishwajit and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000308628900033, title = {New synthetic route for 1,2-diketo compounds using unexpected C-C bond cleavage by PCC}, journal = {Tetrahedron Letters}, volume = {53}, number = {39}, year = {2012}, month = {SEP}, pages = {5327-5330}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, issn = {1477-9226}, doi = {10.1039/c1dt11350j}, author = {Bhunia, Manas K. and Das, Swapan K. and Pachfule, Pradip and Banerjee, Rahul and Bhaumik, Asim} } @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:000305112000030, title = {Novel microwave assisted sol-gel synthesis (MW-SGS) and electrochromic performance of petal like h-WO3 thin films}, journal = {Materials Research Bulletin}, volume = {47}, number = {7}, year = {2012}, month = {JUL}, pages = {1787-1793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, author = {Milstein, David and Balaraman, Ekambaram and Gunanathan, Chidambaram and Gnanaprakasam, Boopathy and Zhang, Jing} } @article {42644, title = {Novel solid cloisite tin catalyzed polymerization of L-lactide}, journal = {Journal of Chemistry and Chemical Engineering}, volume = {6}, year = {2012}, month = {JAN}, pages = { 54-60 }, abstract = {

A novel cloisite modified solid catalyst was prepared in a single step from commercially available starting materials for the first time. The ring opening polymerization of L-lactide and D-lactide using this cloisite modified solid catalyst resulted in homopolymers of 75,000 and PDI = 1.6 and the maximum molecular weight (Mw) i.e. 180,000 with PDI = 1.9 were obtained. The catalytic activity of cloisite modified solid catalyst was compared with the conventional stannous octoate catalyst and found superior to stannous octoate in all respect such as conversion, molecular weight and molecular weight distribution etc.. Moreover, the maximum molecular weight i.e. 180,000was obtained at 220 o C, whereas, transesterification reaction predominate in presence of stannous octoate. The linear structure was confirmed by quantitative 13C NMR Spectroscopy. Blend films were obtained by casting mixed solutions of poly (D-lactide) and poly (L lactide) at various compositions, and stereocomplex was formed at 50/50 composition with molecular weight of 75,000.

}, author = {Selukar, Balaji Sidram and Pandey, Asutosh Kumar and Nande, Smita Sunil and Bansode, Avinash Santram and Garnaik, Baijayantimala} } @article { ISI:000299290200019, title = {One-dimensional confinement of a nanosized metal organic framework in carbon nanofibers for improved gas adsorption}, journal = {Chemical Communications}, volume = {48}, number = {14}, year = {2012}, month = {DEC}, pages = {2009-2011}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The loading of a Zn-terephthalate based MOF in the inner cavity as well as on the outer walls of a hollow carbon nanofiber (CNF) creates MOF@CNF hybrids. This hybrid {\textquoteleft}{\textquoteleft}MOF@CNF{\textquoteright}{\textquoteright} displayed improved thermal stability as well as gas adsorption compared to the individual counterparts.

}, issn = {1359-7345}, doi = {10.1039/c2cc16877d}, author = {Pachfule, Pradip and Balan, Beena K. and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000311698800036, title = {One-pot sol-gel preparation for efficient cobalt-molybdenum-titania hydrotreating catalysts}, journal = {Chemcatchem}, volume = {4}, number = {12}, year = {2012}, month = {DEC}, pages = {2112-2120}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Titania-based hydrodesulfurization catalysts were prepared by using a one-pot solgel method with the titanium peroxo complex as titanium precursor and molybdenum and cobalt precursors dissolved in the aqueous hydrogen peroxide solution used during synthesis. Catalysts with MoO3 loadings varying from 5 to 40 wt?\% and a Co/Mo atomic ratio of 0.5 were prepared. Solids with molybdenum loadings below 20 wt?\% MoO3 demonstrated poor hydrodesulfurization activity for the model compound thiophene. This was attributed to the presence of a large amount of embedded cobalt and molybdenum species in the titania matrix. A significant increase in the catalytic activity was observed for solids containing 20 and 25 wt?\% of MoO3 on which active species appeared to be accessible on the titania surface. Furthermore, the highest conversion obtained on these solgel solids was superior to the highest conversion obtained on reference catalysts prepared through the impregnation of ammonium heptamolybdate and cobalt nitrate on commercial titania.

}, keywords = {cobalt, heterogeneous catalysis, Molybdenum, sol-gel process, titanium}, issn = {1867-3880}, doi = {10.1002/cctc.201200165}, author = {Nguyen, D. L. and Gillot, S. and Souza, D. O. and Blanchard, P. and Lamonier, Carole and Berrier, E. and Kotbagi, T. V. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Cristol, S. and Payen, E. and Lancelot, Christine} } @article { ISI:000300929600025, title = {Photopolymerization kinetics of 2-phenylethyl (meth) acrylates studied by photo DSC}, journal = {Journal of Polymer Research}, volume = {19}, number = {2}, year = {2012}, month = {JAN}, pages = {9811}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The present work deals with the photopolymerization of 2-phenylethyl (meth)acrylates and estimation of their kinetic parameters. Formulations were made by independently homogenizing the monomers with photoinitiators of two different classes. Two different compositions of photoinitiators were used to study the effect of concentration of photoinitiator on cure kinetics. These compositions obtained were tested for photo curing performance using differential photocalorimetry (DPC) or photo DSC under polychromatic radiation. The heat flow against time was recorded for all formulations under isothermal conditions and the rates of polymerization as well as the percentage conversions were estimated. It was observed that due to a longer timescale for reaction diffusion, the methacrylate formulations showed a higher conversion than acrylate formulations. Other parameters such as induction time, maximum rate and conversion attained as well as the time to attain peak maximum were noted. The photopolymerization and kinetic estimations of the formulations including evaluation of kinetic models are discussed.

}, keywords = {Bimolecular termination model, Photo DSC, Photopolymerization, Variable autocatalytic model}, issn = {1022-9760}, doi = {10.1007/s10965-011-9811-3}, author = {Ghorpade, Ravindra V. and Bhosle, Sonali Madhavrao and Ponrathnam, S. and Rajan, C. R. and Chavan, Nayaku and Harikrishna, Reghunathan} } @article {42516, title = {Photosensitization of nanoparticulate TiO2 using a Re(I)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, year = {2012}, month = {APR}, pages = {8192-8198}, abstract = {

We have synthesized a new photoactive rhenium(I)-complex having a pendant catechol functionality [Re(CO)3Cl(L)] (1) (L is 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) for studying the dynamics of the interfacial electron transfer between nanoparticulate TiO2 and the photoexcited states of this Re(I)-complex using femtosecond transient absorption spectroscopy. Our steady state absorption studies revealed that complex 1 can bind strongly to TiO2 surfaces through the catechol functionality with the formation of a charge transfer (CT) complex, which has been confirmed by the appearance of a new red-shifted CT band. The longer wavelength absorption band for 1, bound to TiO2 through the proposed catecholate functionality, could also be explained based on the DFT calculations. Dynamics of the interfacial electron transfer between 1 and TiO2 nanoparticles was investigated by studying kinetics at various wavelengths in the visible and near infrared regions. Electron injection into the conduction band of the nanoparticulate TiO2 was confirmed by detection of the conduction band electron in TiO2 (Image ID:c2cp24105f-t1.gif) and the cation radical of the adsorbed dye (1˙+) in real time as monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\<100 fs) electron injection was observed. Back electron transfer dynamics was determined by monitoring the decay kinetics of 1˙+ and Image ID:c2cp24105f-t2.gif.

}, doi = {10.1039/C2CP24105F}, author = {Kar, Prasenjit and Banerjee, Tanmay and Verma, Sandeep and Sen, Anik and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra N.} } @article { ISI:000307184100001, title = {Phylogenomic analysis of UDP glycosyltransferase 1 multigene family in Linum usitatissimum identified genes with varied expression patterns}, journal = {BMC Genomics}, volume = {13}, year = {2012}, month = {MAY}, pages = {175}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: The glycosylation process, catalyzed by ubiquitous glycosyltransferase (GT) family enzymes, is a prevalent modification of plant secondary metabolites that regulates various functions such as hormone homeostasis, detoxification of xenobiotics and biosynthesis and storage of secondary metabolites. Flax (Linum usitatissimum L.) is a commercially grown oilseed crop, important because of its essential fatty acids and health promoting lignans. Identification and characterization of UDP glycosyltransferase (UGT) genes from flax could provide valuable basic information about this important gene family and help to explain the seed specific glycosylated metabolite accumulation and other processes in plants. Plant genome sequencing projects are useful to discover complexity within this gene family and also pave way for the development of functional genomics approaches. Results: Taking advantage of the newly assembled draft genome sequence of flax, we identified 137 UDP glycosyltransferase (UGT) genes from flax using a conserved signature motif. Phylogenetic analysis of these protein sequences clustered them into 14 major groups (A-N). Expression patterns of these genes were investigated using publicly available expressed sequence tag (EST), microarray data and reverse transcription quantitative real time PCR (RT-qPCR). Seventy-three per cent of these genes (100 out of 137) showed expression evidence in 15 tissues examined and indicated varied expression profiles. The RT-qPCR results of 10 selected genes were also coherent with the digital expression analysis. Interestingly, five duplicated UGT genes were identified, which showed differential expression in various tissues. Of the seven intron loss/gain positions detected, two intron positions were conserved among most of the UGTs, although a clear relationship about the evolution of these genes could not be established. Comparison of the flax UGTs with orthologs from four other sequenced dicot genomes indicated that seven UGTs were flax diverged. Conclusions: Flax has a large number of UGT genes including few flax diverged ones. Phylogenetic analysis and expression profiles of these genes identified tissue and condition specific repertoire of UGT genes from this crop. This study would facilitate precise selection of candidate genes and their further characterization of substrate specificities and in planta functions.

}, issn = {1471-2164}, doi = {10.1186/1471-2164-13-175}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article { ISI:000310934400049, title = {Polybenzimidazole mediated N-doping along the inner and outer surfaces of a carbon nanofiber and its oxygen reduction properties}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {44}, year = {2012}, month = {NOV}, pages = {23668-23679}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nitrogen-doped (N-doped) hollow carbon nanofiber (CNF) was synthesized by incorporating a nitrogen containing polymer precursor, polybenzimidazole (PBI-BuI), in the inner cavity as well as on the outer walls of the CNF, followed by a high temperature treatment. PBI-BuI incorporation along the inner and outer surface of the CNF was accomplished by synthesizing a low molecular weight polymer by tuning the synthetic parameters. The solution concentration of the PBI-BuI is also varied to facilitate its entry into the CNF by capillary action. The high temperature treatment (700-1000 degrees C) of the resulting CNF-PBI material decomposes the polymer and induces N-doping along the inner and outer surfaces of the CNF. The initial PBI-BuI content and the annealing temperature are also systematically varied to choose the right combination of starting precursors and heat-treatment conditions. Detailed X-ray photoelectron spectroscopy analysis of the samples shows that pyridinic-type nitrogen is the major component in all the samples. Electrochemical characterizations of this material using cyclic voltammetry, rotating disc electrode studies and durability analysis demonstrated that this material can act as a metal-free oxygen reduction electrocatalyst with improved oxygen reduction kinetics and stability. It is also revealed that the onset potential, limiting current density, number of transferred electrons, etc. have a strong dependence on the annealing temperature.

}, issn = {0959-9428}, doi = {10.1039/c2jm35033e}, author = {Balan, Beena K. and Manissery, Aiswarya Padinhare and Chaudhari, Harshal D. and Kharul, Ulhas K. and Kurungot, Sreekumar} } @article { ISI:000300529100034, title = {Polymeric ionic liquids (PILs): effect of anion variation on their CO2 sorption}, journal = {Journal of Membrane Science}, volume = {389}, year = {2012}, month = {FEB}, pages = {305-315}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of polymeric ionic liquids (PILs) based on poly(diallyldimethylammonium chloride), P[DADMA][Cl] as a precursor was investigated by varying anions categorized into carboxylates, sulphonates and inorganic type. For the exchange of chloride from P[DADMA][Cl] by another anion, silver salt of the corresponding anion was preferred. Obtained PILs were investigated for physical properties which are anticipated to affect gas sorption. PILs possessing carboxylate (especially acetate) anion exhibited attractive CO2 sorption capacity as well as sorption selectivity over H-2 and N-2, in Comparison to Other two Categories. PIL with acetate anion, P[DADMA][Ac] possessed appreciable CO2 sorption coupled with high selectivity (S-CO2/S-N2 = 114.3). This crucial finding from this series of PILs was further substantiated by making PIL based on poly(vinylbenzyltrimethylammonium chloride), P[VBTMA][Cl] as a precursor. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Anion exchange, CO2 sorption, Polymeric ionic liquid}, issn = {0376-7388}, doi = {10.1016/j.memsci.2011.10.042}, author = {Bhavsar, Rupesh S. and Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @article { ISI:000303366000001, title = {Polymorphs, salts, and cocrystals: what{\textquoteright}s in a name?}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2147-2152}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable {\textquoteleft}{\textquoteleft}API-excipient{\textquoteright}{\textquoteright} molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.

}, issn = {1528-7483}, doi = {10.1021/cg3002948}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Variankaval, Narayan and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000306942300059, title = {Polymorphs, salts and cocrystals: what{\textquoteright}s in a name? (vol 12, pg 2147, 2012)}, journal = {Crystal Growth \& Design}, volume = {12}, number = {8}, year = {2012}, month = {AUG}, pages = {4290-4291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {1528-7483}, doi = {10.1021/cg300704b}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000311522500055, title = {Porous ZnO nanorod for targeted delivery of doxorubicin: in vitro and in vivo response for therapeutic applications}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {45}, year = {2012}, month = {DEC}, pages = {24145-24154}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cancer cell specific targeted delivery (TDD) by porous nanocarrier is on a high role. Here in a simple route for the synthesis of porous ZnO nanorods (ZnO) has been demonstrated. ZnO expressed very high surface area of 305.14 m(2) g(-1) (S-BET) and uniformly distributed pores of 5 nm. In continuation ZnO has been fabricated with 3-aminophosphonic acid followed by folic acid to yield folate conjugated porous ZnO nanorod (ZnO-FA). High surface area, uniformly distributed pores on its surface make the nanocarrier suitable for high drug loading (88\%) of the anticancer drug doxorubicin (DOX). A pH triggered drug release was observed with minimum release in pathophysical conditions. In vitro efficacy of DOX loaded ZnO-FA (ZnO-FA-DOX) has been evaluated against breast cancer cells MDA-MB-231, which is not possible alone by DOX or ZnO-FA. Targeted scaffold with pendant -NH2 group has been covalently bonded with fluorescent dye (RITC) for cellular uptake and imaging studies in MDA-MB-231 cells; the possible pathway for cancer regression has also been evaluated. Even in vivo acute and intravenous toxicological evaluation on murine model system complemented biocompatibility of ZnO-FA in TDD. All together we have collaged a template free synthesis of porous ZnO nanorod, successful targeting on to cancer cells, high drug loading, pH triggered drug release, in vitro efficacy of ZnO-FA-DOX against MDA-MB-231 cells and in vivo compatibility as well. We envisioned the future prospect of porous ZnO nanostructures in TDD.

}, issn = {0959-9428}, doi = {10.1039/c2jm35013k}, author = {Mitra, Shouvik and Subia, B. and Patra, Prasun and Chandra, Sourov and Debnath, Nitai and Das, Sumistha and Banerjee, Rahul and Kundu, Subhas C. and Pramanik, Panchanan and Goswami, Arunava} } @article {42447, title = {Practical and general diels-alder reaction of pentafulvenes with arynes}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {AUG}, pages = {4098{\textendash}4101}, abstract = {

A high-yielding, versatile and practical Diels{\textendash}Alder reaction of pentafulvenes with arynes under mild reaction conditions is reported. The aryne generated by the fluoride induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes efficient cycloaddition with 6-substituted and 6,6-disubstituted pentafulvenes leading to the formation of benzonorbornadiene derivatives.

}, doi = {10.1021/ol301742k}, author = {Bhojgude, Sachin Suresh and Kaicharla, Trinadh and Bhunia, Anup and Biju, Akkattu T.} } @article { ISI:000300339800033, title = {Practical syntheses of proposed and revised manzacidin B and their congeners}, journal = {Organic Letters}, volume = {14}, number = {4}, year = {2012}, month = {FEB}, pages = {1082-1085}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A concise and highly stereoselective total synthesis of manzacidin B and its congeners has been developed following chelation-controlled syn-epoxidation and Lewis acid catalyzed intramolecular regioselective epoxide ring opening to generate the quarternary amine center. Elaboration of the triol moiety to the target molecule was achieved in good overall yield, representing practical total syntheses of manzacidin B and its congeners. From the XRD, NMR, and analytical data, the correct structure of natural manzacidin B, (4R,5R,6R)-6, was confirmed.

}, issn = {1523-7060}, doi = {10.1021/ol203466m}, author = {Sankar, Kuppusamy and Rahman, Hasibur and Das, Pragna P. and Bhimireddy, Eswar and Sridhar, B. and Mohapatra, Debendra K.} } @article { ISI:000310901200014, title = {Preferential oxidation of CO on Ni/CeO2 catalysts in the presence of excess H-2 and CO2}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {107}, number = {2}, year = {2012}, month = {DEC}, pages = {405-419}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Preferential oxidation of CO (CO-PROX) was carried out over Ni supported on CeO2 prepared by the co-precipitation method. The influence of metal loadings (2.5, 5 and 10 wt.\% Ni) and the reaction conditions such as reaction temperature and feed composition on CO oxidation and oxidation selectivity were evaluated by using dry reformate gas. No other reactions like CO or CO2 methanation, coking, reverse water gas shift (RWGS) reaction is observed in the temperature range of 100-200 A degrees C on these catalysts. Hydrogen oxidation dominates over CO oxidation above the temperature of 200 A degrees C. An increase in oxygen leads to an increase in CO conversion but a simultaneous decrease in the O-2 selectivity. It has been noticed that 5 and 10 \% Ni/CeO2 show better catalytic activity towards CO-PROX reaction. These catalysts were characterized by S-BET, XRD, TEM, XPS and H-2-TPR.

}, keywords = {CeO2, CO-PROX, fuel cells, Methanation, Ni}, issn = {1878-5190}, doi = {10.1007/s11144-012-0477-6}, author = {Malwadkar, Sachin S. and Bera, Parthasarathi and Hegde, M. S. and Satyanarayana, C. V. V.} } @article { ISI:000300467100007, title = {Preparation of pure methyl esters from corresponding alkali metal salts of carboxylic acids using carbon dioxide and methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {4}, year = {2012}, month = {FEB}, pages = {1498-1505}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present article, for the first time, we report the synthesis of alkyl esters by direct esterification of alkali metal salts of carboxylic acids using carbon dioxide and alcohol. Methyl acetate, methyl benzoate, methyl salicylate, and methyl lactate have been synthesized by esterification of sodium acetate, sodium benzoate, sodium salicylate, and calcium lactate, respectively. The esterification reaction was carried out in a batch as well as in a semicontinuous mode of operation. A detailed study on the esterification of calcium lactate using methanol and carbon dioxide was carried out to record the effects of various operating parameters (like CO2 pressure, reaction temperature, moisture content in the calcium lactate, and initial concentrations of calcium lactate) on the esterification reaction. This synthesis route produces highly pure methyl lactate by direct esterification of calcium lactate with calcium carbonate as byproduct. The byproduct calcium carbonate was characterized for its crystallinity, surface area, and pore volume. The process route has the advantage that the synthesized byproduct can be recycled into the fermenter to make corresponding alkali metal lactate or the finely precipitated calcium carbonate can be used for various other applications. Thus, the recovery and recycle of alkali metal is possible providing a pollution free process for synthesis of pure methyl lactate.

}, issn = {0888-5885}, doi = {10.1021/ie200632v}, author = {Barve, Prashant P. and Kamble, Sanjay P. and Joshi, Jyeshtharaj B. and Gupte, Milind Y. and Kulkarni, Bhaskar D.} } @article { ISI:000300474900013, title = {Probing influence of mesophasic transformation on performance of self-emulsifying system: effect of ion}, journal = {Molecular Pharmaceutics}, volume = {9}, number = {2}, year = {2012}, month = {FEB}, pages = {318-324}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Self-emulsifying systems are mixtures of oils and surfactants, ideally isotropic, sometimes including cosolvents, which emulsify under conditions of gentle agitation, similar to those which would be encountered in the gastrointestinal tract. The process of self-emulsification has remained the center of attraction for most researchers. Controlled hydration of self-emulsifying systems shows formation of an intermediate gel phase which upon rupture forms an emulsion. Current work was undertaken to understand and explore the microstructural properties of intermediate gel phase which are believed to influence the performance (droplet size) of the final formulation. The effect of additives on microstructural properties of intermediate gel phase has also been investigated. Microstructural elucidation of hydrated samples of intermediate regimes was done by using techniques such as small angle X-ray scattering, differential scanning calorimetry and rheology. Samples from intermediate regimes showed formation of local lamellar structure which swelled with hydration. In the present work, the effect of addition of salt form of naproxen (sodium and potassium) and naproxen (base) on microstructural properties of intermediate regimes was investigated. Systems containing naproxen salts formed larger droplets whereas naproxen base formed smaller ones. Microstructural properties of intermediate lamellar structures were well correlated with performance of the final formulation. The current studies indicate that by controlling the properties of intermediate regimes optimized formulations with desired performance can be tailor-made.

}, keywords = {emulsion, lamellar structure, liquid crystal, Microstructure, Naproxen, self-emulsifying system}, issn = {1543-8384}, doi = {10.1021/mp200541r}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article { ISI:000311925900060, title = {Proteome profiling of flax (linum usitatissimum) seed: characterization of functional metabolic pathways operating during seed development}, journal = {Journal of Proteome Research}, volume = {11}, number = {12}, year = {2012}, month = {DEC}, pages = {6264-6276}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Flax (Linum usitatissimum L.) seeds are an important source of food and feed due to the presence of various health promoting compounds, making it a nutritionally and economically important plant. An in-depth analysis of the proteome of developing flax seed is expected to provide significant information with respect to the regulation and accumulation of such storage compounds. Therefore, a proteomic analysis of seven seed developmental stages (4, 8, 12, 16, 22, 30, and 48 days after anthesis) in a flax variety, NL-97 was carried out using a combination of ID-SDS-PAGE and LC-MSE methods. A total 1716 proteins were identified and their functional annotation revealed that a majority of them were involved in primary metabolism, protein destination, storage and energy. Three carbon assimilatory pathways appeared to operate in flax seeds. Reverse transcription quantitative PCR of selected 19 genes was carried out to understand their roles during seed development. Besides storage proteins, methionine synthase, RuBisCO and S-adenosylmethionine synthetase were highly expressed transcripts, highlighting their importance in flax seed development. Further, the identified proteins were mapped onto developmental seed specific expressed sequence tag (EST) libraries of flax to obtain transcriptional evidence and 81\% of them had detectable expression at the mRNA level. This study provides new insights into the complex seed developmental processes operating in flax.

}, keywords = {alpha-linolenic acid, carbon flux, Digital expression analysis, flax seed development, MSE, secoisolariciresinol diglucoside}, issn = {1535-3893}, doi = {10.1021/pr300984r}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Kadoo, Narendra Y. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000298860100004, title = {Proteomic analysis of glycated proteins from streptozotocin-induced diabetic rat kidney}, journal = {Molecular Biotechnology}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {28-38}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Glycation of proteins leading to formation of advanced glycation end products (AGEs) has been considered as one of the important causes of diabetic nephropathy. Therefore, in this study, glycated proteins were detected by anti-AGE antibodies from kidney of streptozotocin-induced diabetic rat showing nephropathic symptoms, by using two dimensional electrophoresis and western blot analysis. These glycated proteins were identified and characterized by using combination of peptide mass finger printing and tandem mass spectrometric approaches. Glycated proteins identified included proteins from metabolic pathways, oxidative stress, cell signaling, and transport. Several of the proteins modified by glycation were involved in glucose metabolism. The extent of glycation was higher in diabetes compared to control, in the glycated proteins that were common to both control and diabetic kidney. Two dimensional electrophoresis proteins profiling of glycated proteins suggest that four of the glycated proteins were significantly up regulated in diabetes.

}, keywords = {AGE, Diabetes, Glucose toxicity, Nephropathy, Post-translation modification}, issn = {1073-6085}, doi = {10.1007/s12033-011-9409-3}, author = {Chougale, Ashok D. and Bhat, Shweta P. and Bhujbal, Swapnil V. and Zambare, Mandar R. and Puntambekar, Shraddha and Somani, Rahul S. and Boppana, Ramanamurthy and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article { ISI:000300202400005, title = {Purification and characterization of YxeI, a penicillin acylase from Bacillus subtilis}, journal = {International Journal of Biological Macromolecules}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports the purification and characterization of the first penicillin acylase from Bacillus subtilis. YxeI, the protein annotated as hypothetical, coded by the gene yxeI in the open reading frame between iol and hut operons in B. subtilis was cloned and expressed in Eshcherichia coli, purified and characterized. The purified protein showed measurable penicillin acylase activity with penicillin V. The enzyme was a homotetramer of 148 kDa. The apparent Km of the enzyme for penicillin V and the synthetic substrate 2-nitro-5-(phenoxyacetamido)-benzoic acid was 40 mM and 0.63 mM, respectively, and the association constants were 8.93 x 10(2) M-1 and 2.51 x 10(5) M-1, respectively. It was inhibited by cephalosporins and conjugated bile salts, substrates of the closely related bile acid hydrolases. It had good sequence homology with other penicillin V acylases and conjugated bile acid hydrolases, members of the Ntn hydrolase family. The N-terminal nucleophile was a cysteine which is revealed by a simple removal of N-formyl-methionine. The activity of the protein was affected by high temperature, acidic pH and the presence of the denaturant guanidine hydrochloride. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Bacillus subtilis, Conjugated bile acid hydrolases, Ntn hydrolase, Penicillin acylase}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.09.018}, author = {Rathinaswamy, Priya and Gaikwad, Sushama M. and Suresh, C. G. and Prabhune, Asmita and Brannigan, James A. and Dodson, Guy G. and Pundle, Archana V.} } @article { ISI:000300467100008, title = {Purification of lactic acid via esterification of lactic acid using a packed column, followed by hydrolysis of methyl lactate using three continuously stirred tank reactors (CSTRs) in series: a continuous pilot plant study}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {4}, year = {2012}, month = {FEB}, pages = {1506-1514}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The world market of lactic acid is growing every year, mainly as a solvent and precursor to poly(lactic acid) (PLA). The cost of renewable biomass-derived PLA will have to compete with other synthetic polymers, if it is to grab a significant and sustainable fraction of the market share. It is thus necessary to have efficient and cost-effective technology for the production of pure-grade lactic acid (LA). In this article, a novel cost-effective, eco-friendly continuous process for the production of high-quality lactic acid at pilot plant scale has been demonstrated. The novelty of this process is that, for the first time, we report and use the concept of inverse reactive distillation for the esterification of crude concentrated LA in a continuous countercurrent packed column mode. This allows us to operate the column at higher temperatures, improving the kinetic rate process and leading to shorter columns. This is followed by the hydrolysis of methyl lactate (MLA) in a series of three continuously stirred tank reactors (CSTRs), where LA itself acts as a catalyst. The LA obtained in the pilot plant process shows 99.81\% purity (by weight) on water-free basis and has an optical purity of 99.9\%. The pilot scale experimental results pertaining to the autocatalytic esterification of LA and hydrolysis of MLA have been compared and validated, with respect to simulated results. The innovations reported here can make the process economically viable for commercial use.

}, issn = {0888-5885}, doi = {10.1021/ie200642j}, author = {Kamble, Sanjay P. and Barve, Prashant P. and Joshi, Jyeshtharaj B. and Rahman, Imran and Kulkarni, Bhaskar D.} } @article { ISI:000302639600011, title = {Quantum dot bio-conjugate: as a western blot probe for highly sensitive detection of cellular proteins}, journal = {Journal of Nanoparticle Research}, volume = {14}, number = {3}, year = {2012}, month = {MAR}, pages = {732}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

In the present study, we report a quantum dot (QD)-tailored western blot analysis for a sensitive, rapid and flexible detection of the nuclear and cytoplasmic proteins. Highly luminescent CdTe and (CdTe) ZnS QDs are synthesized by aqueous method. High resolution transmission electron microscopy, Raman spectroscopy, fourier transform infrared spectroscopy, fluorescence spectroscopy and X-ray diffraction are used to characterize the properties of the quantum dots. The QDs are functionalized with antibodies of prostate apoptosis response-4 (Par-4), poly(ADP-ribose) polymerases and beta actin to specifically bind with the proteins localized in the nucleus and cytoplasm of the cells, respectively. The QD-conjugated antibodies are used to overcome the limitations of conventional western blot technique. The sensitivity and rapidity of protein detection in QD-based approach is very high, with detection limits up to 10 pg of protein. In addition, these labels provide the capability of enhanced identification and localization of marker proteins in intact cells by confocal laser scanning microscopy.

}, keywords = {Detection, Imaging, nanomedicine, quantum dot, Rapid, sensors, Western blot}, issn = {1388-0764}, doi = {10.1007/s11051-012-0732-9}, author = {Kale, Sonia and Kale, Anup and Gholap, Haribhau and Rana, Abhimanyu and Desai, Rama and Banpurkar, Arun G. and Ogale, Satishchandra and Shastry, Padma} } @article { ISI:000312148500013, title = {Rapid microwave synthesis of fluorescent hydrophobic carbon dots}, journal = {RSC Advances}, volume = {2}, number = {32}, year = {2012}, month = {OCT}, pages = {12129-12131}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Fluorescent hydrophobic carbon dots (HCDs) have been fabricated from a poloxamer by a simple microwave assisted process within a few minutes for the first time. Small and distinct spherical HCDs emitted bright blue and green fluorescent light depending upon the excitation wavelength and were dispersed easily in a wide variety of organic solvents. HCDs exhibited excellent water resistant behavior with a contact angle of similar to 122 degrees enforcing good hydrophobic character which will be quite useful in potential surface applications.

}, issn = {2046-2069}, doi = {10.1039/c2ra21048g}, author = {Mitra, Shouvik and Chandra, Sourov and Kundu, Tanay and Banerjee, Rahul and Pramanik, Panchanan and Goswami, Arunava} } @article { ISI:000303083900011, title = {Reactive polymers bearing styrene pendants through selective anionic polymerization of 4-vinylbenzyl methacrylate}, journal = {Macromolecules}, volume = {45}, number = {8}, year = {2012}, month = {APR}, pages = {3387-3393}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Selective anionic polymerization of 4-vinylbenzyl methacrylate at methacrylate site has been achieved using resonance stabilized anionic initiators such as 1,1-diphenylhexyllithium (DPHLi) and tritylpotassium (TritylK) in tetrahydrofuran (THF) at -78 degrees C. Polymerization proceeded selectively through methacrylate functionality of the monomer in a controlled manner and produced polymers and copolymers with narrow molecular weight distribution at low temperatures (\<=-40 degrees C). H-1 NMR of the polymer showed the presence of styrene pendants in every monomeric repeating unit. The polymerization results confirm that the resonance stabilized carbanions with an optimum pK(a) (30 \<= pK(a) \<= 32) of their conjugate acids such as DPHLi and TritylK do not react with styrene functionality at 78 degrees C. The selective initiation without cross-linking is attributed to the differences in the electronegativity between polar methacrylate and styrene functionalities and an attenuation of initiator reactivity at low temperature. Poly(4-vinylbenzyl methacrylate) and its copolymers with the vinyl pendant in close proximity with ester linkage are very reactive and unstable, readily undergoing cross-linking in solution or in solid state with or without a radical initiator.

}, issn = {0024-9297}, doi = {10.1021/ma202750b}, author = {Mohan, Y. Murali and Raghunadh, V. and Sivaram, S. and Baskaran, D.} } @article { ISI:000301985300008, title = {Recent advances in transition-metal-free carbon-carbon and carbon-heteroatom bond-forming reactions using arynes}, journal = {Chemical Society Reviews}, volume = {41}, number = {8}, year = {2012}, month = {JAN}, pages = {3140-3152}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This tutorial review is aimed at highlighting recent developments in transition-metal-free carbon-carbon and carbon-heteroatom bond-forming reactions utilizing a versatile class of reactive intermediates, viz., arynes, which hold the potential for numerous applications in organic synthesis. Key to the success of the resurgence of interest in the rich chemistry of arynes is primarily the mild condition for their generation by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates. Consequently, arynes have been employed for the construction of multisubstituted arenes with structural diversity and complexity. The versatile transition-metal-free applications of arynes include cycloaddition reactions, insertion reactions and multicomponent reactions. In addition, arynes have found applications in natural product synthesis. Herein, we present a concise account of the major developments that occurred in this field during the past eight years.

}, issn = {0306-0012}, doi = {10.1039/c2cs15310f}, author = {Bhunia, Anup and Yetra, Santhivardhana Reddy and Biju, Akkattu T.} } @article {42501, title = {Recognition of Hg 2+ and Cr 3+ in physiological conditions by a rhodamine derivative and its application as a reagent for cell-imaging studies}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {DEC}, pages = {336{\textendash}345}, abstract = {

A new rhodamine-based receptor, derivatized with an additional fluorophore (quinoline), was synthesized for selective recognition of Hg2+ and Cr3+ in an acetonitrile/HEPES buffer medium of pH 7.3. This reagent could be used as a dual probe and allowed detection of these two ions by monitoring changes in absorption and the fluorescence spectral pattern. In both instances, the extent of the changes was significant enough to allow visual detection. More importantly, the receptor molecule could be used as an imaging reagent for detection of Hg2+ and Cr3+ uptake in live human cancer cells (MCF7) using laser confocal microscopic studies. Unlike Hg(ClO4)2 or Hg(NO3)2 salts, HgCl2 or HgI2 failed to induce any visually detectable change in color or fluorescence upon interaction with L1 under identical experimental conditions. Presumably, the higher covalent nature of HgII in HgCl2 or HgI2 accounts for its lower acidity and its inability to open up the spirolactam ring of the reagent L1. The issue has been addressed on the basis of the single-crystal X-ray structures of L1{\textperiodcentered}HgX2 (X{\textendash} = Cl{\textendash} or I{\textendash}) and results from other spectral studies.

}, doi = {10.1021/ic2017243}, author = {Saha, Sukdeb and Mahato, Prasenjit and Reddy, Upendar G. and Suresh, E. and Chakrabarty, Arindam and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42500, title = {Recognition of Hg2+ion through restricted imine isomerization: crystallographic evidence and imaging in live cells}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {JUN}, pages = {2980{\textendash}2983}, abstract = {

A newly synthesized imine-based receptor (L) showed remarkable specificity toward the Hg2+ ion in aqueous media over other metal ions. Coordination of L to Hg2+ induces a turn-on fluorescence response. This was explained based on the restricted imine isomerization along with PET on coordination to Hg2+. X-ray structural evidence tends to favor a C{\textendash}C bond rotation rather than C=N isomerization for adopting a favorable conformation in L for coordination to Hg2+. This reagent could be used for imaging the accumulation of Hg2+ ions in HeLa cells.

}, doi = {10.1021/ol3009733}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Suresh, E. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000309568700049, title = {Reply to comment on {\textquoteleft}{\textquoteleft}Reductive dechlorination of gamma-hexachlorocyclohexane using Fe-Pd bimetallic nanoparticles{\textquoteright}{\textquoteright}, by C. Noubactep}, journal = {Journal of Hazardous Materials}, volume = {235}, year = {2012}, month = {OCT}, pages = {392-393}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2011.04.015}, author = {Nagpal, Varima and Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article { ISI:000297559200027, title = {Reversible phase transformation in proton conducting strandberg-type POM based metal organic material}, journal = {Chemical Communications}, volume = {48}, number = {2}, year = {2012}, month = {NOV}, pages = {266-268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Cu(II)-phenanthroline connected Strandberg-type polyoxometalate based proton conducting MOF, Cu3Mo5P2, that contains one dimensional parallel water channels has been reported. Cu3Mo5P2 shows proton conduction at room temperature as well as elevated temperature.

}, issn = {1359-7345}, doi = {10.1039/c1cc15162b}, author = {Dey, Chandan and Kundu, Tanay and Banerjee, Rahul} } @article {42712, title = {Ruthenium pincer-catalyzed cross-dehydrogenative coupling of primary alcohols with secondary alcohols under neutral conditions}, journal = {Advanced Synthesis \& Catalysis}, volume = {354}, year = {2012}, month = {SEP}, pages = {2403{\textendash}2406}, abstract = {

Cross-dehydrogenative coupling of primary alcohols with secondary alcohols to obtain mixed esters with the liberation of molecular hydrogen is achieved in high yield and good selectivity under neutral conditions, using a bipyridyl-based PNN ruthenium(II) pincer catalyst.

}, doi = {10.1002/adsc.201200438}, author = {Srimani, Dipankar and Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000310744400011, title = {Selective oxidation of nonrefractory and refractory sulfides by cyclopentadienyl molybdenum acetylide complexes as efficient catalysts}, journal = {Catalysis Letters}, volume = {142}, number = {11}, year = {2012}, month = {NOV}, pages = {1352-1360}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

{The synthesis and catalytic properties of molybdenum acetylide complexes CpMo(CO)(3)(-C CR)

}, keywords = {Homogeneous catalysis, Molybdenum acetylide, Oxo-peroxo species, Refractory sulfide oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-012-0898-x}, author = {Chandgude, Macchindra G. and Biradar, Ankush V. and Kotbagi, Trupti V. and Puranik, Vedavati G. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000311864500004, title = {Selectivity tuning options in hydrogenation of m-chloronitrobenzene to m-chloroaniline over mono- and bimetallic supported Pt catalysts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {48}, year = {2012}, month = {DEC}, pages = {15564-15572}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Supported monometallic (Pt, Ni,) and bimetallic (Ni-Pt) catalysts were prepared for the selective liquid phase hydrogenation of m-chlronitrobenzene to m-chloroaniline (m-CAN). It was found that the use of sodium carbonate as an additive substantially reduced the extent of dehydrohalogenation in the case of monometallic, 1\% Pt/C catalyst, to give the highest selectivity of 96\% to m-CAN. Ni-Pt bimetallic catalyst although showed almost complete selectivity (\>99\%) to m-chloroaniline; its activity was several fold lower than that of 1\% Pt/C Na2CO3 system. However, compared with Ni monometallic catalyst, bimetallic Ni-Pt showed higher activity and selectivity due to the presence of electron rich surface metallic Pt stabilized by Ni having lower ionization potential compared with Pt.

}, issn = {0888-5885}, doi = {10.1021/ie301363x}, author = {Mane, Rasika B. and Potdar, Aparna S. and Nadgeri, Jayprakash M. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000303774000020, title = {Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction}, journal = {Chemical Communications}, volume = {48}, number = {44}, year = {2012}, month = {APR}, pages = {5464-5466}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two self-assembled isostructural functionalized metal-organic nanotubes have been synthesized using 5-triazole isophthalic acid (5-TIA) with In(III) and Cd(II). In-and Cd-5TIA possess one-dimensional (1D) nanotubular architecture and show proton conductivity along regular 1D channels, measured as 5.35 x 10(-5) and 3.61 x 10(-3) S cm(-1) respectively.

}, issn = {1359-7345}, doi = {10.1039/c2cc31527k}, author = {Panda, Tamas and Kundu, Tanay and Banerjee, Rahul} } @proceedings {43270, title = {Self{\textendash}assembled histidine acid phosphate nanocapsules as templates for multifunctional hollow platinum nanospheres in ionic liquid [BMIM][BF 4 ] for drug delivery}, year = {2012}, month = {JAN}, abstract = {

During the past few decades, the design and fabrication of nano drug delivery vehicle has received considerable attention for incorporating multi-functionality, emphasizing transportation of anticancer drugs to tumour sites. Protein-based nanoparticles hold significant promise in the development of anticancer drug delivery systems since they have remarkable superiority in biocompatibility, biodegradability and natural metabolism in physiologic systems. Ionic liquids (ILs) are a class of solvents that are composed solely of ions (ILs {\textendash} commonly referred as room temperature molten salts or room temperature ionic liquids). They have recently emerged as green solvents or green reaction media, because of their reported unique physico-chemical properties. We report for the first time the controlled self-assembly of Histidine Acid phosphatase (HAP) enzyme in the IL 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF 4 ], leading to the formation of HAP nanocapsules as template for synthesis of platinum nanospheres. These HAP nano-containers were loaded with an anticancer drug curcumin. We further demonstrated in vitro drug release and synergistic anticancer effect of these systems on three different cell lines viz. hepatocellular carcinoma (HepG2), breast cancer (MCF-7) and human acute monocytes (THP-1). The present work can extend our theoretical understanding on nano-bio interfacial molecular self assembly and will facilitate the motivated insights of inorganic/organic hybrid nano-materials/ nano-particles/ nano-objects and ionic liquids based multi functional drug delivery vehicles with synergistic combination chemotherapy for potential application in tumor targeting. INTRODUCTION During the past few decades, the design and fabrication of drug delivery vehicle has received considerable attention for incorporating multi-functionality emphasizing transportation of anticancer drugs to tumour sites. These nano drug delivery vehicles have many advantages including prolonged circulation time of the drugs (Duncan, 2003, Kiick, 2007) , improved drug targeting and solubility (Duncan, 2003, Kiick, 2007), higher payloads (Duncan, 2003) and controlled release of the therapeutics into the blood stream or the targeted tumour tissues (Uhrich et al. 1999, Duncan, 2003).

}, author = {Soni, Sarvesh Kumar and Sarkar, Sampa and Sarkar, Dhiman and Coloe, Peter J. and Bhargava, Suresh Kumar and Bansal, Vipul} } @article {42510, title = {Sequential energy and electron transfer in polynuclear complex sensitized TiO2 nanoparticles}, journal = {Journal of Physical Chemistry Letters}, volume = {3}, year = {2012}, month = {MAY}, pages = {1543{\textendash}1548}, abstract = {

Polynuclear{\textendash}polypyridyl complexes exhibit a directional energy-transfer property that can improve their photosensitization activity. In the present work, the energy-transfer process is explored in a trinuclear Ru2∧Os1 complex using transient absorption spectroscopy. This study reveals an efficient excitation energy transfer from the terminal (RuII complex) to the core (OsII complex) region in the ultrafast time domain (400 fs{\textendash}40 ps). The excitation energy funnel is useful in improving the functionalized core activity. This is evidenced in an interfacial electron-transfer study of Ru2∧Os1, Ru2∧Ru1, and Os1 complex sensitized TiO2 nanoparticle (TiO2 NP) systems. The intramolecular energy transfer causes sequential excitation of the core part of the Ru2∧Os1 complex, which leads to multiexponential electron injection into TiO2 NP. Besides this, the electronic coupling between the metal ion centers stabilizes the positive charge within the trinuclear complex, which results in a slow charge recombination reaction. This study shows that polynuclear complexes can be very useful for their panchromatic effects, unidirectional energy- and electron-transfer properties.

}, doi = {10.1021/jz3005305}, author = {Verma, Sandeep and Kar, Prasenjit and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000315172400021, title = {Significant enhancement of formic acid oxidation using rhodium nanostructures}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {12}, year = {2012}, month = {DEC}, pages = {8994-8998}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

The electrocatalytic activity of as-synthesized shape selective Rh nanostructures has been demonstrated using cyclic voltammetry, revealing unique shape-dependant performance towards HCOOH oxidation. interestingly, the enhancement factor (R) for different shapes of Rh with respect to that of commercial Rh towards formic acid oxidation ranges up to 20,000\% for cubes as compared to 17,500\% for pyramids and 11,000\% for hexagons respectively. Mechanistic pathway for comparatively better sensitivity of cubes as compared to other shapes has been correlated with the results of X-ray diffraction.

}, keywords = {electrocatalysis, Formic Acid Oxidation, Preferential Growth, Rhodium Nanostructures}, issn = {1533-4880}, doi = {10.1166/jnn.2012.6735}, author = {Balan, Beena K. and Sathe, Bhaskar R.} } @article { ISI:000305965100013, title = {Simple method for incorporating dynamic effects of intronic miRNA mediated regulation}, journal = {Molecular Biosystems}, volume = {8}, number = {8}, year = {2012}, month = {APR}, pages = {2145-2152}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The importance of microRNA (miRNA) in modulating gene expression at the post-transcriptional level is well known. Such regulation has been shown to influence the dynamics of several regulatory networks including the cell cycle. In this study we incorporated regulatory effects of intronic miRNA into an existing mathematical model of the cell cycle through the use of an existing {\textquoteleft}proxy{\textquoteright} protein - the host protein. It was observed that the incorporation of intronic miRNA mediated regulation improved the performance of the model resulting in a closer match to experimental results. To test the universality of this approach we compared the effects of intronic miRNA mediated regulation and host protein mediated regulation. Further, we compared miRNA mediated and protein mediated positive and negative feedback regulations of the target protein. We found that the target protein profiles were predominantly similar. These observations show the applicability of our method for incorporating intronic miRNA mediated dynamic effects in models for regulation of gene expression.

}, issn = {1742-206X}, doi = {10.1039/c2mb25046b}, author = {Gokhale, Sucheta A. and Hariharan, Manoj and Brahmachari, Samir K. and Gadgil, Chetan J.} } @article { ISI:000298726300004, title = {Solid phase morphological diversity of a rare vanadium cubane (V4O16) based metal organic framework}, journal = {Crystal Growth \& Design}, volume = {12}, number = {1}, year = {2012}, month = {JAN}, pages = {12-17}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A Cu(II) connected V4O16-cubane based metal organic framework, Cu-2(phen)(2)(V4O8) (PO4)(4) [Cu2V4O16-2D] was synthesized under hydrothermal conditions. This is the first example of transition metal connected V4O16-cubane based MOF. X-ray single crystal data shows the alternate arrangement V4O16-cubane and Cu(phen)(O)(3) square pyramidal unit in two dimensions. These two-dimensional sheets are stacked on top of each other to form a three-dimensional architecture. Cu2V4O16-2D shows two types of solid state morphologies of the same phase, which was confirmed by scanning electron microscopy. It is noteworthy that this type of morphological difference of the solid phase in an extended metal organic hybrid material is rare and has not been perceived in the polyoxovanadate based MOFs literature. Cu2V4O16-2D was further characterized by powder X-ray diffraction (PXRD), thermal gravimetric analysis (TGA), IR-spectroscopy, scanning electron microscopy (SEM), and elemental analysis. We also studied the static magnetic and gas adsorption properties for Cu2V4O16-2D.

}, issn = {1528-7483}, doi = {10.1021/cg201030u}, author = {Dey, Chandan and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000303366000056, title = {Solid-state thermolysis of anion induced metal-organic frameworks to ZnO microparticles with predefined morphologies: facile synthesis and solar cell studies}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2572-2578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Simple one-step solid state thermolysis of two Zn-based homochiral metal organic frameworks (MOFs) leads to a dramatic difference in morphologies which depends on the anion (-Cl and -Br) and calcination environment (air and N-2). Rod-shaped (aspect ratio similar to 20), hexagonal column shaped (aspect ratio similar to 3), and elliptical aggregation of ZnO morphologies (aspect ratio similar to 3) are obtained and characterized. Although these two MOFs possess similar rod-shaped morphology, they produce dramatic change in resulting ZnO microparticle morphologies (from rod-shaped ZnO microparticles in the case of thermolysis of MOP 1 to hexagonal column shaped ZnO microparticles in the case of MOF 2 thermolysis) when calcined in N-2 at 800 degrees C. However, when we calcined both MOF 1 and 2 in air, we encountered similar elliptical aggregation of ZnO microparticles. These ZnO microparticles show permanent porosity, visible light emission centered at 605 or 510 nm. Moreover, they show 0.15\% and 0.14\% dye sensitized solar cell activity. To the best of our knowledge, this is the first report of dye sensitized solar cell activity of ZnO microparticles obtained from one-step thermolysis of porous homochiral MOFs.

}, issn = {1528-7483}, doi = {10.1021/cg300174f}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000311284900014, title = {Solution mediated phase transformation (RHO to SOD) in porous Co-imidazolate based zeolitic frameworks with high water stability}, journal = {Chemical Communications}, volume = {48}, number = {97}, year = {2012}, month = {OCT}, pages = {11868-11870}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Here we report a highly porous, water stable Co based ZIF [CoNIm (RHO)] and its solution mediated phase transformation to a less porous and water unstable ZIF [CoNIm (SOD)]. CoNIm (RHO) has high Langmuir surface area [2087 m(2) g(-1)] as well as high water adsorption [200 cm(3) (STP) g(-1)] capacity.

}, issn = {1359-7345}, doi = {10.1039/c2cc36651g}, author = {Biswal, Bishnu P. and Panda, Tamas and Banerjee, Rahul} } @article {42575, title = {Solution-processed inorganic bulk nano-heterojunctions and their application to solar cells}, journal = {Nature Photonics}, volume = {6}, year = {2012}, month = {JUL}, pages = {529{\textendash}534}, abstract = {

In the last decade, solution-processed quantum dot/nanocrystal solar cells have emerged as a very promising technology for third-generation thin-film photovoltaics because of their low cost and high energy-harnessing potential. Quantum dot solar cell architectures developed to date have relied on the use of bulk-like thin films of colloidal quantum dots. Here, we introduce the bulk nano-heterojunction concept for inorganic solution-processed semiconductors. This platform can be readily implemented by mixing different semiconductor nanocrystals in solution and allows for the development of optoelectronic nanocomposite materials with tailored optoelectronic properties. We present bulk nano-heterojunction solar cells based on n-type Bi2S3 nanocrystals and p-type PbS quantum dots, which demonstrate a more than a threefold improvement in device performance compared to their bilayer analogue, as a result of suppressed recombination.

}, doi = {10.1038/nphoton.2012.139}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Pelayo Garcia de Arquer, F. and Osmond, Johann and Konstantatos, Gerasimos} } @article { ISI:000300045200031, title = {Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C-H center dot center dot center dot O interactions}, journal = {CrystEngComm}, volume = {14}, number = {5}, year = {2012}, month = {DEC}, pages = {1716-1722}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The title compound produced three different types of solvent inclusion crystals having a conserved dimeric association via trifurcated C-H center dot center dot center dot O interactions between the diastereomers. These {\textquoteleft}dimeric{\textquoteright} units are organized differently to produce three crystal types containing guest molecules. In type I and II, unit translated dimers created voids for guest inclusion, whereas in type III the guest sites were produced by helical association of dimers. Inclusion of dichloromethane gave two different types of crystals; however, we were unable to obtain unsolvated crystals of the title compound.

}, issn = {1466-8033}, doi = {10.1039/c2ce06287a}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI: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:000305039700151, title = {Sono-chemical synthesis of ZnO nano-particles and their application in hydrogen sulphide gas sensing}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {2791-2796}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Herein we describe synthesis of ZnO nanoparticles by using alkaline solution of ZnX2 (X = NO3, Cl) under ultrasound energy of 20 KHz. The reaction can be completed in about 1-2 hours. As prepared powders were analyzed by XRD measurement to find that the product is hexagonal phase pure ZnO. UV-Visible measurement of aq. solution showed absorption band at similar to 365 nm and photoluminescence (PL) indicated multiple bands in visible region due to deep traps owing to high temperature sintering. The hydrophilicity can be imparted by use of a suitable polyelectrolyte. Freshly prepared samples showed good dispersion in aqueous and alcoholic medium. The thick films derived from the ZnO nano-particles showed excellent sensing for hydrogen sulphide gas.

}, keywords = {Gas-Sensing, Sono-Chemical, synthesis, ZnO Nano-Particles}, issn = {1533-4880}, doi = {10.1166/jnn.2012.5732}, author = {Khanna, P. K. and Kate, Kunal and Dhanabalan, K. and Banerjee, Shaibal and Reji, Nedunnkandathil and Shinde, S. D. and Jain, G. H.} } @article { ISI: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:000309645000013, title = {Studies on the resistive response of nickel and cerium doped SnO2 thick films to acetone vapor}, journal = {Ceramics International}, volume = {38}, number = {8}, year = {2012}, month = {DEC}, pages = {6171-6179}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Undoped and Ni, Ce-doped nanocrystalline tin oxide were synthesized by co-precipitation route. Doped as well as undoped SnO2 compositions revealed single phase structure without any impurity. The lattice constant of SnO2 increases and the grain size decreases with doping of Ni and Ce. The responses of the sensing elements are evaluated by measuring the resistance change upon exposure to various test gases such as liquid petroleum gas (LPG), acetone, ethanol and ammonia. In comparison to LPG, ethanol, and ammonia the response towards acetone vapor increases markedly on simultaneous doping of Ni and Ce. For acetone vapors with 500 ppm at 300 degrees C, the undoped SnO2 shows 31\% response, while with individual Ni or Ce doping it increases to 38 and 60\%, respectively, however with simultaneous doping of Ni and Ce there is a significant enhancement up to 92\%. The results of gas sensing measurements reveal that the thick films deposited on alumina substrates using screen printing technique give selectively a high response of (87\%) with fast recovery (similar to 1 min) towards 100 ppm acetone at 300 degrees C. (c) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {(Ni plus Ce)-doping, Acetone vapor, Screen-printing, SnO2}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.04.068}, author = {Bagal, L. K. and Patil, J. Y. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000304401600015, title = {Surface species of supported ruthenium catalysts in selective hydrogenation of levulinic esters for bio-refinery application}, journal = {Catalysis Letters}, volume = {142}, number = {6}, year = {2012}, month = {JUN}, pages = {779-787}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Several supported noble metal catalysts were screened for the hydrogenation of methyl levulinate to gamma-valerolactone (GVL). Among these catalysts 5 \% Ru/C showed the highest conversion of 95 \% of methyl levulinate with 91 \% selectivity to GVL. A detailed characterization was carried out using TPR, XRD, XPS and BET techniques. XPS studies revealed that higher extent of Ru-0 species in case of carbon supported Ru was responsible for its higher hydrogenation activity as compared to Ru on other supports. Effect of process parameters such as temperature, H-2 pressure, catalyst and substrate concentration and metal loading on methyl LA conversion and selectivity to GVL also has been studied. 5 \% Ru/C catalyst was found to be stable up to five reuses.

}, keywords = {5 \% Ru/C, Biofeedstock, gamma-Valerolactone, H-2-TPR, Hydrogenation, Methyl levulinate, XPS}, issn = {1011-372X}, doi = {10.1007/s10562-012-0822-4}, author = {Hengne, Amol M. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000309024900024, title = {Swift heavy ion induced formation of Al/polymer composite layer for low thermal emissivity in the IR range}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {287}, year = {2012}, month = {SEP}, pages = {135-140}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Composites of polymers with aluminium were formed by swift high energy ions of 150 MeV, which are used as low thermal emissivity materials for infrared wavelengths between 8-14 mu m. Emissivity and dielectric constants were studied for these structures. A semi-empirical model has been established to obtain the relation between emissivity and dielectric constant. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {composites, dielectric constant, Swift heavy ion, Thermal emissivity}, issn = {0168-583X}, doi = {10.1016/j.nimb.2012.06.005}, author = {Babrekar, Harshada A. and Jog, Jyoti Prakash and Mathe, Vikas L. and Avasthi, D. K. and Ojha, S. and Bhoraskar, S. V.} } @article { ISI:000301098700068, title = {Syntheses, crystal structures, and magnetic properties of metal-organic hybrid materials of Co(II) using flexible and rigid nitrogen-based ditopic ligands as spacers}, journal = {Crystal Growth \& Design}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {1571-1578}, abstract = {

{A carboxylate-based flexible ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)), readily reacts with Co(II) salts in the presence of different pyridine-based coligands such as 4-bis(4-pyridinylmethyl)piperazine (bpmp) or 1,2-di(4-pyridyl)ethylene (dpe) under hydrothermal conditions to afford two different three-dimensional (3D) coordination polymers, {[Co-4(OH)(2)(p-cbia)(2)(bpmp)-(H2O)(3)]center dot 2H(2)O}(n) (1) and {[Co-4(OH)(2)(p-cbia)(2)(dpe)(H2O)(4)]center dot 2H(2)O\

}, author = {Ahmad, Musheer and Sharma, Mamsh K. and Das, Raja and Poddar, Pankai and Bharadwaj, Parimal K.} } @article { ISI:000308279900043, title = {Synthesis, characterization, and magnetic studies of coordination polymers with Co(II) and Mn(II) ions}, journal = {Crystal Growth \& Design}, volume = {12}, number = {9}, year = {2012}, month = {SEP}, pages = {4624-4632}, abstract = {

{An ether bridged tricarboxylic acid ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)) has been used to construct three coordination polymers with Co(II) salts in presence of different nitrogen donor ligands such as 1,4-bis(4-pyridinylmethyl)piperazine (bpmp), dipyridine-4-yl-diazene (dpd), and 4,4{\textquoteright}-bipyridine (bpy). The products formed under hydrothermal conditions are formulated as {[Co-3(p-cbia)(2)(bpmp)(2)(H2O)(6)]center dot 10H(2)O}(n) (1), {[Co-2(p-cbiaH)(2)(dpd)(H2O)(2)]\

}, author = {Ahmad, Musheer and Das, Raja and Lama, Prem and Poddar, Pankaj and Bharadwaj, Parimal K.} } @article {42710, title = {Synthesis of polyamides from diols and diamines with liberation of H2}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {50}, year = {2012}, month = {MAY}, pages = {1755{\textendash}1765}, abstract = {

The amidation reaction based on catalytic coupling of alcohols with amines previously reported by us, using the pincer complexes 1 and 2 as catalysts, was applied to the generation of polyamides from nonactivated diols and diamines. A range of polymers was prepared, with Mn up to 26.9 kDa. Unlike the traditional syntheses of polyamides based on carboxylic acid derivatives, which require the use of toxic reagents and generate stoichiometric amounts of waste, this process generates only molecular hydrogen as byproduct. Both aromatic and aliphatic diols and diamines were used. Gel permeation chromatography measurements of the dimethylformamide-soluble polymers and thermal studies of the polyamides were performed. Matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) spectra are also reported. Thermogravimetric analyses studies indicate that the aromatic polyamides (with the exception of the pyridine-based polyamide) are more thermally stable than the aliphatic ones. This general, environmentally benign method for the synthesis of polyamides is homogeneously catalyzed under neutral conditions by dearomatized ruthenium-pincer complexes 1 and 2 and proceeds in 1,4-dioxane under an inert atmosphere. Conditions for polyamidation in the absence of solvent are also reported, using the pincer complex 2 as catalyst. {\textcopyright} 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012

}, doi = {10.1002/pola.25943}, author = {Gnanaprakasam, Boopathy and Balaraman, Ekambaram and Gunanathan, Chidambaram and Milstein, David} } @article { ISI:000315212500001, title = {Synthesis of substituted 2,6-dicyanoanilines and related compounds. a review}, journal = {Organic Preparations and Procedures International}, volume = {44}, number = {6}, year = {2012}, month = {JAN}, pages = {467-521}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, issn = {0030-4948}, doi = {10.1080/00304948.2012.715055}, author = {Borate, Hanumant B. and Kudale, Ananada S. and Agalave, Sandip G.} } @article { ISI:000308976200010, title = {Thermal expansion properties of stannosilicate molecular sieve with MFI type structure}, journal = {Chemical Physics Letters}, volume = {548}, year = {2012}, month = {OCT}, pages = {51-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An in situ high temperature X-ray diffraction study was carried out for investigating the thermal expansion properties of Si-MFI and SnSi-MFI molecular sieves. The thermal stability up to 973 K and a negative lattice thermal expansion in anisotropic manner was exhibited by both the phases in the temperature range of 373-973 K. The trend observed in contraction along the axes was as: a \> c \> b. The substitution of Sn4+ in MFI framework resulted in an expansion of unit cell volume and in an increase in the lattice thermal expansion coefficient in the temperature range 423-973 K. (C) 2012 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.08.023}, author = {Niphadkar, P. S. and Bhange, Deu S. and Selvaraj, K. and Joshi, P. N.} } @article { ISI:000313024300028, title = {Thermally decomposed Cu-Fe-hydrotalcite. a novel highly active catalyst for o-arylation of naphthol and phenols by aryl halides}, journal = {Catalysis Communications}, volume = {29}, year = {2012}, month = {DEC}, pages = {132-136}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel, efficient and environmentally benign method has been reported for the synthesis of diaryl ethers by the o-arylation of napthol or phenols with aryl halides in dimethylformamide (as a solvent) under reflux, using a novel heterogeneous catalyst (having redox properties), obtained from thermal decomposition of Cu-Fe at 600 degrees C in the absence of externally added base. The catalyst comprises Cu(II) and Fe(III) species (oxides and hydroxides), which are uniformly distributed during the catalyst formation. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Aryl halides, C-O cross coupling reaction, Cu-Fe-hydrotalcite, Naphthol, o-Arylation, Phenols}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.09.024}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar} } @article { ISI:000303304900028, title = {TiO2-Au plasmonic nanocomposite for enhanced dye-sensitized solar cell (DSSC) performance}, journal = {Solar Energy}, volume = {86}, number = {5}, year = {2012}, month = {MAY}, pages = {1428-1434}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Anatase TiO2 nanoparticles dressed with gold nanoparticles were synthesized by hydrothermal process by using mixed precursor and controlled conditions. Diffused Reflectance Spectra (DRS) reveal that in addition to the expected TiO2 interband absorption below 360 nm gold surface plasmon feature occurs near 564 nm. It is shown that the dye sensitized solar cells made using TiO2-Au plasmonic nanocomposite yield superior performance with conversion efficiency (CE) of similar to 6\% (no light harvesting), current density (J(SC)) of similar to 13.2 mA/cm(2), open circuit voltage (V-oc) of similar to 0.74 V and fill factor (FF) 0.61; considerably better than that with only TiO2 nanoparticles (CE similar to 5\%, J(SC) similar to 12.6 mA/cm(2), V-oc similar to 0.70 V, FF similar to 0.56). (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Anatase TiO2, Au, Dye-sensitized solar cells, Hybrid composite, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2012.02.002}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Vijayamohanan, K. and Bogle, Kashinath A. and Valanoor, N. and Ogale, Satishchandra B.} } @article { ISI:000299158700036, title = {Tuberculosis drug streptomycin as a potential cancer therapeutic: inhibition of miR-21 function by directly targeting its precursor}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {4}, year = {2012}, month = {DEC}, pages = {1019-1023}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Apoptosis, drug discovery, Gene expression, inhibitors, RNA}, issn = {1433-7851}, doi = {10.1002/anie.201106455}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Suryawanshi, Hemant and Agarwala, Prachi and Pore, Subrata Kumar and Banerjee, Rajkumar and Maiti, Souvik} } @article { ISI:000308778000025, title = {Tuning the functionality of a carbon nanofiber-Pt-RuO2 system from charge storage to electrocatalysis}, journal = {Inorganic Chemistry}, volume = {51}, number = {18}, year = {2012}, month = {SEP}, pages = {9766-9774}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Chemical-functionalization-induced switching in the property of a hybrid system composed of a hollow carbon nanofiber (CNF) and Pt and RuO2 nanoparticles from charge storage to electrocatalysis is presented. The results of this study show how important it is to have a clear understanding of the nature of surface functionalities in the processes involving dispersion of more than one component on various substrates including carbon nanomorphologies. When pristine CNF is used to decorate Pt and RuO2 nanoparticles, random dispersion occurs on the CNF surface (C-PtRuO2). This results in mainly phase-separated nanoparticles rich in RuO2 characteristics. In contrast to this, upon moving from the pristine CNF to those activated by a simple H2O2 treatment to create oxygen-containing surface functional groups, a material rich in Pt features on the surface is obtained (F-PtRuO2). This is achieved because of the preferential adsorption of RuO2 by the functionalized surface of CNF. A better affinity of the oxygen-containing functional groups on CNF toward RuO2 mobilizes relatively faster adsorption of this moiety, leading to a well-controlled segregation of Pt nanoparticles toward the surface. Further reorganization of Pt nanoparticles leads to the formation of a Pt nanosheet structure on the surface. The electrochemical properties of these materials are initially evaluated using cyclic voltammetric analysis. The cyclic voltammetric results indicate that C-PtRuO2 shows a charge storage property, a typical characteristic of hydrous RuO2, whereas F-PtRuO2 shows an oxygen reduction property, which is the characteristic feature of Pt. This clear switch in the behavior from charge storage to electrocatalysis is further confirmed by galvanostatic charge discharge and rotating-disk-electrode studies.

}, issn = {0020-1669}, doi = {10.1021/ic301147s}, author = {Balan, Beena K. and Kurungot, Sreekumar} } @article { ISI:000295772200014, title = {Ultrasound assisted one pot synthesis of imidazole derivatives using diethyl bromophosphate as an oxidant}, journal = {Ultrasonics Sonochemistry}, volume = {19}, number = {1}, year = {2012}, month = {JAN}, pages = {94-96}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A one pot, three-component condensation of benzoin/benzyl, an aldehyde, and ammonium acetate using diethyl bromophosphate as a mild oxidant is achieved to form trisubstituted imidazole compounds. Under ultrasound irradiation, a smooth condensation occurs to get the 2, 4, 5-triaryl-1H-imidazole compounds in good to excellent yields. The study explores the scope and limitation of diethyl bromophosphate as an oxidant and suggests advantages, viz., simplicity of operation, reduction in time, and an increase in product yields. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Diethyl bromophosphate (DEP), Imidazole, One pot synthesis, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2011.05.009}, author = {Nagargoje, Deepak and Mandhane, Priyanka and Shingote, Savita and Badadhe, Pravin and Gill, Charansingh H.} } @article { ISI:000300466900006, title = {Understanding the growth of micro and nano-crystalline AlN by thermal plasma process}, journal = {Journal of Crystal Growth}, volume = {339}, number = {1}, year = {2012}, month = {JAN}, pages = {36-45}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the studies related to the growth of crystalline AlN in a DC thermal plasma reactor, operated by a transferred arc plasma torch. The reactor is capable of producing the nanoparticles of Al and AlN depending on the composition of the reacting gas. Al and AlN micro crystals are formed at the anode placed on the graphite and nano crystalline Al and AlN gets deposited on the inner surface of the plasma reactor. X-ray diffraction, Raman spectroscopy analysis, single crystal X-ray diffraction and TGA-DTA techniques are used to infer the purity of post process crystals as a hexagonal AlN. The average particle size using SEM was found to be around 30 mu m. The morphology of nanoparticles of Al and AlN, nucleated by gas phase condensation in a homogeneous medium were studied by transmission electron microscopy analysis. The particle ranged in size between 15 and 80 nm in diameter. The possible growth mechanism of crystalline AlN at the anode has been explained on the basis of non-equilibrium processes in the core of the plasma and steep temperature gradient near its periphery. The gas phase species of AlN and various constituent were computed using Murphy code based on minimization of free energy. The process provides 50\% yield of microcrystalline AlN and remaining of Al at anode and that of nanocrystalline h-AlN and c-Al collected from the walls of the chamber is about 33\% and 67\%, respectively. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Crystal morphology, Growth from high temperature solutions, Nitride, Semiconducting aluminum compound}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2011.11.011}, author = {Kanhe, Nilesh S. and Nawale, Ashok B. and Gawade, Rupesh L. and Puranik, Vedavati G. and Bhoraskar, S. V. and Das, Asoka K. and Mathe, Vikas L.} } @article {42709, title = {Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives}, number = {US 13/471,037}, year = {2012}, month = {MAR}, type = {Grant}, chapter = {US9290441 B2}, abstract = {

A process for preparing amides by reacting a primary amine and a primary alcohol in the presence of a Ruthenium complex to generate the amide and molecular hydrogen. Primary amines are directly acylated by equimolar amounts of alcohols to produce amides and molecular hydrogen (the only byproduct) in high yields and high turnover numbers. Also disclosed are processes for hydrogenation of amides to alcohols and amines; hydrogenation of organic carbonates to alcohols; hydrogenation of carbamates or urea derivatives to alcohols and amines; amidation of esters; acylation of alcohols using esters; coupling of alcohols with water and a base to form carboxylic acids; dehydrogenation of beta-amino alcohols to form pyrazines and cyclic dipeptides; and dehydrogenation of secondary alcohols to ketones. These reactions are catalyzed by a Ruthenium complex which is based on a dearomatized PNN-type ligand of formula A1 or precursors thereof of formulae A2 or A3.

}, author = {Milstein, David and Gunanathan, Chidambaram and Ben-David, Yehoshoa and Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Zhang, Jing} } @article {Das, title = {Variable water adsorption in amino acid derivative based homochiral metal organic frameworks}, journal = {Crystal Growth \& Design}, volume = {12}, number = {9}, year = {2012}, month = {SEP}, pages = {4633-4640}, abstract = {

{Six new Cd-containing homochiral metal organic framework materials [

}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000310721400015, title = {Vertical arrays of SiNWs-ZnO nanostructures as high performance electron field emitters}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {43}, year = {2012}, month = {NOV}, pages = {22922-22928}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Multicomponent hybrid materials of nanostructured building blocks are essential for the development of complex devices and advanced applications due to their role as either functional or interconnecting elements. This study introduces a simple and cost effective strategy for the synthesis of vertical arrays of silicon nanowires and ZnO nanostructures (nanorod and multipod structures). Formation of vertical nanostructured arrays is confirmed by SEM and HRTEM imaging as well as XRD and Raman measurements. We have investigated field emission properties of the as-synthesized vertical nanostructured arrays. Our results show that these SiNWs-ZnO nanostructures are highly efficient and stable field emitters.

}, issn = {0959-9428}, doi = {10.1039/c2jm34224c}, author = {Devarapalli, Rami Reddy and Shinde, Deodatta R. and Barka-Bouaifel, Fatiha and Yenchalwar, Sandeep G. and Boukherroub, Rabah and More, Mahendra A. and Shalke, Manjusha V.} } @article { ISI:000309100600009, title = {Vibrational multi-reference coupled cluster theory in bosonic representation}, journal = {Journal of Chemical Physics}, volume = {137}, number = {11}, year = {2012}, month = {SEP}, pages = {114108}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The vibrational multi-reference coupled cluster method is developed to calculate the vibrational excitation energies of polyatomic molecules. The method is implemented on ozone and formaldehyde molecules and the results are compared with full vibrational configuration interaction (FVCI) method. A good agreement is found between the vibrational multi-reference coupled cluster method and converged FVCI method for lower lying vibrational states. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4753422]

}, issn = {0021-9606}, doi = {10.1063/1.4753422}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga} } @article { ISI:000315745600001, title = {Zoom-in - a targeted database search for identification of glycation modifications analyzed by untargeted tandem mass spectrometry}, journal = {European Journal of Mass Spectrometry}, volume = {18}, number = {6}, year = {2012}, month = {JAN}, pages = {475-481}, publisher = {IM PUBLICATIONS}, type = {Article}, address = {6 CHARLTON MILL, CHARLTON, CHICHESTER,, W SUSSEX PO18 0HY, ENGLAND}, abstract = {

Post-translational modifications (PTMs) are very important to biological function, however their identification and characterization is technically challenging. In this study, we have identified glycation modifications by nano LC-MSE, a data independent acquisition work flow, followed by database search using the Protein Lynx Global Server (PLGS). PLGS search with a complete human protein database hardly identified glycation modifications in a glycated human serum albumin (HSA), which was detected to be glycated by western blotting with advanced glycation end products (AGE) antibody and fluorescence spectroscopy. To overcome this difficulty, {\textquoteleft}{\textquoteleft}Zoom-In{\textquoteright}{\textquoteright} approach, a targeted database search was used to identify glycation modifications in a glycated HSA, which were further manually validated. This approach was useful for identification of glycation modifications from untargeted tandem mass spectrometry workflow such as MSE, but may require the development of a new algorithm or an upgrade of the existing software.

}, keywords = {advanced glycation end products (AGEs), data independent acquisition, Diabetes, post-translational modifications}, issn = {1469-0667}, doi = {10.1255/ejms.1203}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Kesavan, Suresh K. and Bhosale, Santosh D. and Bansode, Sneha B. and Kulkarni, Mahesh J.} } @article { ISI:000321203900073, title = {1-Dimensional confinement of porous polyethylenedioxythiophene using carbon nanofibers as a solid template: an efficient charge storage material with improved capacitance retention and cycle stability}, journal = {RSC Advances}, volume = {3}, number = {29}, year = {2013}, month = {APR}, pages = {11877-11887}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Here, we report a highly conducting porous 1-dimensionally (1-D) confined nano hybrid of polyethylenedioxythiophene (PEDOT) using a cup-stacked hollow carbon nanofiber (CNF) as a solid template for potential charge storage applications. The unique features of the nano confinement involve significantly high porosity and conductivity with the establishment of the 1-D architecture. Since the tubular morphology of the CNF with its open tips provides facile routes for the electrolyte, the overall utilization of the active surface and conductivity increases the charge storage properties of PEDOT in the hybrid. The approach helped in achieving a high specific capacitance of 177 F g(-1) for 40\% PEDOT-CNF at a scan rate of 50 mV s(-1) and in retaining 130 F g(-1) even at 3000 mV s(-1) compared to 76 and 30 F g(-1) respectively given by pure PEDOT in 0.5 M H2SO4. The hybrid CP-40 shows a very high power density of 51 kW kg(-1) with an energy density of 4.7 Wh kg(-1). High capacitance retention is supported by the low charge transfer resistance and very low time constant (less than 0.5 s) values for the hybrid using impedance analysis. Phase angle calculations from a Bode plot also show an ideal capacitive nature with -90 degrees phase difference at 0.1 Hz for the hybrids. Apart from all these, the solid CNF backbone helps the hybrid material to display excellent cycle stability with \>98\% retention in capacitance over 4500 charge-discharge cycles compared to pristine PEDOT at a current density of 2 A g(-1).

}, issn = {2046-2069}, doi = {10.1039/c3ra40853a}, author = {Anothumakkool, Bihag and Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article { ISI:000315775800008, title = {Acetone vapour sensing characteristics of undoped and Zn, Ce doped SnO2 thick film gas sensor}, journal = {Materials Research Innovations}, volume = {17}, number = {2}, year = {2013}, month = {APR}, pages = {98-105}, publisher = {MANEY PUBLISHING}, address = {STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND}, abstract = {

The nanocrystalline materials of zinc and ceria doped tin oxide [(Zn+Ce)-SnO2] powders were synthesised by coprecipitation method and investigated for their sensing properties towards liquid petroleum gas (LPG), ethanol, ammonia and acetone vapour. The crystal structure and phase of the as synthesised and sintered powders were characterised by X-ray diffractometer and the microstructure by scanning electron microscopy. All the doped and undoped SnO2 compositions revealed single phase solid solution formation. Transmission electron microscope results indicated that well crystallised (Zn+Ce) doped SnO2 particles of size similar to 7 nm were obtained at the annealing temperature of 650 degrees C. The reduction in grain size of the metal oxide is a key factor to enhance the gas sensing properties. The doping of zinc, ceria in SnO2 has reduced the grain size and improved the gas response. The results of gas sensing measurements showed that the thick films deposited on alumina substrates using screen printing technique exhibited high response to acetone at an operating temperature of 300 degrees C. Further, the selectivity of the sensor towards acetone with respect to other reducing gases (LPG, ethanol and ammonia) was studied.

}, keywords = {Gas, Screen printing, Sensor, SnO2}, issn = {1432-8917}, doi = {10.1179/1433075X12Y.0000000035}, author = {Bagal, L. K. and Patil, J. Y. and Bagal, K. N. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000322358100002, title = {Antimycobacterial agent, (E)-phytol and lauric amide from the plant Lagascea mollis}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {JUL}, pages = {901-903}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Chemical examination of aerial parts of the plant, Lagascea mollis has resulted in the isolation of two compounds, an acyclic diterpene alcohol which has been identified as (E)-phytol 1 and lauric amide 3. Their structures have been elucidated by spectral data and chemical transformations. This is the first report of isolation of both these compounds from this plant It is noteworthy that compound 1 has been found to be a potent antimycobacterial agent and thus, L. mollis could be exploited as an alternative source.

}, keywords = {amide, chemical transformation, diterpene, Lagascea mollis, structure elucidation}, issn = {0376-4699}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C.} } @article { ISI:000319942700023, title = {Arsenomics of exiguobacterium sp PS (NCIM 5463)}, journal = {RSC Advances}, volume = {3}, number = {25}, year = {2013}, month = {APR}, pages = {9705-9713}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the present study, arsenate [As(V)] tolerant organisms were isolated from a metal contaminated site, and identified by 16S rDNA sequencing as Exiguobacterium sp. Arsenomics (omics of arsenic response) in Exiguobacterium sp. PS via two-dimensional gel electrophoresis (2-DGE) coupled with identification of proteins using MALDI-TOF MS, MALDI-TOF MS/MS and LC/MSE are studied vide this paper. Out of 2460 Coomassie stained proteins, 270 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 45 spots (proteins) were subjected to MALDI-TOF MS/MS, MALDI-TOF/TOF and LC/MSE. Out of these, 33 were identified and categorized into several functional categories (including both known and novel/putative stress responsive proteins) viz., carbohydrate and energy metabolism, stress response, motility, amino acid, and purine and protein synthesis. The identifications of unique proteins, phosphate ABC transporter ATPase subunit and pyridine nucleotide disulfide oxidoreductase, are the significant findings of the present study which may be used as markers of As(V) stress in Exiguobacterium sp. PS. The absence of As(V) reductase activity and non-amplification of the arsC gene of the ars operon suggests that the classical mechanism of As(V) resistance may not be operating in Exiguobacterium sp. PS. Lastly, considering the fact that proteomic studies under As(V) stress were performed only in Gram negative organisms, this study is the first comprehensive endeavour to explore the mechanism of As(V) response in Gram positive organisms, Exiguobacterium sp. PS at the proteomic level.

}, issn = {2046-2069}, doi = {10.1039/c3ra40897c}, author = {Sacheti, Poonam and Bhonsle, Hemangi S. and Patil, Rajendra and Kulkarni, Mahesh J. and Srikanth, Rapole and Gade, Wasudeo N.} } @article { ISI:000326121700015, title = {Asymmetric N-heterocyclic carbene (NHC)-catalyzed annulation of modified enals with enolizable aldehydes}, journal = {Organic Letters}, volume = {15}, number = {20}, year = {2013}, month = {OCT}, pages = {5202-5205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

N-Heterocyclic carbene (NHC)-catalyzed highly enantioselective lactonization of modified enals with enolizable aldehydes, proceeding via the alpha,beta-unsaturated acylazolium intermediates, is reported. The reaction results in the asymmetric synthesis of synthetically important 4,5-disubstituted dihydropyranones.

}, issn = {1523-7060}, doi = {10.1021/ol4026155}, author = {Yetra, Santhivardhana Reddy and Kaicharla, Trinadh and Kunte, Sunita S. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000317094300018, title = {Azide-functionalized lanthanide-based metal-organic frameworks showing selective CO2 gas adsorption and postsynthetic cavity expansion}, journal = {Inorganic Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {APR}, pages = {3588-3590}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report herein selective CO2 gas adsorption by two azide-functionalized lanthanide-based metal-organic frameworks (MOFs). This work also demonstrates that azide-functionalized MOFs can be used for postsynthetic cavity expansion, further corroborated by enhanced gas-sorption data.

}, issn = {0020-1669}, doi = {10.1021/ic302823r}, author = {Ganguly, Sumi and Pachfule, Pradip and Bala, Sukhen and Goswami, Arijit and Bhattacharya, Sudeshna and Mondal, Raju} } @article { ISI:000324309600011, title = {Basic structural motif and major biophysical properties of Amyloid-beta are encoded in the fragment 18-35}, journal = {Chemical Physics}, volume = {422}, number = {SI}, year = {2013}, month = {AUG}, pages = {80-87}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aggregation and misfolding of the amyloid beta (A beta) peptide is thought to initiate Alzheimer{\textquoteright}s disease (AD). Here we study the role played by its central segment (A beta(18-35)) in determining these properties. A beta(18-35) has a solubility of 18 mu M. The soluble fraction consists mainly of small oligomers, which have mixed beta-sheet and random coil structures. The monomer is mostly a random coil with some residual compactness. Aggregated A beta(18-35) forms fibrils of width 3.0 +/- 0.7 nm, which is consistent with a hairpin shape. Each of these properties has a close similarity to A beta(40). Remarkably, solid state NMR indicates that the fibrils also retain the secondary structure and tertiary contacts of A beta(40). This is the shortest fragment of A beta reported so far which preserves its fibrillar architecture, including the hairpin turn, as well as its solution phase conformational properties. Residues 18-35 should therefore be a key target of AD therapeutics. (C) 2013 Published by Elsevier B. V.

}, keywords = {Alzheimer{\textquoteright}s disease, Fluorescence correlation spectroscopy, Protein aggregation, Solid-state NMR}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2013.01.010}, author = {Chandrakesan, Muralidharan and Sarkar, Bidyut and Mithu, Venus Singh and Rajiv M. Abhyankar and Bhowmik, Debanjan and Nag, Suman and Sahoo, Bankanidhi and Shah, Riddhi and Gurav, Sushma and Banerjee, Raja and Dandekar, Sucheta and Jose, Jaya C. and Sengupta, Neelanjana and Madhu, Perunthiruthy K. and Maiti, Sudipta} } @article { ISI:000320816600007, title = {Biodegradation of chlorobenzene and chlorophenols by pseudomonas cultures}, journal = {Research Journal of Chemistry and Environment}, volume = {17}, number = {7}, year = {2013}, month = {JUL}, pages = {40-43}, publisher = {DR JYOTI GARG}, address = {SECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIA}, abstract = {

Cultures from NCIM culture collection (National Chemical Laboratory, Pune, India) were screened for biodegradation chlorobenzene (CB). A strain, Pseudomonas sp. NCIM 2303, was found to be most effective. The biodegradation was carried out in aqueous solution by resting cells. The decomposition of 0.02\% CB was 96.64\% in 24h. We have screened cultures for biodegradation of o-chlorophenol and p-chlorophenol. Pseudomonas sp. NCIM 2668 has shown 94.59\% degradation of 0.15\% o-chlorophenol. Pseudomonas sp. NCIM 2668 has shown 31.42\% degradation of 0.2\% p-chlorophenol.

}, keywords = {Biodegradation, chloride, chlorobenzene, etc., pollution, Pseudomonas sp}, issn = {0972-0626}, author = {Bhaskar, Gaikwad G. and Rita, Varma J.} } @article { ISI:000325264400010, title = {Biology-orientated synthesis of putrescine bisamides gigantamide A, dasyclamide, and cucullamide}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {20}, year = {2013}, month = {OCT}, pages = {2888-2892}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from putrescine and the requisite carboxylic acids, first syntheses of bioactive natural products gigantamide A, dasyclamide, and cucullamide were accomplished in very good overall yields using an appropriate sequence of dehydrative coupling reactions. The syntheses of the corresponding dehomo analogues of these natural products are also described. Regioselective diisobutylaluminum hydride reduction of an unhindered carbonyl group in citraconimide is the key step.

}, keywords = {dehydrative coupling reactions, diamines, natural and unnatural bisamides, regioselective reduction, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1339658}, author = {Batwal, Ramesh U. and N. P. Argade} } @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:000320838200014, title = {C-3 {\textquoteleft}-endo-puckered pyrrolidine containing PNA has favorable geometry for RNA binding: novel ethano locked PNA (ethano-PNA)}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {21}, number = {14}, year = {2013}, month = {JUL}, pages = {4092-4101}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel peptide nucleic acid (PNA) analogue is designed with a constraint in the aminoethyl segment of the aegPNA backbone so that the dihedral angle beta is restricted within 60-80 degrees, compatible to form PNA:RNA duplexes. The designed monomer is further functionalized with positively charged amino-/guanidino-groups. The appropriately protected monomers were synthesized and incorporated into aegPNA oligomers at predetermined positions and their binding abilities with cDNA and RNA were investigated. A single incorporation of the modified PNA monomer into a 12-mer PNA sequence resulted in stronger binding with complementary RNA over cDNA. No significant changes in the CD signatures of the derived duplexes of modified PNA with complementary RNA were observed. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Antisense therapeutics, Conformationally constrained PNA, Diagnostics, Peptide nucleic acid (PNA)}, issn = {0968-0896}, doi = {10.1016/j.bmc.2013.05.015}, author = {Banerjee, Anjan and Kumar, Vaijayanti A.} } @article { ISI:000313812400048, title = {Carbon nanofiber-RuO2-poly(benzimidazole) ternary hybrids for improved supercapacitor performance}, journal = {RSC Advances}, volume = {3}, number = {7}, year = {2013}, month = {DEC}, pages = {2428-2436}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Carbon nanofiber-RuO2-poly(benzimidazole) ternary hybrid electrode material which integrates dual wall decoration and interfacial area tuning for supercapacitor applications has been devised based on a simple approach. This is achieved by decorating RuO2 nanoparticles of size ca. 2-3 nm along the inner and outer walls of a hollow carbon nanofiber (CNF) support (F-20RuO(2)). In the next step, a proton conducting polymer, phosphoric acid doped polybenzimidazole (PBI-BuI), interface is created along the inner and outer surfaces of this material. A 103\% increase in the specific capacitance is obtained for RuO2-PBI hybrid material as compared to that of F-20RuO(2) at the optimum level of the polymer wrapping. Apart from the high specific capacitance, the RuO2-PBI hybrid materials exhibit enhanced rate capability and excellent electrochemical stability of 98\% retention in the capacitance. Such a remarkably high activity can be primarily attributed to the efficient dispersion of active sites achieved by properly utilizing inner and outer surfaces of CNF. Apart from this, the facile routes for ion transport created as a result of PBI incorporation coupled with excellent interfacial contact between the RuO2 and the electrolyte resulting in the improved utilization of the active material also contribute to the improved activity. In addition to this, the synergistic effects of pseudocapacitive contribution from both the PBI-BuI and RuO2 also contribute to the redefined performance characteristics.

}, issn = {2046-2069}, doi = {10.1039/c2ra22776b}, author = {Balan, Beena K. and Chaudhari, Harshal D. and Kharul, Ulhas K. and Kurungot, Sreekumar} } @article { ISI:000315069400009, title = {Catalytic activity of ZIF-8 in the synthesis of styrene carbonate from CO2 and styrene oxide}, journal = {Catalysis Communications}, volume = {32}, year = {2013}, month = {FEB}, pages = {36-40}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The catalytic activity of ZIF-8 in the synthesis of styrene carbonate from carbon dioxide and styrene oxide is presented. ZIF-8 crystals displayed catalytic activity even at temperatures as low as 50 degrees C, with styrene carbonate yields as high as similar to 54\% at 100 degrees C. In contrast to many prior-art catalysts, solvents or co-catalysts were not required. Pyridine and ammonia were used as probe molecules to estimate the type and density of acid sites in fresh and reused ZIF-8 catalysts. DRIFT spectroscopy of adsorbed pyridine revealed the presence of both Bronsted (B) and Lewis (L) acid sites. The B-sites have nearly vanished in the case of recycled ZIF-8 catalysts. The simultaneous presence of both the acid sites and the nitrogen basic moieties from the imidazole linker in ZIF-8 promoted the adsorption of the CO2 on the solid surface and its further conversion to the cyclic carbonate. The ZIF-8 catalysts could be recycled and reused without significant loss in catalytic activity. Published by Elsevier B.V.

}, keywords = {CO2 conversion, cyclic carbonates, Styrene carbonate, Zeolitic imidazolate frameworks, ZIF-8}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.12.003}, author = {Zhu, Minqi and Srinivas, Darbha and Bhogeswararao, Seemala and Ratnasamy, Paul and Carreon, Moises A.} } @article { ISI:000315168800013, title = {Catalytic signal amplification using [Fe-III(biuret-amide)]-mesoporous silica nanoparticles: visual cyanide detection}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {MAR}, pages = {2216-2218}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Catalytic signal amplification was used for the colorimetric detection of CN- in aqueous media by using the enzyme catalase in tandem with mesoporous silica nanoparticle based synthetic HRP enzyme mimic Fe-MSNs. Signal amplification up to a maximum of eight fold was observed for the reporter {\textquoteleft}{\textquoteleft}oxidized TMB{\textquoteright}{\textquoteright} with respect to the added CN- ion.

}, issn = {1359-7345}, doi = {10.1039/c3cc38932d}, author = {Panda, Chakadola and Dhar, Basab B. and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sen Gupta, Sayam} } @article {42705, title = {Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source}, journal = {Nature Chemistry}, volume = {5}, year = {2013}, month = {FEB}, pages = {122{\textendash}125}, abstract = {

The oxidation of alcohols to carboxylic acids is an important industrial reaction used in the synthesis of bulk and fine chemicals. Most current processes are performed by making use of either stoichiometric amounts of toxic oxidizing agents or the use of pressurized dioxygen. Here, we describe an alternative dehydrogenative pathway effected by water and base with the concomitant generation of hydrogen gas. A homogeneous ruthenium complex catalyses the transformation of primary alcohols to carboxylic acid salts at low catalyst loadings (0.2 mol\%) in basic aqueous solution. A consequence of this finding could be a safer and cleaner process for the synthesis of carboxylic acids and their derivatives at both laboratory and industrial scales.

}, doi = {10.1038/nchem.1536}, author = {Balaraman, Ekambaram and Khaskin, Eugene and Leitus, Gregory and Milstein, David} } @article { ISI:000320976600013, title = {Catalytic upgrading of renewable levulinic acid to ethyl levulinate biodiesel using dodecatungstophosphoric acid supported on desilicated H-ZSM-5 as catalyst}, journal = {Applied Catalysis A-General}, volume = {460}, year = {2013}, month = {JUN}, pages = {90-98}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Levulinic acid (LA) is considered as a renewable platform chemical and can be used for the synthesis of variety of important fuels and chemicals. In particular, its esterification with ethanol produces ethyl levulinate (EL) would be green process, as it can be used as diesel miscible biofuel (DMB), preventing global warming by decreasing atmospheric CO2. This study explores the use of modified H-ZSM-5 by desilication viz.; DH-ZSM-5 and dodecatungstophosphoric acid (DTPA) loaded on DH-ZSM-5 for esterification of LA with ethanol aiming to EL. Different degree of desilication of H-ZSM-5 was performed by using aq. NaOH (0.2-1.5 M) at 338 K for 30 min and then DTPA was loaded on these desilicated H-ZSM-5 (DH-ZSM-5) support. H-ZSM-5, DH-ZSM-5 and DTPA on these DH-ZSM-5 samples were characterized by powder x-ray diffraction (XRD), N-2 adsorption-desorption, pyridine chemisorbed IR spectroscopy, Temperature Programmed Ammonia Desorption (TPAD). The increase in conversion of levulinic acid was observed from 28\% to 94\% with increase of DTPA loading from 0\% to 15\%. The increased LA conversion may be due to increase in total acidity from 43.14\% to 84.31\%. The use of DH-ZSM-5 as support for deposition of DTPA may be reported for the first time. The present work also extended to optimize process parameters such as DTPA loading on DH-ZSM-5, catalyst to LA ratio, LA to ethanol molar ratio, speed of agitation, particle size reaction temperature and catalyst reusability. Kinetic study based on pseudo-homogeneous (P-H) model is also presented. The experimental results follow second order kinetics. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {desilicated H-ZSM-5, DTPA on desilicated H-ZSM-5, Esterification, ethyl levulinate, levulinic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.04.024}, author = {Nandiwale, Kakasaheb Y. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Deshpande, Shilpa S. and Patil, Vilas S. and Bokade, Vijay V.} } @article { ISI:000318042800015, title = {Chemical looping reforming of ethanol for syngas generation: a theoretical investigation}, journal = {International Journal of Energy Research}, volume = {37}, number = {6}, year = {2013}, month = {MAY}, pages = {645-656}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Chemical looping reforming (CLR) is a novel technology that can be used for reforming of cheaply available abundant biofuel like ethanol for the production of hydrogen/syngas for fuel cells. A systematic thermodynamic study for the CLR process using selected oxygen carriers was done to analyze the products and energy requirements of the CLR process in the temperature range of 5001200 degrees C at 1bar pressure for ethanol. The results showed favorable conditions for syngas manufacture from this process. Fe2O3 was found to be the best performing oxygen carrier followed by calcium and sodium sulfates, while Mn oxides were the least preferred oxygen carriers for CLR of ethanol process. The optimum process temperature was found to be 1000 degrees C. The actual CLR-ethanol process shows exothermicity against the theoretical endothermic partial oxidation of ethanol. The results obtained in this theoretical study can pave the way for experimental programs for syngas generation for SOFC-type fuel cells. Similar studies can be undertaken for other fuels for fuel processor development by CLR process. Copyright (c) 2012 John Wiley \& Sons, Ltd.

}, keywords = {chemical looping reforming, ethanol to syngas, Fuel Processor, Gibbs minimization, oxygen carriers}, issn = {0363-907X}, doi = {10.1002/er.1958}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D. and Bharadwaj, K. V.} } @article { ISI:000328099400036, title = {Chemically stable multilayered covalent organic nanosheets from covalent organic frameworks via mechanical delamination}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {47}, year = {2013}, month = {NOV}, pages = {17853-17861}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A series of five thermally and chemically stable functionalized covalent organic frameworks (COFs), namely, TpPa-NO2, TpPa-F-4, TpBD-(NO2)(2), TpBD-Me-2, and TpBD-(OMe)(2) were synthesized by employing the solvothermal aldehyde-amine Schiff base condensation reaction. In order to complete the series, previously reported TpPa-1, TpPa-2, and TpBD have also been synthesized, and altogether, eight COFs were fully characterized through powder X-ray diffraction (PXRD), Fourier transform IR (FT-IR) spectroscopy, C-13 solid-state NMR spectroscopy, and thermogravimetric analysis. These COFs are crystalline, permanently porous, and stable in boiling water, acid (9 N HCl), and base (3 N NaOH). The. synthesized COFs (all eight) were successfully delaminated using a simple, safe, and environmentally friendly mechanical grinding route to transform into covalent organic nanosheets (CONs) and were well characterized via transmission electron microscopy and atomic force microscopy. Further PXRD and FT-IR analyses confirm that these CONs retain their structural integrity throughout the delamination process and also remain stable in aqueous, acidic, and basic media like the parent COFs. These exfoliated CONs have graphene-like layered morphology (delaminated layers), unlike the COFs from which they were synthesized.

}, issn = {0002-7863}, doi = {10.1021/ja408121p}, author = {Chandra, Suman and Kandambeth, Sharath and Biswal, Bishnu P. and Lukose, Binit and Kunjir, Shrikant M. and Chaudhary, Minakshi V. and BabaRao, Ravichandar and Heine, Thomas and Banerjee, Rahul} } @article { ISI:000312940700015, title = {Chemistry in India: unlocking the potential}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {1}, year = {2013}, month = {DEC}, pages = {114-117}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, issn = {1433-7851}, doi = {10.1002/anie.201206960}, author = {Arunan, Elangannan and Brakaspathy, Ramasamy and Desiraju, Gautam R. and Sivaram, Swaminathan} } @article { ISI:000324656500008, title = {Clay entrapped Cu(OH)(x) as an efficient heterogeneous catalyst for ipso-hydroxylation of arylboronic acids}, journal = {Applied Catalysis A-General}, volume = {466}, year = {2013}, month = {SEP}, pages = {60-67}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A remarkably active, selective and stable montmorilonite-KSF entrapped Cu(OH)(x) catalyst, has been prepared for the ipso-hydroxylation of arylboronic acids under ambient conditions without requirement of any ligand or base. This catalyst shows excellent reusability without leaching and any significant loss in catalytic activity. The catalyst was characterized using, XRD, SEM, TPR, IR, XPS and BET surface area measurement techniques. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {clay, Copper, heterogeneous catalysis, Phenols, Water chemistry}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.06.051}, author = {Dar, Bashir Ahmad and Bhatti, Prince and Singh, A. P. and Lazar, Anish and Sharma, Parduman R. and Sharma, Meena and Singh, Baldev} } @article {43313, title = {Cleavable and removable polymer thermosets for organic field effect transistor packaging}, journal = {RSC Advances}, volume = {3}, year = {2013}, month = {SEP}, pages = {22591-22596}, abstract = {Recent years have witnessed tremendous progress in the design and synthesis of electroactive materials for the fabrication of organic electronic devices. However, very little research effort has been devoted to developing organic packaging materials, which are crucial for the efficient functioning of the devices. Polymer thermosets (PTs) are extensively used for the packaging of microelectronic and optoelectronic devices. Although PTs are effective in providing mechanical stability and environmental protection to devices, the removal of PTs without destroying the underlying surface is cumbersome. Facile removal of PTs is essential to reuse the expensive substrates. Herein, we report the preparation of a thermoset using an aliphatic disulfide containing cross-linker, cystamine. By varying the cross-linker concentration, the mechanical property of the thermoset was varied from ductile to brittle. The ductile thermoset was coated on metal, semiconductor and flexible substrates. The thermosets were then cleaved using a biomolecule in neutral pH. We have demonstrated that the cleavage and removal of thermosets don{\textquoteright}t affect the surface properties of the underlying substrates. Furthermore, the thermosets were coated on top of organic field effect transistors to provide environmental protection. The thermoset coated devices showed a charge carrier mobility of 5.3 x 10(-3) cm(2) V-1 s(-1). Then, the thermoset was cleaved and removed, and the substrate was reused for the fabrication of organic field effect transistors with unchanged device efficiencies.}, doi = {10.1039/c3ra43320j}, author = {Arulkashmir, Arulraj and Bhosale, Manik E. and Krishnamoorthy, Kothandam} } @article { ISI:000322512300025, title = {Cloning, overexpression, crystallization and preliminary X-ray crystallographic analysis of a slow-processing mutant of penicillin G acylase from Kluyvera citrophila}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {69}, number = {8}, year = {2013}, month = {AUG}, pages = {925-929}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

{Kluyvera citrophila penicillin G acylase (KcPGA) has recently attracted increased attention relative to the well studied and commonly used Escherichia coli PGA (EcPGA) because KcPGA is more resilient to harsh conditions and is easier to immobilize for the industrial hydrolysis of natural penicillins to generate the 6-aminopenicillin (6-APA) nucleus, which is the starting material for semi-synthetic antibiotic production. Like other penicillin acylases, KcPGA is synthesized as a single-chain inactive pro-PGA, which upon autocatalytic processing becomes an active heterodimer of alpha and beta chains. Here, the cloning of the pac gene encoding KcPGA and the preparation of a slow-processing mutant precursor are reported. The purification, crystallization and preliminary X-ray analysis of crystals of this precursor protein are described. The protein crystallized in two different space groups, P1, with unit-cell parameters a = 54.0

}, issn = {1744-3091}, doi = {10.1107/S174430911301943X}, author = {Varshney, Nishant Kumar and Ramasamy, Sureshkumar and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article {42494, title = {CN? specific turn-on phosphorescent probe with probable application for enzymatic assay and as an imaging reagent}, journal = {Chemical Communications}, volume = {49}, year = {2013}, month = {OCT}, pages = {255-257}, abstract = {

A new {\textquotedblleft}turn-on{\textquotedblright} luminescence probe for imaging the uptake of 0.2 ppm inorganic CN- in live HeLa cells as well as for probing the CN- generation through an enzymatic process in a virtual aqueous medium at appropriate pH.

}, doi = {10.1039/C2CC37243F}, author = {Reddy, Upendar G. and Das, Priyadip and Saha, Sukdeb and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000313651700018, title = {Combinatorial approach of statistical optimization and mutagenesis for improved production of acidic phytase by Aspergillus niger NCIM 563 under submerged fermentation condition}, journal = {Applied Microbiology and Biotechnology}, volume = {97}, number = {2}, year = {2013}, month = {JAN}, pages = {673-679}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Combination of statistical optimization and mutagenesis to isolate hypersecretory strains is studied to maximize phytase production from Aspergillus niger NCIM 563 under submerged fermentation. The overall results obtained show a remarkable 5.98-fold improvement in phytase production rates when compared to that using basal medium. Optimization of culture conditions from parent strain is studied first by the Plackett-Burman technique to evaluate the effects of 11 variables for phytase production. The results showed that glucose, MgSO4, KCl, incubation period, and MnSO4 are the most significant variables affecting enzyme production. Further optimization in these variables, using a central composite design technique, resulted in 3.74-fold increase in the yield of phytase production to 254,500 U/l when compared with the activity observed with basal media (68,000 U/l) in shake flask. Our experiments show that the phytase from A. niger NCIM 563 exhibits desirable activity in simulated gastric fluid conditions with low pH and also improved thermostability when compared to commercial phytase. The improved yield demonstrates the potential applicability of phytase enzyme as a source of phytase supplement for phosphorus nutrition and environmental protection in animal feed industry. Physical and chemical mutagenesis experiments were carried out in parallel to isolate hypersecretory mutants that could possibly further enhance the enzyme production. Using optimized media conditions of the parent strain, our results show that mutant strain A. niger NCIM 1359 increased the phytase activity by another 1.6-fold to 407,200 U/l.

}, keywords = {Animal feed, Aspergillus niger, Mutagenesis, Phytase, Statistical optimization}, issn = {0175-7598}, doi = {10.1007/s00253-012-3965-8}, author = {Bhavsar, Kavita P. and Gujar, P. and Shah, P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article { ISI:000319229900002, title = {Compensatory proteolytic responses to dietary proteinase inhibitors from Albizia lebbeck seeds in the helicoverpa armigera larvae}, journal = {Arthropod-Plant Interactions}, volume = {7}, number = {3}, year = {2013}, month = {JUN}, pages = {259-266}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Plant proteinase inhibitors (PIs) have been shown to reduce the growth rates in larvae of numerous insect species. On the other hand, insects can also regulate their proteinases against plant PIs. In the present study, we report the compensatory activities of Helicoverpa armigera (Hubner) (Lepidoptera: Noctuidae) gut proteinases against the PIs of Albizia lebbeck seeds. Total of ten proteinase inhibitor bands were detected in the seed extract of A. lebbeck. Bioassays were conducted by feeding H. armigera larvae on diet containing partially purified PIs from A. lebbeck seeds. Results show that larval growth and survival was significantly reduced by A. lebbeck PIs. We found that higher activity H. armigera gut proteinase (HGP) isoforms observed in the midgut of control larvae were inhibited in the midgut of larvae fed on test diet. Some HGP isoforms were induced in the larvae fed on PI containing test diet; however, these isoforms showed lower activity in the larvae fed on control diet. Aminopeptidase activities were significantly increased in the midgut of larvae fed on test diet. A population of susceptible and resistant enzymes was observed in the midgut of H. armigera, when fed on diet containing PIs from A. lebbeck seeds. Our initial observations indicate that H. armigera can regulate its digestive proteinase activity against non-host plant PIs, too. It is important to study the exact biochemical and molecular mechanisms underlying this phenomenon in order to develop PI-based insect control strategies.

}, keywords = {Albizia lebbeck, Helicoverpa armigera, Midgut proteinases, Proteinase inhibitors, regulation}, issn = {1872-8855}, doi = {10.1007/s11829-012-9240-1}, author = {Hivrale, Vandana K. and Lomate, Purushottam R. and Basaiyye, Shriniwas S. and Kalve, Neeta D.} } @article { ISI:000328100400042, title = {Comprehensive study on mutual interplay of multiple V-shaped ligands on the helical nature of a series of coordination polymers and their properties}, journal = {Crystal Growth \& Design}, volume = {13}, number = {12}, year = {2013}, month = {DEC}, pages = {5487-5498}, abstract = {

{V-shaped ligands are commonly used for helical coordination polymer synthesis. However, employment of multiple V-shaped ligands does not always lead to a helical network. The mutual interplay of two V-shaped ligands, which is neither easily predictable nor well documented, plays a major role directing the self-assembly of the resultant network. We report here the construction of a series of novel coordination polymers {[Ni(OBA)(H2MDP)(H2O)]center dot(DMF)(3)}(n) (1),{[Ni(FBA)(H2MDP)]center dot(H2O)(3)center dot(DMF)\

}, author = {Goswami, Arijit and Bala, Sukhen and Pachfule, Pradip and Mondal, Raju} } @article { ISI:000324460900018, title = {Concise synthesis of (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate}, journal = {Arkivoc}, number = {2}, year = {2013}, month = {OCT}, pages = {220-227}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An efficient synthesis of (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate 1, a common intermediate for various polyhydroxylated piperidines is reported in six steps with 32\% overall yield starting from Garner{\textquoteright}s aldehyde. The key steps include the diastereoselective nucleophilic addition and intramolecular cyclization. (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate is a common precursor for the synthesis of 1-deoxy-L-mannojirimycin, 1-deoxy-L-idonojirimycin, L-fagomycin and related analogues.

}, keywords = {cyclization, Garner{\textquoteright}s aldehyde, nucleophilic addition, polyhydroxy piperidines}, issn = {1551-7004}, author = {Ramalingam, S. and Bhise, Ankushkumar D. and Show, Krishanu and Kumar, Pradeep} } @article { ISI:000321012900013, title = {Controlled synthesis of a catalytically active hybrid metal-oxide incorporated zeolitic imidazolate framework (MOZIF)}, journal = {Chemical Communications}, volume = {49}, number = {59}, year = {2013}, month = {JUN}, pages = {6617-6619}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rare hybrid Metal-Oxide incorporated Zeolitic Imidazolate Framework, MOZIF-1, containing tetrahedral Zn(II) and Mo(VI) centres has been synthesized. MOZIF-1 can degrade methyl orange and orange II dyes under visible light. Na-3[PMo12O40] is the source of Mo(VI) in MOZIF-1.

}, issn = {1359-7345}, doi = {10.1039/c3cc42904k}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI:000316859400002, title = {Crystal structure and fluorescence analysis of alkaline thermostable xylanase from bacillus sp (NCL 87-6-10)}, journal = {Protein and Peptide Letters}, volume = {20}, number = {2}, year = {2013}, month = {FEB}, pages = {125-132}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Structural information deduced from the new crystal form of xylanase from Bacillus sp (NCL 87-6-10) (ATBXYL-C) helped us to identify the active site and interpret the stability of the enzyme. The analysis of the tetragonal crystal structure of ATBXYL-C with a bound and cleaved xylotriose revealed the two glutamic acid residues in the structure that could act as nucleophile (Glu94) and base (Glu184) in the enzyme activity and also the tryptophan residues interacting with the substrate. The cleavage of xylotriose in the crystal showed xylobiose to be the major product. Intrinsic fluorescence of the enzyme showed the presence of tryptophans in partially exposed to the solvent at the active site and surface tryptophans in electropositive environment. The titration experiments with xylobiose and xylotriose revealed slightly enhanced preference for longer chain X3 compared with X2. The crystal structure also account for some of the factors, such as increased number of ionic interactions and additional interactions at the N-terminus, which contributed to increased alkalophilicity and thermostability of the enzyme.

}, keywords = {active site residues, Alkaline thermophile Bacillus xylanase (ATBXYL-C), fluorescence studies, three-dimensional structure}, issn = {0929-8665}, doi = {10.2174/092986613804725271}, author = {Satyanarayana, L. and Gaikwad, Sushama M. and Balkrishnan, H. and Suresh, C. G.} } @article { ISI: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:000324465000030, title = {Design, synthesis, evaluation and thermodynamics of 1-substituted pyridylimidazo[1,5-a]pyridine derivatives as cysteine protease inhibitors}, journal = {Plos One}, volume = {8}, number = {8}, year = {2013}, month = {AUG}, pages = {e69982}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Targeting papain family cysteine proteases is one of the novel strategies in the development of chemotherapy for a number of diseases. Novel cysteine protease inhibitors derived from 1-pyridylimidazo[1,5-a]pyridine representing pharmacologically important class of compounds are being reported here for the first time. The derivatives were initially designed and screened in silico by molecular docking studies against papain to explore the possible mode of action. The molecular interaction between the compounds and cysteine protease (papain) was found to be very similar to the interactions observed with the respective epoxide inhibitor (E-64c) of papain. Subsequently, compounds were synthesized to validate their efficacy in wet lab experiments. When characterized kinetically, these compounds show their K-i and IC50 values in the range of 13.75 to 99.30 mu M and 13.40 to 96.50 mu M, respectively. The thermodynamics studies suggest their binding with papain hydrophobically and entropically driven. These inhibitors also inhibit the growth of clinically important different types of Gram positive and Gram negative bacteria having MIC50 values in the range of 0.6-1.4 mu g/ml. Based on Lipinski{\textquoteright}s rule of Five, we also propose these compounds as potent antibacterial prodrugs. The most active antibacterial compound was found to be 1-(2-pyridyl)-3-(2-hydroxyphenyl)imidazo[1,5-a]pyridine (3a).

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0069982}, author = {Khan, Mohd Sajid and Baig, Mohd Hassan and Ahmad, Saheem and Siddiqui, Shapi Ahmad and Srivastava, Ashwini Kumar and Srinivasan, Kumar Venkatraman and Ansari, Irfan A.} } @article { ISI:000319417100005, title = {Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors}, journal = {Chemical Biology \& Drug Design}, volume = {81}, number = {6}, year = {2013}, month = {JUN}, pages = {715-729}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

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

}, keywords = {ADMET, docking, enoyl-ACP reductase, FabI, hydrogen bonding, NMR, phenylaminoacetic acid benzylidene hydrazine, Plasmodium falciparum, Plasmodium falciparum enoyl-ACP reductase, QSAR, recursive partitioning, X-ray diffraction}, issn = {1747-0277}, doi = {10.1111/cbdd.12118}, author = {Samal, Ramanuj P. and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Bwalya, Angela Gono and Tasdemir, Deniz and Joshi, Ramesh A. and Rajamohanan, P. R. and Puranik, Vedavati G. and Coutinho, Evans C.} } @article { ISI:000325194900021, title = {Designing a thiol specific fluorescent probe for possible use as a reagent for intracellular detection and estimation in blood serum: kinetic analysis to probe the role of intramolecular hydrogen bonding}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {38}, year = {2013}, month = {OCT}, pages = {6604-6614}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new and simple chemodosimetric probe L-1 is utilized for the selective detection of biothiols in the presence of other relevant amino acids under physiological conditions (pH = 7.4). This eventually led to a turn-off luminescence response due to an effective photoinduced electron transfer based signaling mechanism. A comparison of the results of the fluorescence kinetic analysis and H-1 NMR studies of the reaction between thiol and L-1 or the analogous compound L-2 revealed the role of intramolecular hydrogen bonding in activating the imine functionality towards nucleophilic addition. Such an example is not common in contemporary literature. Conventional MTT assay studies revealed that this probe (L-1) has low cytotoxicity. Results of the cell imaging studies revealed that this probe was cell membrane permeable and could detect the intracellular distribution of biothiols within living HeLa cells. Furthermore, our studies with human blood plasma demonstrated the possibility of using this reagent for the quantitative optical detection of total biothiols in biological fluid. Such an example for the detection of biothiols in real biological samples is rare in the contemporary literature. These results clearly demonstrate the possibility of using this reagent in medicinal biology and diagnostic applications.

}, issn = {1477-0520}, doi = {10.1039/c3ob41284a}, author = {Das, Priyadip and Mandal, Amal Kumar and Reddy, Upendar G. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000311219900028, title = {Effect of cation distribution on structural and magnetic properties of Dy substituted magnesium ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {327}, year = {2013}, month = {FEB}, pages = {159-166}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Magnesium ferrite and dysprosium (Dy3+) substituted with composition MgDyxFe2-xO4 (x = 0.00-0.07) was prepared by solid state reaction technique. Spinel phase formation was identified using x-ray diffraction technique, thus establishing the cubic spinel symmetry. The morphology was seen through scanning electron microscopic technique, from where the grain size was calculated using average intercept line method. The elemental composition of pure and dysprosium substituted magnesium ferrite was calculated from energy dispersive x-ray analysis spectrum which is then correlated with the experimentally obtained values. Magnetic hysteresis loop of the various compositions establishes it to be soft ferrimagnetic material. The magnetic parameters such as saturation magnetization, coercivity, and retentivity were also calculated. Temperature dependence of saturation magnetization was done to find the Curie temperature of different compositions. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Cation distribution, Curie temperature, Electron microscopy, Magnetization, Spinel ferrite}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2012.09.013}, author = {Bamzai, K. K. and Kour, Gurbinder and Kaur, Balwinder and Kulkarni, S. D.} } @article { ISI:000315306200009, title = {Effect of clay and of electrospinning on the polymorphism, structure and morphology of poly(vinylidene fluoride)}, journal = {European Polymer Journal}, volume = {49}, number = {1}, year = {2013}, month = {JAN}, pages = {90-99}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Electrospun poly(vinylidene fluoride) (PVDF) fibers, containing different amounts of montmorillonite clay were produced, in order to study the effect of clay and of the electrospinning process on the polymorphism, structure and morphology of the PVDF matrix, Clay acted as a processing aid agent, avoiding the formation of beads and improving the quality of the fibers. Clay and the electrospinning process acted synergically on the chain mobility, favoring the formation of beta phase of PVDF, the most valuable for its piezoelectric properties, and shaping its semicrystalline morphology. Electrospinning did not significantly aid the dispersion of clay within the matrix. The interplay of formulation and processing in these composites allowed to obtain PVDF-based materials with varying polymorphism, structure and morphology, offering the possibility to ultimately control their functional properties. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Composite, electrospinning, Poly(vinylidene fluoride), Polymer, polymorphism, SAXS}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2012.09.023}, author = {Neppalli, Ramesh and Wanjale, Santosh and Birajdar, Mallinath S. and Causin, Valerio} } @article { ISI:000315548100030, title = {Effect of foulants on arsenic rejection via polyacrylonitrile ultrafiltration (UF) membrane}, journal = {Desalination}, volume = {309}, year = {2013}, month = {JAN}, pages = {243-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Arsenic rejection via modified polyacrylonitrile ultrafiltration (UF) membrane was found to be very high, however, the presence of commonly found foulants in arsenic solution affected membrane performance. The effect of commonly found foulants, such as ovalbumin, humic acid and egg white on arsenic rejection were studied. Experiments indicated that the As(V) rejection was affected by the total quantity of proteins and not the variety of proteins present in a solution. As(V) rejection was found to decrease with increasing proteins while fouling was found to increase from 25\% for 0.1 mg/ml to 33\% for 0.5 mg/ml egg white. The As(V) rejection was found to decrease with increasing concentration of humic acid for PAN membranes. Fouling studies showed that humic acid was a lesser foulant in comparison to egg white. However a combination of the two foulants led to a decrease in the overall fouling. pH was also found to be a very important factor for egg white dissolution and As(V) rejection. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Arsenic rejection, Egg white, Humic acid, Ovalbumin, Polyacrylonitrile, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2012.10.023}, author = {Agarwal, Gopal P. and Karan, Raj and Bharti, Sachin and Kumar, Hemant and Jhunjhunwala, Sumit and Sreekrishnan, T. R. and Kharul, Ulhas K.} } @article { ISI:000319875500022, title = {Effect of phytase from aspergillus niger on plant growth and mineral assimilation in wheat (Triticum aestivum Linn.) and its potential for use as a soil amendment}, journal = {Journal of the Science of Food and Agriculture}, volume = {93}, number = {9}, year = {2013}, month = {JUL}, pages = {2242-2247}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Background Extensive use of non-replenishable phosphate reserves as phosphate supplements in agriculture and animal feed poses a threat for environmental pollution and necessitated a search for alternative phosphate sources. Unlocking the phytate phosphorus using microbial phytase can provide an ecofriendly solution in agriculture. The aim of the present work was to evaluate the effect of phytase from Aspergillus niger NCIM 563 in degradation of phytate phosphorus to benefit plant nutrition and soil amendment in comparison with chemical fertilizers. Results An enzyme dose of 12 IU was sufficient to hydrolyze phytate and increase assimilation of phosphorus by about 74\%. Phytase supplementation leads to increase in shoot:total length ratio by about 200\%, indicating its growth-promoting effect. Consistency in phytase-induced growth was reflected at pot and tray levels, wherein shoot:total length ratio was observed to be 2.01 and 2.12 respectively. Mineral assimilation due to phytase was more efficient as compared to chemical fertilizers, thus overcoming the constraints of practicability and economics in the agriculture industry. Phytase was efficient in reducing the phytic acid content of soil by about 30\% while simultaneously increasing the phytate phosphate availability by 1.18-fold. Conclusion Phytase from A. niger showed improvement in phytate phosphorus and mineral availability. Besides a plant growth-promoting effect, reduction in use of chemical fertilizers and soil improvement could be achieved simultaneously for maintaining the sustainability of agriculture. (c) 2012 Society of Chemical Industry

}, keywords = {mineral assimilation, Phytase, phytate degradation, plant growth promotion, soil amendment}, issn = {0022-5142}, doi = {10.1002/jsfa.6032}, author = {Gujar, Pradnya D. and Bhavsar, Kavita P. and Khire, Jayant Malhar} } @article { ISI:000315720000020, title = {Effect of the viscosity of poly(benzimidazole) on the performance of a multifunctional electrocatalyst with an ideal interfacial structure}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {13}, year = {2013}, month = {JAN}, pages = {4265-4276}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel electrocatalyst system with unique multifunctional characteristics, originated by the presence of a proton conducting polybenzimidazole (PBI-BuI) bound layer and electron conducting hollow carbon nanofibers (CNF) with catalytically active Pt nanoparticles, has been devised based on a simple strategy. This was achieved by decorating Pt nanoparticles along the inner cavity, as well as on the outer walls of the hollow CNF support (F-Pt). In a further extension, a low molecular weight PBI, synthesized by optimizing the experimental parameters, was incorporated into the inner cavity and along the outer surfaces of F-Pt. Excellent dispersion of the Pt nanoparticles was achieved by properly utilizing the available carbon surface results in improved electrocatalytic activity, while the CNF backbone ensures high electron conductivity as well. The polymer binder coverage formed along the inner and outer wall surfaces provides an efficient triple phase boundary (TPB) around the Pt nanoparticles to facilitate the electrode reactions. The amount and the viscosity of the PBI-BuI in the electrode material were systematically varied to study the influence on the electrochemical performance. Transmission electron microscopy analysis confirms PBI insertion into the tubular cavity of CNF. Pore size distribution analysis implies that both the viscosity and the amount of PBI-BuI have a pivotal role in defining the microstructure of the electrode. Electrochemical studies using cyclic voltammetry (CV) and rotating disc electrode (RDE) reveal the exceptionally high activity of this hybrid material with an improved electrochemically active area. The significant improvement for the oxygen reduction reaction is further confirmed by the single cell analysis also. The high power density displayed by the PBI-BuI based system, as compared to the Nafion based system, validates the conceptualization of the well controlled triple-phase boundary in the system. These results demonstrate that PBI-BuI has a constructive effect in tuning the electrochemical activity at an optimum amount and at a favourable viscosity of the proton conducting polymer.

}, issn = {2050-7488}, doi = {10.1039/c3ta00165b}, author = {Balan, Beena K. and Unni, Bipinlal and Chaudhari, Harshal D. and Kharul, Ulhas K. and Kurungot, Sreekumar} } @article { ISI:000320914200003, title = {Efficient bakers{\textquoteright} yeast-catalyzed multicomponent synthesis of -aminophosphonates in one pot}, journal = {Synthetic Communications}, volume = {43}, number = {19}, year = {2013}, month = {OCT}, pages = {2583-2589}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Utilizing bakers{\textquoteright} yeast (Saccharomyces cerevisiae) as a biocatalyst, synthesis of -aminophosphonates in one pot has been accomplished by the three-component reaction of an aldehyde, an amine, and diethyl phosphite in moderate to good yields under solvent-free reaction conditions. Supplemental materials are available for this article. Go to the publisher{\textquoteright}s online edition of Synthetic Communications (R) to view the free supplemental file.

}, keywords = {-aminophosphonates, aldehydes, amines, green chemistry, Saccharomyces cerevisiae, solvent-free conditions}, issn = {0039-7911}, doi = {10.1080/00397911.2012.721918}, author = {Bhattacharya, Asish K. and Mujahid, Mohammad} } @article { ISI:000326320000017, title = {Efficient, stable, and reusable silicoaluminophosphate for the one-pot production of furfural from hemicellulose}, journal = {ACS Catalysis}, volume = {3}, number = {10}, year = {2013}, month = {OCT}, pages = {2299-2303}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of stable, reusable, and water tolerant solid acid catalysts in the conversion of polysaccharides to give value-added chemicals is vital because catalysts are prone to undergo morphological changes during the reactions With the anticipation that silicoaluminophosphate (SAPO) catalysts will have higher hydrothermal stability, those were synthesized, characterized, and employed in a one-pot conversion of hemicellulose. SAPO-44 catalyst at 170 degrees C within 8 h could give 63\% furfural yield with 88\% mass balance and showed similar activity up to at least 8 catalytic cycles. The morphological studies revealed that SAPO catalysts having hydrophilic characteristics are stable under reaction conditions.

}, keywords = {furfural, Hemicellulose, hydrophilicity, SAPO, water-tolerant catalyst, zeolite}, issn = {2155-5435}, doi = {10.1021/cs400495j}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000322343100023, title = {Electron rich porous extended framework as a heterogeneous catalyst for Diels-Alder reactions}, journal = {Chemical Communications}, volume = {49}, number = {67}, year = {2013}, month = {JUN}, pages = {7439-7441}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An electron rich porous metal-organic framework (MOF) has been synthesized, which acts as an effective heterogeneous catalyst for Diels-Alder reactions through encapsulation of the reactants in confined nano-channels of the framework.

}, issn = {1359-7345}, doi = {10.1039/c3cc43681k}, author = {Gole, Bappaditya and Bar, Arun Kumar and Mallick, Arijit and Banerjee, Rahul and Mukherjee, Partha Sarathi} } @article { ISI:000315874200009, title = {Electronic transition dipole moments and dipole oscillator strengths within fock-space multi-reference coupled cluster framework: an efficient and novel approach}, journal = {Journal of Chemical Physics}, volume = {138}, number = {9}, year = {2013}, month = {MAR}, pages = {094108}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Within the Fock-space multi-reference coupled cluster framework, we have evaluated the electronic transition dipole moments, which determine absorption intensities. These depend on matrix elements between two different wave functions (e. g., ground state to the excited state). We present two different ways, to calculate these transition moments. In the first method, we construct the ground and excited state wave functions with the normal exponential ansatz of Fock-space coupled cluster method and then calculate the relevant off-diagonal matrix elements. In the second approach, we linearize the exponential form of the wave operator which will generate the left vector, by use of Lagrangian formulation. The right vector is obtained from the exponential ansatz. In order to relate the transition moments to oscillator strengths, excitation energies need to be evaluated. The excitation energies are obtained from the Fock-space multi-reference framework. The transition dipole moments of the ground to a few excited states, together with the oscillator strengths of a few molecules, are presented. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4793277]

}, issn = {0021-9606}, doi = {10.1063/1.4793277}, author = {Bhattacharya, Debarati and Vaval, Nayana and Pal, Sourav} } @article { ISI:000326615100015, title = {Employing arynes in transition-metal-free monoarylation of aromatic tertiary amines}, journal = {Organic Letters}, volume = {15}, number = {21}, year = {2013}, month = {NOV}, pages = {5452-5455}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The highly monoselective N-arylation of aromatic tertiary amines using a transition-metal-free approach using arynes has been developed. The reaction afforded functionalized diaryl amines in moderate to excellent yield. High levels of functional group compatibility especially with halogen containing substrates, dyes and donor-acceptor systems, and high yields of products are the notable features of the present reaction.

}, issn = {1523-7060}, doi = {10.1021/ol4029258}, author = {Bhojgude, Sachin Suresh and Kaicharla, Trinadh and Biju, Akkattu T.} } @article { ISI:000319405900025, title = {Engaging isatins in solvent-free, sterically congested passerini reaction}, journal = {Green Chemistry}, volume = {15}, number = {6}, year = {2013}, month = {APR}, pages = {1608-1614}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile, atom-economic and environmentally-benign protocol for the synthesis of biologically important oxindole derivatives in high yields has been demonstrated by employing isatins as carbonyl compound surrogates in a Passerini reaction carried out under solvent-free conditions. Moreover, electron-deficient phenols can also be used as the acid component in this reaction. In addition, the synthetic utility of the present methodology was examined by the one-pot synthesis of oxindoles with a free -OH group at the benzylic position.

}, issn = {1463-9262}, doi = {10.1039/c3gc40454d}, author = {Kaicharla, Trinadh and Yetra, Santhivardhana Reddy and Roy, Tony and Biju, Akkattu T.} } @article { ISI:000321481300045, title = {Enhanced electrochromic coloration in Ag nanoparticle decorated WO3 thin films}, journal = {Electrochimica Acta}, volume = {102}, year = {2013}, month = {JUL}, pages = {358-368}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

WO3/Ag composite thin films were prepared by microwave assisted sol-gel synthesis (MW-SGS) of WO3 followed by vacuum evaporation of Ag nanoparticles and their enhanced electrochromic coloration was investigated. The composition and morphology of WO3 thin films with different thickness of Ag layer obtained by vacuum evaporation were investigated. Distinct plasmon absorption bands of Ag nanoparticle thin films were obtained. The optical band gap energy of WO3/Ag films decreased with increasing the Ag layer thickness. The surface of these films has been examined using X-ray photoelectron spectroscopy (XPS) to gain information about the chemical states of species present at surfaces. Experimental results indicated that the conductivity of the films increased after surface modification by Ag layer. To investigate the origin of enhanced electrochromic absorption in optical properties, working electrode consisting of WO3/Ag thin film was used and observed the optical properties during electrochemical reaction. It was found that composite electrode shows enhancement in electrochromic properties in terms of optical modulation (Delta OD) and coloration efficiency (eta). (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Ag2WO4, CIE coordinates, Electrochromism, SPR, WO3/Ag composite thin films}, issn = {0013-4686}, doi = {10.1016/j.electacta.2013.03.123}, author = {Kharade, Rohini R. and Mali, Sawanta S. and Patil, Satish P. and Patil, Kashinath R. and Gang, Myong G. and Patil, Pramod S. and Kim, Jin H. and Bhosale, Popatrao N.} } @article { ISI:000327410300055, title = {Enhancement of chemical stability and crystallinity in porphyrin-containing covalent organic frameworks by intramolecular hydrogen bonds}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {49}, year = {2013}, month = {DEC}, pages = {13052-13056}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {covalent organic frameworks, hydrogen bonds, mesoporous materials, porphyrinoids, tautomerism}, issn = {1433-7851}, doi = {10.1002/anie.201306775}, author = {Kandambeth, Sharath and Shinde, Digambar Balaji and Panda, Manas K. and Lukose, Binit and Heine, Thomas and Banerjee, Rahul} } @article { ISI:000317558000024, title = {Epoxidation of styrene by t-butyl hydroperoxide over gold nanoparticles supported on Yb2O3: effect of gold deposition method, gold loading, and calcination temperature of the catalyst on its surface properties and catalytic performance}, journal = {Journal of Catalysis}, volume = {300}, year = {2013}, month = {APR}, pages = {217-224}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Surface properties and epoxidation performance of Au/Yb2O3 catalyst are influenced by the method of gold deposition [viz. deposition-precipitation (DP), homogeneous deposition-precipitation (HDP) or impregnation], gold loading (0.9-6.6 wt\%), and the catalyst calcination temperature (400-900 degrees C)]. The catalyst showed the best epoxidation performance when it was prepared by the HDP method and calcined at 500 degrees C. The Au/Yb2O3 catalyst even after calcination at 900 degrees C showed good activity and epoxide selectivity. Both Au-0 and Au3+ surface species were found in the catalyst calcined at 800 degrees C, but only Au-0 species were observed at the lower calcination temperatures (\<600 degrees C). The selectivity for styrene oxide increased continuously with the reaction temperature (from 75 degrees C to 97 degrees C) and time (1-5 h), indicating that styrene oxide did not undergo secondary reactions under these conditions. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Au/Yb2O3 catalyst, Epoxidation of styrene, gold nanoparticles, Styrene oxide, tert-Butyl hydroperoxide}, issn = {0021-9517}, doi = {10.1016/j.jcat.2013.01.002}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Patil, N. S. and Uphade, B. S. and Bhargava, Suresh Kumar} } @article { ISI:000317469700034, title = {Flow and heat transfer in serpentine channels}, journal = {Aiche Journal}, volume = {59}, number = {5}, year = {2013}, month = {MAY}, pages = {1814-1827}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Serpentine channels are often used in microchannel reactors and heat exchangers. These channels offer better mixing, higher heat and mass-transfer coefficients than straight channels. In the present work, flow and heat transfer experiments were carried out with a serpentine channel plate comprising of 10 units (single unit dimensions: 1 x 1.5 mm(2) in cross section, length 46.28 mm, D-h 1.2 mm) in series. Pressure drop and heat-transfer coefficients were experimentally measured. Flow and heat transfer in the experimental set-up were simulated using computational fluid dynamics (CFD) models to understand the mechanisms responsible for performance enhancement. The CFD methodology, thus, developed was applied to understand the effect of various geometrical parameters on heat transfer enhancement. A criterion was defined for evaluation of heat transfer performance (heat transfer per unit pumping power), thus, ensuring due considerations to required pumping power. The effect of geometrical parameters and the corresponding mechanisms contributing for enhancement are discussed briefly. Based on the results, a design map comprising different serpentine channels showing heat transfer enhancement with pumping power was developed for Reynolds number of 200 which will be useful for further work on flow and heat transfer in serpentine channels. (C) 2012 American Institute of Chemical Engineers AIChE J, 59: 1814-1827, 2013

}, keywords = {computational fluid dynamics, heat transfer, pressure drop, serpentine}, issn = {0001-1541}, doi = {10.1002/aic.13954}, author = {Karale, Chaitanya M. and Bhagwat, Sunil S. and Ranade, Vivek V.} } @article { ISI:000316691100012, title = {Fluorescent sophorolipid molecular assembly and its magnetic nanoparticle loading: a pulsed laser process}, journal = {Green Chemistry}, volume = {15}, number = {4}, year = {2013}, month = {JAN}, pages = {943-953}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report realization of strong green fluorescence in a fully biocompatible highly spherical mesoscale molecular assembly of sophorolipid created by pulsed UV laser processing of a water-based dispersion of sophorolipid. Remarkably, the said fluorescence is totally absent in the original molecule of sophorolipid and is thus the property of the pulsed laser induced modifications in the molecule and the assembly. We have separately examined the consequences of laser irradiation for glucose and oleic acid components which form the sophorolipid. This fluorescence character appears to be driven by the oleic acid component while the assembly process is assisted by the glucose component. Importantly the laser synthesized mesostructures can be easily redispersed in an aqueous medium after being dried and can also be loaded with magnetic nanoparticles (magnetite) for inducing the hyperthermia effect.

}, issn = {1463-9262}, doi = {10.1039/c3gc40108a}, author = {Singh, Pradeep Kumar and Mukherji, Ruchira and Joshi-Navare, Kasturi and Banerjee, Abhik and Gokhale, Rohan and Nagane, Satyawan and Prabhune, Asmita and Ogale, Satishchandra} } @article { ISI:000318538100003, title = {Fock space multireference coupled cluster theory: study of shape resonance}, journal = {International Journal of Quantum Chemistry}, volume = {113}, number = {12}, year = {2013}, month = {JUN}, pages = {1690-1695}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The complex absorbing potential along with correlated independent particle potential (CIP) Fock space multireference coupled cluster method is used for the study of resonances. We have studied shape resonance of e(-) - F-2, e(-) - N2O and e(-) -CO molecules. In particular, we have studied e(-) - F-2 scattering at different bond lengths to know whether F-2(-) is bound at the equilibrium bond length of F-2. (C) 2013 Wiley Periodicals, Inc.

}, keywords = {correlated independent particle potential, Fock-space multireference coupled cluster theory, shape resonance}, issn = {0020-7608}, doi = {10.1002/qua.24387}, author = {Bhattacharya, Sumantra and Vaval, Nayana and Pal, Sourav} } @article {42701, title = {Formation of tertiary amides and H2 by dehydrogenative coupling of primary alcohols with secondary amines catalyzed by ruthenium bipyridine-based pincer complexes}, journal = {Advanced Synthesis \& Catalysis}, volume = {355}, year = {2013}, month = {SEP}, pages = {2525{\textendash}2530}, abstract = {

Dehydrogenative coupling of primary alcohols with secondary amines to form tertiary amides and dihydrogen (H2) is efficiently catalyzed by bipyridyl-based ruthenium pincer complexes (0.2{\textendash}1 mol\%) under neutral conditions (in case of the dearomatized complexes), or with added catalytic amount of base. The reaction is sensitive to steric hindrance; in the case of amidation of bulky secondary amines a less sterically hindered complex is more efficient. Selective acylation of primary amines in the presence of secondary amines was also demonstrated.

}, doi = {10.1002/adsc.201300620}, author = {Srimani, Dipankar and Balaraman, Ekambaram and Hu, Peng and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000314795300042, title = {Four 3D Cd(II)-based metal organic hybrids with different N,N {\textquoteleft}-donor spacers: syntheses, characterizations, and selective gas adsorption properties}, journal = {Crystal Growth \& Design}, volume = {13}, number = {2}, year = {2013}, month = {FEB}, pages = {731-739}, abstract = {

{Four new metal organic frameworks with bivalent cadmium, disodium succinate (Na(2)suc), and four different N,N{\textquoteright}-donor ligands, i.e., {[Cd(L1)(suc)]center dot(H2O)(3)}(n) (1), {[Cd(L2)(suc)]center dot(H2O)(2)\

}, author = {Bhattacharya, Biswajit and Dey, Rajdip and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI:000316812000002, title = {Fractal nature of protein surface roughness: a note on quantification of change of surface roughness in active sites, before and after binding}, journal = {Journal of Molecular Recognition}, volume = {26}, number = {5}, year = {2013}, month = {MAY}, pages = {201-214}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Year 2010 marked the 25th year since we came to know that roughness of a protein surface has fractal symmetry. Ever since the publication of Lewis and Rees{\textquoteright} paper, hundreds of works from a spectrum of perspectives have established that fractal dimension (FD) can be considered as a reliable marker that describes roughness of protein surface objectively. In this article, we introduce readers to the fundamentals of fractals and present categorical biophysical and geometrical reasons as to why FD-based constructs can describe protein surface roughness more accurately. We then review the commonality (and the lack of it) between numerous approaches that have attempted to investigate protein surface with fractal measures, before exploring the patterns in the results that they have produced. Apart from presenting the genealogy of approaches and results, we present an analysis that quantifies the difference in surface roughness in stretches of protein surface containing the active site, before and after binding to ligands, to underline the utility of FD-based measures further. It has been found that surface stretches containing the active site, in general, undergo a significant increment in its roughness after binding. After presenting the entire repertoire of FD-based surface roughness studies, we talk about two yet-unexplored problems where application of FD-based techniques can help in deciphering underlying patterns of surface interactions. Finally, we list the limitations of FD-based constructs and put down several precautions that one must take while working with them. Copyright (c) 2013 John Wiley \& Sons, Ltd.

}, keywords = {active site roughness, fractal dimension, protein surface roughness, statistical self-similarity, van der Waals contacts}, issn = {0952-3499}, doi = {10.1002/jmr.2264}, author = {Banerji, Anirban and Navare, Charudatta} } @article {42636, title = {Gamma-glutamyl transferases: a structural, mechanistic and physiological perspective}, journal = {Frontiers in Biology}, volume = {9}, year = {2013}, month = {JAN}, pages = {51{\textendash}65}, abstract = {

Gamma glutamyl transferases (GGT) are highly conserved enzymes that occur from bacteria to humans. They remove terminal γ-glutamyl residue from peptides and amides. GGTs play an important role in the homeostasis of glutathione (a major cellular antioxidant) and in the detoxification of xenobiotics in mammals. They are implicated in diseases like diabetes, inflammation, neurodegenerative diseases and cardiovascular diseases. The physiological role of GGTs in bacteria is still unclear. Nothing is known about the basis for the strong conservation of the enzyme across the living system. The review focuses on the enzyme{\textquoteright}s physiology, chemistry and structural properties of the enzyme with emphasis on the evolutionary relationships. The available data indicate that the members of the GGT family share common structural features but are functionally heterogenous.

}, doi = {10.1007/s11515-014-1288-0}, author = {Balakrishna, Sharath and Prabhune, Asmita} } @article { ISI:000316759800020, title = {Genome-wide identification and characterization of microRNA genes and their targets in flax (Linum usitatissimum)}, journal = {Planta}, volume = {237}, number = {4}, year = {2013}, month = {APR}, pages = {1149-1161}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

MicroRNAs (miRNAs) are small (20-24 nucleotide long) endogenous regulatory RNAs that play important roles in plant growth and development. They regulate gene expression at the post-transcriptional level by translational repression or target degradation and gene silencing. In this study, we identified 116 conserved miRNAs belonging to 23 families from the flax (Linum usitatissimum L.) genome using a computational approach. The precursor miRNAs varied in length; while most of the mature miRNAs were 21 nucleotide long, intergenic and showed conserved signatures of RNA polymerase II transcripts in their upstream regions. Promoter region analysis of the flax miRNA genes indicated prevalence of MYB transcription factor binding sites. Four miRNA gene clusters containing members of three phylogenetic groups were identified. Further, 142 target genes were predicted for these miRNAs and most of these represent transcriptional regulators. The miRNA encoding genes were expressed in diverse tissues as determined by digital expression analysis as well as real-time PCR. The expression of fourteen miRNAs and nine target genes was independently validated using the quantitative reverse transcription PCR (qRT-PCR). This study suggests that a large number of conserved plant miRNAs are also found in flax and these may play important roles in growth and development of flax.

}, keywords = {Digital expression analysis, Gene cluster, Linseed, miRNA, MiRNA target transcript, Promoter analysis}, issn = {0032-0935}, doi = {10.1007/s00425-012-1833-5}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Qiu, Shuqing and Rollins, Meaghen and Datla, Raju and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article { ISI:000316557400002, title = {Genome-wide identification and characterization of nucleotide binding site leucine-rich repeat genes in linseed reveal distinct patterns of gene structure}, journal = {Genome}, volume = {56}, number = {2}, year = {2013}, month = {FEB}, pages = {91-99}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {1200 MONTREAL ROAD, BUILDING M-55, OTTAWA, ON K1A 0R6, CANADA}, abstract = {

Plants employ different disease-resistance genes to detect pathogens and to induce defense responses. The largest class of these genes encodes proteins with nucleotide binding site (NBS) and leucine-rich repeat (LRR) domains. To identify the putative NBS-LRR encoding genes from linseed, we analyzed the recently published linseed genome sequence and identified 147 NBS-LRR genes. The NBS domain was used for phylogeny construction and these genes were classified into two well-known families, non-TIR (CNL) and TIR related (TNL), and formed eight clades in the neighbor-joining bootstrap tree. Eight different gene structures were observed among these genes. An unusual domain arrangement was observed in the TNL family members, predominantly in the TNL-5 clade members belonging to class D. About 12\% of the genes observed were linseed specific. The study indicated that the linseed genes probably have an ancient origin with few progenitor genes. Quantitative expression analysis of five genes showed inducible expression. The in silico expression evidence was obtained for a few of these genes, and the expression was not correlated with the presence of any particular regulatory element or with unusual domain arrangement in those genes. This study will help in understanding the evolution of these genes, the development of disease resistant varieties, and the mechanism of disease resistance in linseed.

}, keywords = {Flax, in silico gene expression, motif analysis, NBS-LRR, Phylogenetic analysis, Promoter analysis}, issn = {0831-2796}, doi = {10.1139/gen-2012-0135}, author = {Kale, Sandip M. and Pardeshi, Varsha C. and Barvkar, Vitthal T. and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article { ISI:000313903700015, title = {Glycated proteome: from reaction to intervention}, journal = {Proteomics Clinical Applications}, volume = {7}, number = {1-2, SI}, year = {2013}, month = {JAN}, pages = {155-170}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Glycation, a nonenzymatic reaction between reducing sugars and proteins, is a proteome wide phenomenon, predominantly observed in diabetes due to hyperglycemia. Glycated proteome of plasma, kidney, lens, and brain are implicated in the pathogenesis of various diseases, including diabetic complications, neurodegenerative diseases, cancer, and aging. This review discusses the strategies to characterize protein glycation, its functional implications in different diseases, and intervention strategies to protect the deleterious effects of protein glycation.

}, keywords = {aging, Diabetes, Glycation, RAGE}, issn = {1862-8346}, doi = {10.1002/prca.201200101}, author = {Kulkarni, Mahesh J. and Korwar, Arvind M. and Mary, Sheon and Bhonsle, Hemangi S. and Giri, Ashok P.} } @article { ISI:000317799700001, title = {Green synthesis of silver nanoparticles using sunlight}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {258}, year = {2013}, month = {APR}, pages = {1-9}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Silver nanoparticles (AgNPs) are currently among the most widely used man-made nanomaterials, present in a huge range of consumer products. Here we report a simple {\textquoteleft}green{\textquoteright} method of AgNP synthesis of using an anionic surfactant without use of any additional reducing agents. It was observed that synthesis of AgNPs at room temperature (25-35 degrees C) using sodium dodecyl sulphate (SDS) and sunlight. The nanoparticles have been characterised using high-resolution transmission electron spectroscopy (HRTEM), UV-vis spectrophotometry, X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR) and are found to have an average diameter of 30 nm. The nanoparticles are water soluble and the nature of the process is amenable to scaling up. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {photochemistry, silver nanoparticles, Sodium dodecyl sulphate, XPS}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2013.02.015}, author = {Bhaduri, Gaurav A. and Little, Ross and Khomane, Ramdas B. and Lokhande, Suhas U. and Kulkarni, Bhaskar D. and Mendis, Budhika G. and Siller, Lidija} } @article { ISI:000329552500027, title = {HBGS (hydrate based gas separation) process for carbon dioxide capture employing an unstirred reactor with cyclopentane}, journal = {Energy}, volume = {63}, year = {2013}, month = {DEC}, pages = {252-259}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The effect of CP (cyclopentane) as a promoter/additive, in the HBGS (hydrate based gas separation) process for pre-combustion gas mixture was investigated by employing an unstirred reactor configuration. Gas uptake measurements were performed at two different temperatures (275.7 K and 285.7 K) and at an experimental pressure of 6.0 MPa to determine the kinetics of hydrate formation. Experiments were conducted with three different volumes (7.5, 15 and 22 ml) of CP and based on induction time and the rate of hydrate growth, 15 ml of CP was determined to be the optimal volume for carbon dioxide capture at 6.0 MPa and 275.7 K. In addition, the effect of a kinetic promoter, SDS (sodium dodecyl sulfate), was investigated. Surprisingly, no improvement in kinetic performance was observed at 6.0 MPa and 275.7 K in the presence of SDS and CP. From the study, it was found that at the optimal 15 ml CP (CP layer thickness of 1.8 mm), the average composition of carbon dioxide in the hydrate phase was 90.36 mol\% with a separation factor of 17.82. Furthermore, the unstirred reactor also yielded better kinetic performance over the stirred tank reactor with the unstirred reactor having a 2.28 times higher average gas uptake. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Cyclopentane, Gas hydrates, Gas separation, Pre-combustion, Unstirred reactor}, issn = {0360-5442}, doi = {10.1016/j.energy.2013.10.031}, author = {Ho, Leong Chuan and Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000320640500033, title = {Heat transfer calculations for decomposition of structure i methane hydrates by molecular dynamics simulation}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {23}, year = {2013}, month = {JUN}, pages = {12172-12182}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Microcanonical ensemble molecular dynamics simulations of structure I methane hydrate is presented in this work to study the endothermic decomposition process. The mechanism of decomposition of methane hydrate as a function of time was explained at the molecular level. The initial temperature and pressure of the simulation were chosen so as to depict the natural gas hydrate in conditions of oceanic sediments. A more realistic strategy was developed to perform the microcanonical ensemble simulation of solid liquid interface of hydrate and amorphous water. Two water models, SPC/E and TIP4P, were used for the simulations, and the results of the simulations were compared. Heat transfer calculations were performed on the adiabatic system, and an attempt has been made to fit the MD simulation results to the heat balance equations derived from the heat transfer calculations. Estimates of the properties at the macroscopic scale, like the equilibrium temperature of methane hydrate and rate of supply of hot water for sustained release of methane from solid hydrate phase, were determined. The equilibrium temperature obtained by the above method was found to be in agreement with the experimentally observed value. Both the SPC/E and TIP4P water models gave similar results.

}, issn = {1932-7447}, doi = {10.1021/jp4023772}, author = {Baghel, Vikesh Singh and Kumar, Rajnish and Roy, Sudip} } @article { ISI:000320042800001, title = {Host plant selection by larvae of the muga silk moth, antheraea assamensis, and the role of the antenna and maxillary palp}, journal = {Journal of Insect Science}, volume = {13}, year = {2013}, month = {JUN}, pages = {52}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {

The importance of olfactory senses in food preference in fifth instar larvae of Antheraea assamensis Helfer (Lepidoptera: Saturniidae) was examined by subjecting larvae with only antennae or maxillary palpi after microsurgery to food and odor choice tests. Mean percent consumption, total consumption, and choice indices were used as parameters for drawing conclusions. The foods used were two hosts, two non-hosts, and a neutral medium (water). Both antennae and maxillary palpi were fully competent in preference for host plants, Persea bombycina Kostermans (Laurales: Lauraceae) and Litsea polyantha Juss, over the non-hosts, Litsea grandifolia Teschner and Ziziphus jujuba Miller (Rosales: Rhamnaceae). Both were competent in rejecting the non-hosts, L. grandifolia and Z. jujuba. The odor choice test was carried out using a Y-tube olfactometer and showed similar results to the ingestive tests. The results indicate the necessity of functional integration of a combination of olfactory and gustatory sensilla present in different peripheral organs in food acceptance by A. assamensis larvae.

}, keywords = {food choice, maxillae, Y-tube olfactometer}, issn = {1536-2442}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article { ISI:000317352000009, title = {Hydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane}, journal = {Journal of Chemical Thermodynamics}, volume = {61}, year = {2013}, month = {JUN}, pages = {58-63}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Hydrate phase equilibrium of the ternary guest mixtures containing carbon dioxide, hydrogen and propane at two different compositions were determined. Addition of mole composition of 2.5\% propane to the fuel gas (CO2 (40\%)/H-2 (60\%)) mixture reduces the hydrate formation conditions by 66\% at the temperature of 278.4 K. A Clausius-Clapeyron plot for the experimental results was plotted and from the slope, the enthalpy of hydrate dissociation was calculated. The enthalpy of dissociation of the mixed hydrate formed from a ternary gas mixture containing mole composition 38.1\% CO2, 59.4\% H-2 and 2.5\% C3H8 was found to be 110 kJ.mol(-1) and hence it was concluded that the mixed hydrate formed structure II (sII) hydrates. Whereas for the ternary gas mixture containing mole composition 80.0\% CO2, 18.8\% H-2, and 1.2\% C3H8, the enthalpy of dissociation of the mixed hydrate was found to be 78 kJ.mol(-1) and hence we believe the mixed hydrate formed structure I (sI) hydrate. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Gas hydrates, Global warming, Phase equilibrium, Pre-combustion, Thermodynamics}, issn = {0021-9614}, doi = {10.1016/j.jct.2013.02.003}, author = {Babu, Ponnivalavan and Yang, Ting and Veluswamy, Hari Prakash and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000328437200053, title = {Hydrolytic conversion of a metal-organic polyhedron into a metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {51}, year = {2013}, month = {DEC}, pages = {13755-13759}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {cage compounds, crystal engineering, hydrophobic effect, metal-organic frameworks, Self-assembly}, issn = {1433-7851}, doi = {10.1002/anie.201307486}, author = {Mallick, Arijit and Garai, Bikash and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000318939700024, title = {Hydroxyapatite supported palladium catalysts for suzuki-miyaura cross-coupling reaction in aqueous medium}, journal = {Catalysis Science \& Technology}, volume = {3}, number = {6}, year = {2013}, month = {MAR}, pages = {1625-1633}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Supported palladium catalyst 1 has been prepared by the immobilisation of [Pd(COD)Cl-2] (COD = 1,5-cyclooctadiene) on hydroxyapatite. Catalyst 2 has been prepared by subsequent reduction of catalyst 1 with sodium borohydride in ethanol. Under similar reaction conditions, catalyst 1 with Pd2+, is found to be almost five times more active than 2. Using 1 as the catalyst and water as the solvent, reaction conditions for Suzuki-Miyaura cross-coupling reactions have been optimised under aerobic conditions. The best catalytic activities are observed in the presence of potassium carbonate as the base and tetrabutylammonium bromide as a promoter. Catalyst 1 has been tested for catalytic cross-coupling reactions with sixteen different, electronically neutral, electron rich, electron poor and sterically hindered aryl boronic acids, and several different aryl halides including aryl chlorides. More than thousand turnovers and high selectivities to the hetero-coupled products have been observed in most cases. For many substrates the turnovers with 1 are notably more than what has been reported with other supported catalysts in water. The recyclability and scale-up potential of catalyst 1 have been tested and found to be satisfactory. A negligible drop in activity is observed over ten recycles with an accumulated turnover number of similar to 30000.

}, issn = {2044-4753}, doi = {10.1039/c3cy00160a}, author = {Indra, Arindam and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article {42574, title = {Imprinted electrodes for enhanced light trapping in solution processed solar cells}, journal = {Advanced Materials}, volume = {26}, year = {2013}, month = {OCT}, pages = {443{\textendash}448}, doi = {10.1002/adma.201303674}, author = {Mihi, Agustin and Beck, Fiona J. and Lasanta, Tania and Rath, Arup Kumar and Konstantatos, Gerasimos} } @article {42776, title = {Improvement of regenerative rankine cycle using absorption heat boosters}, journal = {International Journal of Exergy}, volume = {12}, year = {2013}, month = {SEP}, pages = {298-322}, doi = {10.1504/IJEX.2013.054115}, author = {Mali, Nilesh A. and Mudadi, Rohit H. and Bhagwat, Sunil S.} } @article { ISI:000321864300019, title = {In situ growth of metal-organic frameworks on a porous ultrafiltration membrane for gas separation}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {31}, year = {2013}, month = {MAY}, pages = {8828-8835}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We demonstrate the synthesis of CuBTC and ZIF-8 on a polysulfone based porous asymmetric ultrafiltration (UF) membrane by in situ growth followed by the LBL deposition of crystals without any need for preseeding or surface modification of the membrane. In this way, the top surface of the UF membrane pores is completely covered by MOFs; while the remaining part of the membrane offers a flexible support to the MOFs. The pore apertures of the MOF nanoparticles located at the pore opening of the UF membrane act as channels for the entry of penetrants. The remaining porous sublayer of the membrane carries penetrants on the permeate side without significant resistance. These composite membranes were characterized by PXRD and SEM. The gas permeation study was performed using pure gases of industrial significance (H-2, C3H6 and CO2). The performance of CuBTC@PSF showed enhanced selectivity, of 7.2 and 5.7 for H-2/CO2 and H-2/C3H6 respectively, to that of the pristine PSF membrane.

}, issn = {2050-7488}, doi = {10.1039/c3ta10438a}, author = {Nagaraju, Divya and Bhagat, Deepti G. and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000325272100040, title = {Influence of properties of SAPO{\textquoteright}s on the one-pot conversion of mono-, di- and poly-saccharides into 5-hydroxymethylfurfural}, journal = {RSC Advances}, volume = {3}, number = {38}, year = {2013}, month = {JUL}, pages = {17156-17165}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis of 5-hydroxymethylfurfural (5-HMF) from biomass derived mono-and poly-saccharides is gaining importance because of its usefulness in the preparation of important chemicals. In our work, we have synthesized several silicoaluminophosphate (SAPO) catalysts, and have shown that in the absence of any other pH modifying reagents, those are active in converting mono-and poly-saccharides into 5-HMF under biphasic reaction condition at 175 degrees C. Particularly, SAPO-44 catalyst showed the best activity in the conversion of fructose to yield 78\% 5-HMF with 88\% selectivity. On the contrary, all other catalysts showed lower yields (H-MOR: 63\%, SAPO-5: 32\%, 2DCT: 60\%). Over SAPO-44, good yields for 5-HMF were observed when glucose (67\%), maltose (57\%), cellobiose (56\%) and starch (68\%) were used as substrates. Recycle study carried out with SAPO-44 catalyst in the fructose conversion reaction showed marginal decrease in the activity up to 3rd run and then afterwards constant activity was observed up to 5th run (1st: 78\%, 2nd: 71\%, 3rd: 66\%, 4th: 65\%, 5th: 65\%). Catalyst characterizations revealed that SAPO catalysts have higher hydrophilic nature than H-MOR (Si/Al = 10) and hence it is postulated that this property may help in achieving better results. Further studies on the catalyst characterizations revealed that SAPO-44 undergoes modifications in its structure. However, ICP-OES data suggests that Al and/or P are not leached out in the solution indicating that change in local environment around elements is possible. The influence of acid amount, type of acid site etc. on the catalytic activity is discussed and found out that strong acid sites are required to boost the 5-HMF yields.

}, issn = {2046-2069}, doi = {10.1039/c3ra43197e}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000314177300008, title = {Influence of the sophorolipid molecular geometry on their self-assembled structures}, journal = {Chemistry-an Asian Journal}, volume = {8}, number = {2}, year = {2013}, month = {FEB}, pages = {369-372}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {bolaamphiphiles, helical structures, p-p stacking, Self-assembly, sophorolipids}, issn = {1861-4728}, doi = {10.1002/asia.201200935}, author = {Dhasaiyan, Prabhu and Banerjee, Agnimitra and Visaveliya, Nikunjkumar and Bhagavatula L. V. Prasad} } @article { ISI:000324758700022, title = {Interfacial charge recombination of Os(II)-polypyridyl-resorcinol complex on oleic acid capped TiO2 surface: what determines the dynamics?}, journal = {New Journal of Chemistry}, volume = {37}, number = {10}, year = {2013}, month = {JUL}, pages = {3100-3108}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Femtosecond transient absorption spectroscopic studies of an osmium(II)-polypyridyl-resorcinol complex, 1, on oleic acid capped TiO2 have been carried out and the results have been compared with our previous studies on poly(vinyl) alcohol capped TiO2. While on both these surfaces the complex exhibits a single exponential \<120 fs injection, the back electron transfer reaction is slower on the oleic acid capped TiO2 surface early on while it is faster on the same surface at longer times than on poly(vinyl)alcohol capped TiO2. The probable origin of these disparate observations has been analyzed.

}, issn = {1144-0546}, doi = {10.1039/c3nj00550j}, author = {Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000325780800062, title = {Interplay between crystallization and glass transition in binary lennard-Jones mixtures (vol 139, 104501, 2013)}, journal = {Journal of Chemical Physics}, volume = {139}, number = {14}, year = {2013}, month = {OCT}, pages = {Article No. 149902}, 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 = {10.1063/1.4824740}, author = {Banerjee, Atreyee and Chakraborty, Suman and Bhattacharyya, Sarika Maitra} } @article { ISI:000324387400035, title = {Interplay between crystallization and glass transition in binary Lennard-Jones mixtures}, journal = {Journal of Chemical Physics}, volume = {139}, number = {10}, year = {2013}, month = {SEP}, pages = {Article No. 104501}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the composition. We find that only those systems which form bcc crystal in the equimolar mixture and whose global structure for larger x(A) (x(A) = 0.6, where x(A) is the mole fraction of the bigger particles) is a mixed fcc + bcc phase, do not crystallize at this higher composition. However, the systems whose equimolar structure is a variant of fcc (NaCl type crystal) and whose global structure at larger xA is a mixed NaCl + fcc phase, crystallize easily to this mixed structure. We find that the stability against crystallization of this {\textquoteleft}{\textquoteleft}bcc zone{\textquoteright}{\textquoteright} is due to the frustration between the locally preferred structure (LPS) and the mixed bcc + fcc crystal. Our study suggests that when the global structure is a mixed crystal where a single species contributes to both the crystal forms and where the two crystal forms have large difference in some order parameter related to that species then this induces frustration between the LPS and the global structure. This frustration makes the systems good glass former. When x(A) is further increased (0.70 \<= x(A) \< 0.90) the systems show a tendency towards mixed fcc crystal formation. However, the {\textquoteleft}{\textquoteleft}bcc zone{\textquoteright}{\textquoteright} even for this higher composition is found to be sitting at the bottom of a V shaped phase diagram formed by two different variants of the fcc crystal structure, leading to its stability against crystallization. (C) 2013 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4820402}, author = {Banerjee, Atreyee and Chakrabarty, Suman and Bhattacharyya, Sarika Maitra} } @article { ISI:000319680800041, title = {Isolation, characterization, and identification of catalytically active species in the MoO3/SiO2 catalyst during solid acid catalyzed reactions}, journal = {Chemcatchem}, volume = {5}, number = {6}, year = {2013}, month = {JUN}, pages = {1531-1537}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report the isolation, characterization, and identification of the catalytically active species formed during various acid-catalyzed reactions if silica-supported MoO3 was used as a catalyst. We have reported previously the synthesis and extensive characterization of the silica-supported MoO3 catalyst prepared by the sol-gel process with ammonium heptamolybdate and ethyl silicate-40 as molybdenum and silica precursors, respectively. The TEM images showed uniformly distributed MoO3 nanoparticles on the high-surface area mesoporous silica support and high acidity (0.9mmolg-1) by using temperature-programmed desorption of ammonia (NH3-TPD) analysis. This catalyst has already shown high activity for various acid-catalyzed reactions. To understand the nature of catalytically active species formed during the reaction, the liquid-phase esterification of acetic acid and ethanol was studied as a probe reaction with very high acid conversion (83\%) in 8h. During esterification, the reaction mixture turned blue, which indicated a change in the nature of the catalyst under reaction conditions. These catalytically active species formed in the reaction mixture were isolated and extensively characterized by using FTIR, Raman, powder XRD, BET surface area, NH3-TPD, energy dispersive X-ray, and TEM analysis. The characterization results revealed the insitu formation of silicomolybdic acid on the silica surface in the presence of water, which acts as catalytically active species responsible for the acid-catalyzed reactions.

}, keywords = {esterification reactions, heterogeneous catalysis, Molybdenum, silicon, sol-gel processes}, issn = {1867-3880}, doi = {10.1002/cctc.201200662}, author = {Kotbagi, Trupti V. and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000320005100018, title = {Mapping ion-induced mesophasic transformation in lyotropic in situ gelling system and its correlation with pharmaceutical performance}, journal = {Pharmaceutical Research}, volume = {30}, number = {7}, year = {2013}, month = {JUL}, pages = {1906-1914}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

To investigate influence of ion induced mesophasic transformation on pharmaceutical performance of in situ gelling system consisting of glyceryl monooleate. The prepared system showed mesophasic transformation during its conversion from sol to gel upon controlled hydration. The process of mesophasic transformation was studied by SAXS, DSC, rheology and plane polarized light microscopy. Further the influence of additives i.e. naproxen salts (sodium and potassium) and naproxen (base) on the process of mesophasic transformation was also elucidated. It was observed that addition of salt form of naproxen transformed W/O emulsions into cubic mesophase whereas addition of base form of naproxen formed reverse hexagonal (H-II) phase upon controlled hydration. The cubic mesophase formed by naproxen salts retarded the drug release for initial 3 h whereas H-II phase showed sustained drug release characteristics for naproxen base following Higuchi drug release kinetics. The current work suggests that formulations with tailor made pharmaceutical performance can be developed by selecting proper additives in the system so as to obtain the desired mesophase {\textquoteleft}on demand{\textquoteright} thereby controlling drug release characteristics.

}, keywords = {cubic phase, hexagonal phase, liquid crystal, mesophasic transformation, sustained drug release}, issn = {0724-8741}, doi = {10.1007/s11095-013-1033-4}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article { ISI:000317548400026, title = {Mechanochemical synthesis of chemically stable isoreticular covalent organic frameworks}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {14}, year = {2013}, month = {APR}, pages = {5328-5331}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Three thermally and chemically stable isoreticular covalent organic frameworks (COFs) were synthesized via room-temperature solvent-free mechanochemical grinding. These COFs were successfully compared with their solvothermally synthesized counterparts in all aspects. These solvent-free mechanochemically synthesized COFs have moderate crystallinity with remarkable stability in boiling water, acid (9 N HCl), and base [TpBD (MC) in 3 N NaOH and TpPa-2 (MC) in 9 N NaOH]. Exfoliation of COF layers was simultaneously observed with COF formation during mechanochemical synthesis. The structures thus obtained seemed to have a graphene-like layered morphology (exfoliated layers), unlike the parent COFs synthesized solvothermally.

}, issn = {0002-7863}, doi = {10.1021/ja4017842}, author = {Biswal, Bishnu P. and Chandra, Suman and Kandambeth, Sharath and Lukose, Binit and Heine, Thomas and Banerjeet, Rahul} } @article { ISI:000324153700020, title = {Medium pressure hydrate based gas separation (HBGS) process for pre-combustion capture of carbon dioxide employing a novel fixed bed reactor}, journal = {International Journal of Greenhouse Gas Control}, volume = {17}, year = {2013}, month = {SEP}, pages = {206-214}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

This work presents an effective medium pressure hydrate based gas separation (HBGS) process for pre-combustion carbon dioxide capture in a novel fixed bed column. 2.5 mol\% propane was added to the fuel gas mixture as an additive to decrease the operating pressure of the HBGS process. Hydrate formation kinetics was investigated at three different pressures (4.5, 5.5 and 6.0 MPa respectively) and at 274.15 K. The performance of silica sand and silica gel as a medium was evaluated. In silica sand bed, multiple nucleation events were observed. In silica gel bed, the gas uptake and water conversion to hydrates was significantly low at any given driving force than that obtained in silica sand bed. Experiments at different water saturation levels (50, 75 and 100\%) in silica sand bed were investigated at 6.0 MPa and 274.15 K. It was found that at 50\% water saturation, gas consumed for hydrate formation and water conversion to hydrates was almost three times that at 100\% saturation. Water to hydrate conversions of up to 64.3\% was achieved after 4 h of hydrate formation for the 50\% water saturated silica sand bed. Our study presents an opportunity to scale up the HBGS process for CO2 capture with enhanced kinetics by employing a fixed bed reactor configuration. Decomposition experiments at a driving force of Delta T of 10 K and 23K were carried out to recover the gas consumed for hydrate formation and it was found that Delta T of 23 K was sufficient to recover the hydrated gas. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Gas hydrates, Global warming, Pre-combustion, Separation}, issn = {1750-5836}, doi = {10.1016/j.ijggc.2013.05.010}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000314973700004, title = {Microbial oxidation of medium chain fatty alcohol in the synthesis of sophorolipids by candida bombicola and its physicochemical characterization}, journal = {Journal of Surfactants and Detergents}, volume = {16}, number = {2}, year = {2013}, month = {MAR}, pages = {173-181}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Sophorolipids (SL) are glycolipid biosurfactants abundantly produced from different feedstocks by yeasts and have been widely developed for various applications. The amphipathic structures of sophorolipids imparts to them surfactant type properties. These biosurfactants are readily isolated in high yield and are nontoxic and biodegradable, which make them industrially interesting as surfactants or emulsifiers. Sophorolipid production was carried out using glucose as a hydrophilic source and lauryl alcohol C12-14, as a hydrophobic source by Candida bombicola (ATCC 22214). Process economics and environmental attractiveness was increased by using a low cost substrate. Optimization studies were carried out where the effect of glucose concentration, pH, temperature and metal ions on sophorolipid production was studied. Optimum production of sophorolipid obtained using lauryl alcohol (SLLA) was achieved after 96 h, the initial pH of the medium was 6.0 with 10 \% glucose at 30 A degrees C. Primary characterization of SLLA was done by FTIR. The SLLA showed high physicochemical properties in terms of the surface activities when compared with synthetic surfactants including dodecyl tetraethylene glycol ether and sodium lauryl sulfate. The surface tension of SLLA thus obtained was found to be 24 mN/m with a critical micellar concentration (CMC) value of 0.68 mg/L. Antimicrobial testing showed that SLLA have potent antimicrobial activity against both gram negative bacteria, Escherichia coli (ATCC 8739) and gram positive cocci, Staphylococcus aureuss (ATCC 2079).

}, keywords = {Biosurfactants, Candida bombicola, CMC, Lauryl alcohol C12-14, sophorolipids, Surface tension}, issn = {1097-3958}, doi = {10.1007/s11743-012-1378-4}, author = {Pulate, Vrushali Dengle and Bhagwat, Sunil S. and Prabhune, Asmita Ashutosh} } @article { ISI:000330159500007, title = {Molecular interactions, proton exchange, and photoinduced processes prompted by an inclusion process and a [2]pseudorotaxane formation}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {18}, year = {2013}, month = {AUG}, pages = {9004-9012}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Appropriate design of the host and guest components allows formation of a novel [2]pseudorotaxane complex with an interrupted photoinduced electron transfer (PET)-coupled fluorescence resonance energy transfer (FRET) response. This is the first example of an inclusion complex with NO6-based azacrown ether as the host unit (H). Different guest molecules (G1, G2, G3, and G4) with varying stopper size are used for the studies. Unlike G1, G2, and G3, G4 with a relatively bulkier stopper fails to form a [2]pseudorotaxane complex. Isothermal titration microcaloiimetry measurements reveal a systematic increase in the association constant for H.G1, H.G2, and H.G3 with a change in the stopper size. Thermodynamic data suggest that the formation of H.G1/H.G2/H.G3 is exclusively driven by a large positive entropic gain (T Delta S = 19.69/26.80/21.81 kJ.mol(-1)), while the enthalpy change is slightly negative for H.G1/H.G3 (-2.61/-1.97 kJ.mol(-1)) and slightly positive for H.G2 (Delta H = 5.98 kJ.mol(-1)). For these three inclusion complexes, an interrupted PET-coupled FRET response is observed with varying efficiency, which is attributed to the subtle differences in acidity of the NH2+ unit of the guest molecules and thus the proton exchange ability between the host and respective guest. This is substantiated by the results of the computational studies.

}, issn = {0022-3263}, doi = {10.1021/jo400752d}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Kesharwani, Manoj K. and Gangopadhyay, Monalisa and Agrawal, Manoj and Boricha, Vinod P. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000315516400021, title = {Molecular mapping of leaf rust resistance gene Lr15 in hexaploid wheat}, journal = {Molecular Breeding}, volume = {31}, number = {3}, year = {2013}, month = {MAR}, pages = {743-747}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Leaf rust is a widespread and commonly occurring rust disease of wheat. Genetic resistance is the most economical method of reducing losses due to leaf rust. Lr15 has been shown to be present on wheat chromosome 2D and is reported to be a seedling resistance gene. However, tightly linked markers associated with Lr15 have not been reported to date. To identify molecular markers linked to Lr15, an F-2 mapping population of Thatcher x Thatcher-Lr15 was generated. Available wheat simple sequence repeat markers were utilized in parental screening and polymorphic markers were used to analyze the entire population of 221 plants. Phenotypic evaluations of the F-2-derived F-3 progenies with Puccinia triticina Eriks. pathotype 162A (93R15) confirmed the monogenic inheritance of Lr15. The linkage group representing chromosome 2DS was constructed at LOD 4.0 which revealed the closest flanking markers Xgwm4562 and Xgwm102 at a distance of 3.1 and 9.3 cM, respectively. Furthermore, utilization of these flanking markers in combination has successfully identified wheat lines with or without Lr15. These markers could potentially be useful in gene pyramiding with other genes to enhance rust resistance in wheat.

}, keywords = {Disease resistance, Leaf rust, Marker-assisted selection, Simple sequence repeat, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9813-9}, author = {Dholakia, Bhushan B. and Rajwade, A. V. and Hosmani, P. and Khan, R. R. and Chavan, S. and Reddy, D. M. R. and Lagu, Meena D. and Bansal, Urmil K. and Saini, R. G. and Gupta, V. S.} } @article { ISI:000319720700012, title = {Molecular-beacon-based screen for small molecule inhibitors of miRNA maturation}, journal = {ACS Chemical Biology}, volume = {8}, number = {5}, year = {2013}, month = {MAY}, pages = {930-938}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

miRNAs are small non-coding RNAs that regulate about 60\% of mammalian genes by modulating their transcript levels. Network scale studies of miRNA-mediated regulatory circuits demonstrate the central importance of this class of small RNA in the maintenance of biological robustness. More recently, several reports have described the deregulation of numerous miRNA to be causally associated with many diseases, including cancer. These studies have highlighted the potential for development of therapeutic modalities against miRNA. Previous screening protocols, for small molecules targeting miRNA function, are either costly or technically too complex to be applied in a high-throughput manner in standard chemical laboratories. We describe a simple in vitro screening method using a DNA-based molecular beacon that overcomes the limitations associated with earlier screens. We used this method to identify inhibitors of miR-27a function from a library of 14 aminoglycosides as a pilot study. Inhibitory molecules identified were further scrutinized to identify the validity of screen. With this proof of concept we illustrate the utility of a scalable molecular-beacon-based screening strategy for miRNA inhibitors.

}, issn = {1554-8929}, doi = {10.1021/cb300650y}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Kumar, Santosh and Maiti, Souvik} } @article { ISI:000318468400029, title = {Morphology of carbon dioxide-hydrogen-cyclopentane hydrates with or without sodium dodecyl sulfate}, journal = {Crystal Growth \& Design}, volume = {13}, number = {5}, year = {2013}, month = {MAY}, pages = {2047-2059}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, effects of cyclopentane (CP) and sodium dodecyl sulfate (SDS) on the hydrate formation morphology were investigated. A gas mixture of 40.0 mol \% carbon dioxide and 60.0 mol \% hydrogen was used in an unstirred system with subcooling as the driving force. Experimental pressure is at 6.0 MPa and experimental temperatures used are at 275.65 and 277.65 K (Delta T = 15.15 and 13.15 K). Formation of hydrates started at the cyclopentane-liquid water interface. Cloud-like, equiaxed skewed dendritic, equiaxed orthogonal dendritic, long dendritic, and cactus-like crystals could be observed for the experiments in the absence of surfactants. Rapid hydrate formation was observed for the experiments with 0.9 mL CP with or without the presence of surfactants compared to the experiments with 0.45 mL CP system at the same experimental conditions. The addition of SDS had led to a change in the hydrate crystal morphology, forming fiber-like crystals from the hydrate layer. Hydrates had also shown affinity to metal surfaces and tend to grow rapidly because of better heat transfer capacity. Gas uptake measurements were found to correlate well with the morphological observations. On the basis of the morphological observations, the mechanism of the CO2-H-2-CP system in an unstirred system is presented.

}, issn = {1528-7483}, doi = {10.1021/cg400118p}, author = {Lim, Yu-An and Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000329153300077, title = {Morphology, polymorphism, and metal ion adsorption studies of electrospun nanofibers based on pvdf and organically modified layered double hydroxide}, journal = {Journal of Applied Polymer Science}, volume = {130}, number = {6}, year = {2013}, month = {DEC}, pages = {4508-4515}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Nonwoven nanofiber mats of polyvinylidene fluoride (PVDF) with modified layered double hydroxide (MLDH) were prepared by electrospinning. The fiber morphology was studied using scanning electron microscopy. X-ray diffraction and FTIR spectroscopy was used to characterize the polymorphism in electrospun mats. Fibers of diameter in the range 80-800 nm with beads of about 2-3 mu m size were observed for pure PVDF, while in case of PVDF/MLDH nanocomposites the number and size of beads were found to be significantly reduced. Uniform and fine nanofibers were obtained at lower content of MLDH, but slightly rough surface was seen for higher content. FTIR and X-ray diffraction patterns signify various crystalline forms of electrospun PVDF. The content of polar -crystalline phase of PVDF, which exhibit piezo and ferroelectric properties was found to be enhanced significantly due to reinforcement of MLDH. Use of these nanofiber mats for heavy metal Cu (II) removal was explored. (c) 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 4508-4515, 2013

}, keywords = {Adsorption, electrospinning, fibers}, issn = {0021-8995}, doi = {10.1002/app.39729}, author = {Birajdar, Mallinath S. and Wanjale, Santosh D. and Lonkar, Sunil P.} } @article { ISI:000328864800088, title = {Multicomponent reactions involving arynes, quinolines, and aldehydes}, journal = {Organic Letters}, volume = {15}, number = {17}, year = {2013}, month = {SEP}, pages = {4620-4623}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The multicomponent reaction involving arynes, quinolines, and aldehydes leading to the diastereoselective synthesis of benzoxazino quinoline derivatives in good yields proceeding via 1,4-zwitterionic intermediates is reported. In addition, the synthetic potential of various carbonyl compounds in this reaction as well as the utility of isoquinoline as the nucleophilic trigger has been examined.

}, issn = {1523-7060}, doi = {10.1021/ol4023134}, author = {Bhunia, Anup and Porwal, Digvijay and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000325552900018, title = {New chemodosimetric probe for the specific detection of Hg2+ in physiological condition and its utilisation for cell imaging studies}, journal = {Dalton Transactions}, volume = {42}, number = {42}, year = {2013}, month = {JUL}, pages = {15097-15105}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A dithiane derivative of BODIPY is synthesized. This new reagent could be used for the specific and instantaneous detection of Hg2+ in physiological condition. This dithiane reagent reacts specifically with Hg2+ to regenerate the parent BODIPY-aldehyde with consequential change in visually detectable optical responses and this provides the possibility of using this reagent as a colorimetric probe or as a fluorescent biomarker/imaging reagent. Further, non-covalent interactions could be utilized for formation of an inclusion complex with biologically benign beta-cyclodextrin for enhancing its solubility in aqueous environment and this included adduct could be used as a fluorescent marker and imaging reagent for Hg2+. Uptake of Hg2+ ions in live HeLa cells, exposed to a solution having Hg2+ ion concentration as low as 2 ppb, could also be detected by confocal laser microscopic studies.

}, issn = {1477-9226}, doi = {10.1039/c3dt51744f}, author = {Saha, Sukdeb and Agarwalla, Hridesh and Gupta, Hariom and Baidya, Mithu and Suresh, E. and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000327360600071, title = {New porous material to enhance the kinetics of clathrate process: application to precombustion carbon dioxide capture}, journal = {Environmental Science \& Technology}, volume = {47}, number = {22}, year = {2013}, month = {NOV}, pages = {13191-13198}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

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

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

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

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

}, issn = {1523-7060}, doi = {10.1021/ol400562z}, author = {Bhunia, Anup and Patra, Atanu and Puranik, Vedavati G. and Biju, Akkattu T.} } @article { ISI:000327481200002, title = {Noble metal promoted CeO2-ZrO2-supported ni catalysts for liquid-phase hydrogenation of cinnamaldehyde}, journal = {Catalysis Letters}, volume = {143}, number = {12}, year = {2013}, month = {DEC}, pages = {1266-1276}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Pd or Pt promoted CeO2-ZrO2-supported Ni catalysts exhibited superior catalytic activity to the hitherto known Ni catalysts for liquid-phase hydrogenation of cinnamaldehyde at moderate conditions. Under similar experimental conditions, the unpromoted catalyst was selective for hydrocinnamaldehyde product (C=C hydrogenation) whereas the promoted catalyst yielded 3-phenyl propanol (C=C and C=O hydrogenation product). Enhanced dispersion of Ni was the cause for higher activity of the promoted Ni catalysts.

}, keywords = {Ceria-zirconia, Cinnamaldehyde, Noble metal promoted catalyst, Selective hydrogenation, Supported Ni catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-013-1064-9}, author = {Bhogeswararao, Seemala and Kumar, V. Pavan and Chary, K. V. R. and Srinivas, D.} } @article { ISI:000316969500085, title = {Non-monotonic size dependence of diffusion and levitation effect: a mode-coupling theory analysis}, journal = {Journal of Chemical Physics}, volume = {138}, number = {12}, year = {2013}, month = {MAR}, pages = {124505}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We present a study of diffusion of small tagged particles in a solvent, using mode coupling theory (MCT) analysis and computer simulations. The study is carried out for various interaction potentials. For the first time, using MCT, it is shown that only for strongly attractive interaction potential with allowing interpenetration between the solute-solvent pair the diffusion exhibits a non-monotonic solute size dependence which has earlier been reported in simulation studies [P. K. Ghorai and S. Yashonath, J. Phys. Chem. B 109, 5824-5835 (2005)]. For weak attractive and repulsive potential the solute size dependence of diffusion shows monotonic behaviour. It is also found that for systems where the interaction potential does not allow solute-solvent interpenetration, the solute cannot explore the neck of the solvent cage. Thus these systems even with strong attractive interaction will never show any non-monotonic size dependence of diffusion. This non-monotonic size dependence of diffusion has earlier been connected to levitation effect [S. Yashonath and P. Santikary, J. Phys. Chem. 98, 6368 (1994)]. We also show that although levitation is a dynamic phenomena, the effect of levitation can be obtained in the static radial distribution function. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4796232]

}, issn = {0021-9606}, doi = {10.1063/1.4796232}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Bhattacharyya, Sarika Maitra} } @article { ISI:000315818200024, title = {One pot room temperature synthesis of robust gold nanochains}, journal = {RSC Advances}, volume = {3}, number = {13}, year = {2013}, month = {JAN}, pages = {4261-4270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a room temperature reduction and stabilization of gold nanoparticles (AuNPs) from auric chloride in the presence of 1.5 and 3 mM linear poly(amidoamine) (PAmAm), which leads to 1D assembly of AuNPs. At higher concentrations, isolated AuNPs are formed. Detailed investigations show that the morphology is governed primarily by pH rather than concentration. This is the first report to demonstrate the stability of nanochains against pH switching. The nanochains are robust as revealed by stability at higher temperature, salt concentration, thiol exchange, and would be useful in developing electronic devices for biological applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra22803g}, author = {Biradar, Satish C. and Kulkarni, Mohan G.} } @article { ISI:000314381700030, title = {One-pot synthesis of gold nanoparticle/molybdenum cluster/graphene oxide nanocomposite and its photocatalytic activity}, journal = {Applied Catalysis B-Environmental}, volume = {130}, year = {2013}, month = {FEB}, pages = {270-276}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports on a facile one-pot synthesis of a tri-component gold nanoparticle/molybdenum cluster/graphene oxide (AuNPs@Mo-GO) nanohybrid composite. The synthetic methodology consists on direct UV irradiation of an aqueous solution containing graphene oxide (GO), Na-2[Mo6Br8(N-3)(6)], HAuCl4 center dot 3H(2)O and isopropanol at room temperature in air using a UV fiber lamp. The composite material exhibits very high photocatalytic activity for the degradation of rhodamine B under visible light irradation. The resulting nanohybrid material was characterized using Raman spectroscopy, UV-vis spectrometry, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {gold nanoparticles, graphene oxide, Nanohybrid, Photodegradation, Rhodamine B, visible light, [Mo6Br8(N-3)(6)](2-)cluster}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2012.11.017}, author = {Barras, Alexandre and Das, Manash R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Cordier, Stephane and Szunerits, Sabine and Boukherroub, Rabah} } @article { ISI:000315540200007, title = {One-step method for the synthesis of aryl olefins from aryl aldehydes and aliphatic aldehydes}, journal = {Tetrahedron Letters}, volume = {54}, number = {12}, year = {2013}, month = {MAR}, pages = {1528-1530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A conceptually new one-step reaction affording unexpected aryl olefinic product from aromatic aldehyde, aliphatic aldehyde and malononitrile in the presence of acetic acid-ammonium acetate under mild reaction conditions without using any metal catalyst is reported. This novel reaction was used to prepare a number of substituted aryl olefins including new molecules. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Aliphatic aldehyde, Aromatic aldehyde, Aryl olefin, Dicyanoaniline, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.008}, author = {Borate, Hanumant B. and Gaikwad, Supriya H. and Kudale, Ananada S. and Chavan, Subhash P. and Pharande, Shrikant G. and Wagh, Vitthal D. and Sawant, Vikram S.} } @article { ISI:000312999200020, title = {Optimization of the production of a maltooligosaccharides producing amylase from the alkalophilic streptomyces lonarensis strain NCL 716 using SVR modeling}, journal = {Starch-Starke}, volume = {65}, number = {1-2}, year = {2013}, month = {JAN}, pages = {179-185}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The Streptomyces lonarensis strain NCL 716 hydrolyses starch to produce a mixture of maltotriose (G3) and maltotetraose (G4) along with maltose (G2). The objective of the present work was to determine an optimum cost effective media composition for the production of a-amylase from this strain. The most influential factor was found to be starch while the least influential factor found was peptone by PlackettBurman method. Peptone amount was kept constant throughout the fermentation. Peptone, which is one of the expensive media components was used at a concentration of 1?g/L, which made the optimum media composition cost effective. A support vector regression-based process model was developed for approximating the non-linear relationship between the fermentation operating variables and the a-amylase yield. Multicanonical Jump Walk Annealing, a stochastic optimization technique is used to obtain optimal operating variables to maximize amylase yield. The maximum amylase activity thus obtained was in good agreement with the experimental values at the optimized levels. The optimum media composition obtained by this method was: yeast extract: 4.53?g/L, starch: 20.246?g/L, K2HPO4: 0.0827\%, MgSO4: 0.15\%, peptone: 1?g/L. A maximum enzyme activity of 297?U/mL, which was achieved using the above approaches compares well with the activity of reported amylases producing maltooligosaccharides.

}, keywords = {Alkaline a-amylase, Optimization, Streptomyces, Support vector regression analysis}, issn = {0038-9056}, doi = {10.1002/star.201200094}, author = {Sharma, Trupti K. and Bhadane, Vaibhav A. and Kumar, Lalitha S. and Rele, Meenakshi V. and Bhawar, Gajanan and Rahman, Imran} } @article { ISI:000315968900025, title = {Organophotocatalysis in nanostructured soft gel materials as tunable reaction vessels: comparison with homogeneous and micellar solutions}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {14}, year = {2013}, month = {FEB}, pages = {4577-4588}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Riboflavin tetraacetate-catalyzed aerobic photooxidation of 1-(4-methoxyphenyl)ethanol was investigated as a model reaction under blue visible light in different soft gel materials, aiming to establish their potential as reaction vessels for photochemical transformations. Three strategies involving different degrees of organization of the catalyst within the gel network were explored, and the results compared to those obtained in homogeneous and micellar solutions. In general, physical entrapment of both the catalyst and the substrate under optimized concentrations into several hydrogel matrices (including low-molecular-weight and biopolymer-based gels) allowed the photooxidation with conversions between 55 and 100\% within 120 min (TOF similar to 0.045-0.08 min(-1); k(obs) similar to 0.011-0.028 min(-1)), albeit with first-order rates ca. 1-3-fold lower than in solution under comparable non-stirred conditions. Remarkably, the organogel made of a cyclohexane-based bisamide gelator in CH3CN not only prevented the photodegradation of the catalyst but also afforded full conversion in less than 60 min (TOF similar to 0.167 min(-1); k(obs) similar to 0.073 min(-1)) without the need of additional proton transfer mediators (e. g., thiourea) as it occurs in CH3CN solutions. In general, the gelators could be recycled without detriment to their gelation ability and reaction rates. Moreover, kinetics could be fine-tuned according to the characteristics of the gel media. For instance, entangled fibrillar networks with relatively high mechanical strength were usually associated with lower reaction rates, whereas wrinkled laminated morphologies seemed to favor the reaction. In addition, the kinetics results showed in most cases a good correlation with the aeration efficiency of the gel media.

}, issn = {2050-7488}, doi = {10.1039/c3ta01109g}, author = {Bachl, Jurgen and Hohenleutner, Andreas and Dhar, Basab Bijayi and Cativiela, Carlos and Maitra, Uday and Koenig, Burkhard and Diaz, David Diaz} } @article { ISI:000327920600003, title = {Phytase isozymes from aspergillus niger NCIM 563 under solid state fermentation: biochemical characterization and their correlation with submerged phytases}, journal = {Process Biochemistry}, volume = {48}, number = {11}, year = {2013}, month = {NOV}, pages = {1618-1625}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Aspergillus niger NCIM 563 produces dissimilar phytase isozymes under solid state and submerged fermentation conditions. Biochemical characterization and applications of phytase Phy III and Phy IV in SSF and their comparison with submerged fermentation Phy I and Phy III were studied. SSF phytases have a higher metabolic potential as compared to SmF. Phy I is tetramer and Phy II, III and IV are monomers. Phy I and IV have pH optima of 2.5 and Phy II and III have pH optima of 5.0 and 5.6, respectively. Phy I, III and IV exhibited very broad substrate specificity while Phy II was more specific for sodium phytate. SSF phytase is less thermostable as compared to SmF phytase. Phy land II show homology with other known phytases while Phy III and IV show no homology with SmF phytases and any other known phytases from the literature suggesting their unique nature. This is the first report about differences among phytase produced under SSF and SmF by A. niger and this study provides basis for explanation of the stability and catalytic differences observed for these enzymes. Exclusive biochemical characteristics and multilevel application of SSF native phytases determine their efficacy and is exceptional. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {A. niger, Isozymes, Phytase, Solid state fermentation, Submerged fermentation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2013.08.001}, author = {Bhavsar, Kavita P. and Buddhiwant, Priyanka and Soni, Sarvesh K. and Depan, Dilip and Sarkar, Sampa and Khire, Jayant Malhar} } @article {42702, title = {PNN-Ru pincer complexes based on phosphinated 2,2{\textquoteright}-dipyridinemethane- and 2,2{\textquoteright}-oxobispyridine. metal-ligand cooperation in cyclometallation and catalysis}, journal = {Organometallics}, volume = {32}, year = {2013}, month = {MAY}, pages = {2973{\textendash}2982}, abstract = {

The synthesis of novel PNN ruthenium pincer complexes based on 2,2'-dipyridinemethane phosphine derivatives, as well as on 2,2'-oxobispyridine phosphine ligands, and their reactivity toward dearomatization and cyclometalation are described. The dearomatized compounds 7a,b undergo cyclometalation to yield complexes 8a,b. In order for cyclometalation to proceed, the coordination sphere around the Ru center has to rearrange, and this depends on the flexibility of the system, showing that the cyclometalation is qualitatively faster in the case of the dimethyl derivative 7a than in the case of the spyrocyclopentyl derivative 7b. The cyclometalation occurs diastereoselectively and leads to only one diastereomer of the cyclometalated compounds. In the case of the 2,2'-oxobispyridine complex 6c, the dearomatized complex was too unstable to be isolated; however it was possible to isolate and characterize a stable dicarbonyl-dearomatized ruthenium(II) complex, 9c, when the deprotonation was performed under a CO atmosphere. Dearomatization of 6a under CO also led to dicarbonyl-dearomatized ruthenium(II) complex 9a, which slowly rearranged into the dicarbonyl-aromatized ruthenium(0) complex 10a. These complexes were tested in catalytic alcohol{\textendash}amine coupling, esterification of primary alcohols, and hydrogenation of secondary amides. Moderate activity was observed in hydrogenation of amides to alcohols and amines and low activity in the other transformations, owing mainly to the formation of stable cyclometalated compounds.

}, doi = {10.1021/om400194w}, author = {Barrios-Francisco, Rigoberto and Balaraman, Ekambaram and Diskin-Posner, Yael and Leitus, Gregory and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000316624600020, title = {POM-catalyzed in situ ligand synthesis for the construction of metal complexes and their use in the formation of coordination polymers}, journal = {Chemphyschem}, volume = {14}, number = {5}, year = {2013}, month = {APR}, pages = {1009-1015}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Six organicinorganic hybrid materials were synthesized by the in situ oxidation of neocuproine by using MoO3/Na2MoO4 as the catalyst in the presence of Cu(NO3)2. The crystal structures of Mo8-Cu4-PHEN and Mo8-Cu2-5(2PIC) are composed of [Mo8O26]4 polyoxometalate (POM) units, whereas the crystal structure of Mo6-Cu-COPHEN is composed of a [Mo6O19]2 POM unit; both POM units could be considered as the active form of the catalyst. Reaction of the hybrid materials with 1,3,5-benzenetricarboxylic acid (BTC) resulted in the formation of two different coordination polymers (CPs) under different reaction conditions. These CPs, depending on their structural attributes, exhibit distinct differences in the adsorption of H2, CO2, and water. The use of 2-methylpyridine instead of neocuproine does not give any oxidation products under the same reaction conditions due to the incorrect positioning of the methyl group with respect to the CuII center.

}, keywords = {coordination polymers, Copper, N ligands, organicinorganic hybrid composites, polyoxometalates}, issn = {1439-4235}, doi = {10.1002/cphc.201201019}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI:000326300200011, title = {Porous carbons from nonporous MOFs: influence of ligand characteristics on intrinsic properties of end carbon}, journal = {Crystal Growth \& Design}, volume = {13}, number = {10}, year = {2013}, month = {OCT}, pages = {4195-4199}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis of porous carbons on direct carbonization of nonporous Zn-based MOFs has been achieved without using any additional carbon precursor. The effect of ligand nature on the resulting carbon porosity has been studied systematically using the MOFs synthesized from rigid and flexible ligands. The linear relations between Zn/C ratio of the MOF versus surface area of the resulting carbon, micro-porosity versus H-2 uptake achieved in these carbons, and surface area versus specific capacitance of the end carbons have been verified from the gas adsorption, molecular composition, and electrochemical studies, respectively. Cyclic voltammetry and charge-discharge cycling have been carried out to study the capacitive behavior of the carbons. The interdependence of capacitive behavior on the surface area has been analyzed using data derived from N-2 adsorption isotherms and charge-discharge curves. Among the carbons synthesized, C-MOF-2 shows maximal surface area of 1378 m(2)/g with a specific capacitance of 170 F/g at 1 A/g.

}, issn = {1528-7483}, doi = {10.1021/cg401122u}, author = {Aiyappa, Harshitha Barike and Pachfule, Pradip and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000313263300022, title = {Porous-organic-framework-templated nitrogen-rich porous carbon as a more proficient electrocatalyst than Pt/C for the electrochemical reduction of oxygen}, journal = {Chemistry-A European Journal}, volume = {19}, number = {3}, year = {2013}, month = {JAN}, pages = {974-980}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Porous nitrogen-rich carbon (POF-C-1000) that was synthesized by using a porous organic framework (POF) as a self-sacrificing host template in a nanocasting process possessed a high degree of graphitization in an ordered structural arrangement with large domains and well-ordered arrays of carbon sheets. POF-C-1000 exhibits favorable electrocatalytic activity for the oxygen-reduction reaction (ORR) with a clear positive shift of about 40 mV in the onset potential compared to that of a traditional, commercially available Pt/C catalyst. In addition, irrespective of its moderate surface area (785 m2?g-1), POF-C-1000 showed a reasonable H2 adsorption of 1.6 wt?\% (77 K) and a CO2 uptake of 3.5 mmol?g-1 (273 K).

}, keywords = {Adsorption, Electrochemistry, fuel cells, oxygen-reduction reaction, porous organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201202940}, author = {Pachfule, Pradip and Dhavale, Vishal M. and Kandambeth, Sharath and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000316432700037, title = {Pre-combustion capture of carbon dioxide in a fixed bed reactor using the clathrate hydrate process}, journal = {Energy}, volume = {50}, year = {2013}, month = {FEB}, pages = {364-373}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Hydrate based gas separation (HBGS) process with silica sand and silica gel as contact medium was employed to capture CO2 from fuel gas mixture. Gas uptake measurement at three different pressures (7.5, 8.5 and 9.0 MPa) and 274.15 K were conducted for hydrate formation kinetics and overall conversion of water to hydrate, rate of hydrate formation were determined. Water conversion of up to 36\% was achieved with silica sand bed compared to 13\% conversion in the silica gel bed. Effect of driving force on the rate of hydrate formation and gas consumption was significant in silica sand bed whereas it was found to be insignificant in silica gel bed. Hydrate dissociation experiments by thermal stimulation (at constant pressure) alone and a combination of depressurization and thermal stimulation were carried out for complete recovery of the hydrated gas. A driving force of 23 K was found to be sufficient to recover all the hydrated gas within 1 h. This study indicates that silica sand can be an effective porous media for separation of CO2 from fuel gas when compared to silica gel. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Clathrate hydrates, Gas separation, Global warming, Pre-combustion}, issn = {0360-5442}, doi = {10.1016/j.energy.2012.10.046}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000315751600033, title = {Probing interaction of Gram-positive and Gram-negative bacterial cells with ZnO nanorods}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {33}, number = {3}, year = {2013}, month = {APR}, pages = {1247-1253}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present work, the physiological effects of the ZnO nanorods on the Gram positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Aerobacter aerogenes) bacterial cells have been studied. The analysis of bacterial growth curves for various concentrations of ZnO nanorods indicates that Gram positive and Gram negative bacterial cells show inhibition at concentrations of similar to 64 and similar to 256 mu g/mL respectively. The marked difference in susceptibility towards nanorods was also validated by spread plate and disk diffusion methods. In addition, the scanning electron micrographs show a clear damage to the cells via changed morphology of the cells from rod to coccoid etc. The confocal optical microscopy images of these cells also demonstrate the reduction in live cell count in the presence of ZnO nanorods. These, results clearly indicate that the antibacterial activity of ZnO nanorods is higher towards Gram positive bacterium than Gram negative bacterium which indicates that the structure of the cell wall might play a major role in the interaction with nanostructured materials and shows high sensitivity to the particle concentration. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Confocal, Growth curve, Nanorods, SEM, Zeta potential, ZnO}, issn = {0928-4931}, doi = {10.1016/j.msec.2012.12.019}, author = {Jain, Aanchal and Bhargava, Richa and Poddar, Pankaj} } @article { ISI:000325608800002, title = {Proteome wide reduction in AGE modification in streptozotocin induced diabetic mice by hydralazine mediated transglycation}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {OCT}, pages = {2941}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The non-enzymatic reaction between glucose and protein can be chemically reversed by transglycation. Here we report the transglycation activity of hydralazine using a newly developed MALDI-TOF-MS based assay. Hydralazine mediated transglycation of HbA1c, plasma proteins and kidney proteins was demonstrated in streptozotocin (STZ) induced diabetic mice, as evidenced by decrease in protein glycation, as well as presence of hydralazine-glucose conjugate in urine of diabetic mice treated with hydralazine. Hydralazine down regulated the expression of Receptor for Advanced Glycation End products (RAGE), NADPH oxidase (NOX), and super oxide dismutase (SOD). These findings will provide a new dimension for developing intervention strategies for the treatment of glycation associated diseases such as diabetes complications, atherosclerosis, and aging.

}, issn = {2045-2322}, doi = {10.1038/srep02941}, author = {Kesavan, Suresh K. and Bhat, Shweta and Golegaonkar, Sandeep B. and Jagadeeshaprasad, Mashanipalya G. and Deshmukh, Arati B. and Patil, Harshal S. and Bhosale, Santosh D. and Shaikh, Mahemud L. and Thulasiram, Hirekodathakallu V. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313557600018, title = {Proteomic analysis of protease resistant proteins in the diabetic rat kidney}, journal = {Molecular \& Cellular Proteomics}, volume = {12}, number = {1}, year = {2013}, month = {JAN}, pages = {228-236}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Glycation induced protein aggregation has been implicated in the development of diabetic complications and neurodegenerative diseases. These aggregates are known to be resistant to proteolytic digestion. Here we report the identification of protease resistant proteins from the streptozotocin induced diabetic rat kidney, which included enzymes in glucose metabolism and stress response proteins. These protease resistant proteins were characterized to be advanced glycation end products modified and ubiquitinated by immunological and mass spectrometry analysis. Further, diabetic rat kidney exhibited significantly impaired proteasomal activity. The functional analysis of identified physiologically important enzymes showed that their activity was reduced in diabetic condition. Loss of functional activity of these proteins was compensated by enhanced gene expression. Aggregation prone regions were predicted by in silico analysis and compared with advanced glycation end products modification sites. These findings suggested that the accumulation of protein aggregates is an inevitable consequence of impaired proteasomal activity and protease resistance due to advanced glycation end products modification. Molecular \& Cellular Proteomics 12: 10.1074/mcp.M112.020651, 228-236, 2013.

}, issn = {1535-9476}, doi = {10.1074/mcp.M112.020651}, author = {Bansode, Sneha B. and Chougale, Ashok D. and Joshi, Rakesh S. and Giri, Ashok P. and Bodhankar, Subhash L. and Harsulkar, Abhay M. and Kulkarni, Mahesh J.} } @article { ISI:000313557300004, title = {Proteomic profiling and interactome analysis of ER-positive/HER2/neu negative invasive ductal carcinoma of the breast: towards proteomics biomarkers}, journal = {OMICS-A Journal of Integrative Biology}, volume = {17}, number = {1}, year = {2013}, month = {JAN}, pages = {27-40}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Breast cancer, especially ER positive/HER2/neu negative IDC, is the predominant subtype of invasive ductal carcinoma. Although proteomic approaches have been used towards biomarker discovery in clinical breast cancer, ER positive/HER2/neu negative IDC is the least studied subtype. To discover biomarkers, as well as to understand the molecular events associated with disease progression of estrogen receptor positive/HER2/neu negative subtype of invasive ductal carcinoma, differential protein expression profiling was performed by using LC-MSE (MS at elevated energy). A total of 118 proteins were identified, of which 26 were differentially expressed. These identified proteins were functionally classified and their interactions and coexpression were analyzed by using bioinformatic tools PANTHER (Protein Analysis THrough Evolutionary Relationships) and STRING (Search Tool for the Retrieval of Interacting Genes). These proteins were found to be upregulated and were involved in cytoskeletal organization, calcium binding, and stress response. Interactions of annexin A5, actin, S100 A10, glyceraldehyde 3 phosphate dehydrogenase, superoxide dismutase 1, apolipoprotein, fibrinogen, and heat shock proteins were prominent. Differential expression of these proteins was validated by two-dimensional gel electrophoresis and Western blot analysis. The cluster of these proteins may serve as a signature profile for estrogen receptor positive/ HER2/neu negative subtype.

}, issn = {1536-2310}, doi = {10.1089/omi.2012.0054}, author = {Korwar, Arvind M. and Bhonsle, Hemangi S. and Ghole, Vikram S. and Gawai, Kachru R. and Koppikar, Chaitanyananda B. and Kulkarni, Mahesh J.} } @article { ISI:000313764300025, title = {Proteomic study reveals downregulation of apolipoprotein A1 in plasma of poorly controlled diabetes: a pilot study}, journal = {Molecular Medicine Reports}, volume = {7}, number = {2}, year = {2013}, month = {FEB}, pages = {495-498}, publisher = {SPANDIDOS PUBL LTD}, address = {POB 18179, ATHENS, 116 10, GREECE}, abstract = {

Proteomic approaches aid in gaining a better understanding of the pathophysiology of diabetic complications. In view of this, differential protein expression in diabetic plasma samples was studied by a combination of proteomic and western blot analyses. Diabetic plasma samples were categorized based on glycated haemoglobin levels as controlled diabetes (CD; 7-8\%), poorly controlled diabetes (PCD; \>8\%) and non-diabetic control (ND;\<6.4\%). Two-dimensional electrophoresis and liquid chromatography-mass spectrometry revealed differential expression of proteins including upregulation of fibrinogen and haptoglobin and downregulation of vitamin D binding protein, alpha-1-antitrypsin, transthyretin and apolipoprotein A1 (Apo A1) in diabetic compared with non-diabetic plasma samples. Amongst these proteins, Apo A1 downregulation was prominent in PCD. Downregulation of Apo A1 may serve as an early predictive marker of diabetic complications.

}, keywords = {biomarker, HbA1c, proteomics}, issn = {1791-2997}, doi = {10.3892/mmr.2012.1223}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Chougale, Ashok D. and Kote, Sachin S. and Dhande, Nitin L. and Shelgikar, Kishore M. and Kulkarni, Mahesh J.} } @article { ISI:000321431600027, title = {Proton-conducting supramolecular metallogels from the lowest molecular weight assembler ligand: a quote for simplicity}, journal = {Chemistry-A European Journal}, volume = {19}, number = {29}, year = {2013}, month = {JUL}, pages = {9562-9568}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Oxalic acid has been proven to be the lowest molecular weight organic ligand able to form robust supramolecular metallogel networks in the presence of metal salts. In particular, two novel multifunctional metallogels were readily prepared at room temperature by simple mixing of stock solutions of Cu-II acetate monohydrate or Cu-II perchlorate hexahydrate and oxalic acid dihydrate. Formation of different polymorphs and unprecedented proton conduction under anhydrous conditions were also demonstrated with some of these materials.

}, keywords = {Copper, low-molecular-weight ligands, metallogels, proton conductivity, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1002/chem.201204542}, author = {Saha, Subhadeep and Schoen, Eva-Maria and Cativiela, Carlos and Diaz, David Diaz and Banerjee, Rahul} } @article {42741, title = {Rational design of highly active {\textquotedblleft}hybrid{\textquotedblright} phosphine-phosphinite pincer iridium catalysts for alkane metathesis}, journal = {ACS Catalysis}, volume = {3}, year = {2013}, month = {SEP}, pages = {2505{\textendash}2514}, abstract = {

Both the bisphosphine and bisphosphinite pincer complexes (tBu4PCP)IrH2 and (tBu4POCOP)IrH2 can cocatalyze alkane metathesis in tandem with olefin metathesis catalysts, but the two complexes have different resting states during catalysis, suggesting that different steps are turnover-limiting in each case. This led to the hypothesis that a complex with intermediate properties would be catalytically more active than either of these two species. Accordingly, {\textquotedblleft}hybrid{\textquotedblright} phosphine{\textendash}phosphinite pincer ligands (PCOP) and the corresponding iridium complexes were synthesized (3c{\textendash}e). In tandem with olefin-metathesis catalyst MoF12, (tBu4PCOP)IrH2 displays significantly higher activity for the metathesis of n-hexane than does (tBu4PCP)IrH2 or (tBu4POCOP)IrH2. (tBu2PCOPiPr2)IrH4 (3d) is even more active (\>30-fold more active than (tBu4POCOP)IrH2) and affords nearly 4.6 M alkane products after 8 h at 125 {\textdegree}C.

}, doi = {10.1021/cs400624c}, author = {Nawara-Hultzsch, Agnieszka J. and Hackenberg, Jason D. and Punji, Benudhar and Supplee, Carolyn and Emge, Thomas J. and Bailey, Brad C. and Schrock, Richard R. and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000325548600016, title = {Redox-mediated synthesis of functionalised graphene: a strategy towards 2D multifunctional electrocatalysts for energy conversion applications}, journal = {ChemPlusChem}, volume = {78}, number = {10}, year = {2013}, month = {OCT}, pages = {1296-1303}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A simple, one-step synthetic route for developing a two-dimensional multifunctional electrocatalyst is reported, by the functionalisation of graphene using oxidised ethylenedioxythiophene (O-EDOT). The mutually assisted redox reaction between graphene oxide (GO) and EDOT facilitates the reduction of GO to graphene with a concomitant deposition of O-EDOT on the surface of the graphene. The oxidised surface of GO catalyses the reaction without using an added reducing agent, so a controlled and uniform deposition of O-EDOT is ensured on the surface of graphene, which essentially prevents the restacking of the layers. UV/Visible, IR, Raman and X-ray photoelectron spectroscopy give valid evidence for the reduction and functionalisation of graphene sheets. The functional groups present on the surface of graphene are found to tune the physical and chemical properties of graphene. Consequently, the functionalised material displays enhanced electrocatalytic activity for the reduction of oxygen to water and I3- to I- relative to pristine graphene. These distinct property characteristics make the material a versatile cathode electrocatalyst for both alkaline anion-exchange membrane fuel cells and dye-sensitised solar cells.

}, keywords = {electrocatalysts, fuel cells, graphene, redox chemistry, solar cells}, issn = {2192-6506}, doi = {10.1002/cplu.201300153}, author = {Unni, SreeKuttan M. and Bhange, Siddheshwar N. and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article { ISI:000326495000058, title = {Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks}, journal = {CrystEngComm}, volume = {15}, number = {45}, year = {2013}, month = {AUG}, pages = {9634-9640}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Zn based porous homochiral metal-organic framework, ThrZnOAc, belonging to unh topology, has been synthesized using pyridyl functionalized threonine and Zn(OAc)(2) as the metal precursor. Stepwise substitution of the homochiral MOF backbone by simply changing the sidearm of the amino acids (isopropyl in the case of valine, methyl in alanine and hydroxyethyl in threonine) resulted in increased water adsorption in ThrZnOAc compared to the previously reported ValZnOAc/AlaZnOAc. Extensive solvent sorption isotherms (water, methanol, isopropanol and toluene) have been carried out, which revealed high solvophilic interaction with polar solvents in ThrZnOAc due to the polar pore [2-hydroxyethyl {-CH(OH)CH3} sidearm of the amino acid], which is not prominent in the corresponding valine/alanine counterparts. The aforementioned functionalization in a series of isostructural amino acid based MOFs with the only difference being in the sidearm and their emergence as enhanced solvophilic materials is unprecedented in the MOF literature.

}, issn = {1466-8033}, doi = {10.1039/c3ce41083h}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000326049600003, title = {Rheology and microstructural studies of regenerated silk fibroin solutions}, journal = {Rheologica Acta}, volume = {52}, number = {10-12}, year = {2013}, month = {NOV}, pages = {833-840}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Regenerated silk fibroin solutions (RSF) are produced by dissolving degummed silk fibers in water. We have observed that RSF solutions at a concentration less than 15 \% by weight exhibit an unusual gel-like response in conventional shear rheology measurements. At higher concentrations, the response is predominantly viscous (or liquid-like). We have probed this counterintuitive behavior of silk fibroin solutions by using microrheology, and interfacial rheometry. Scattering techniques were also used to understand the microstructure of RSF solutions as a function of the concentration. Our studies suggest that the gel-like response of the RSF solution may result from the formation of an interfacial film at the air-solution interface, which dominates the bulk rheological response.

}, keywords = {Interfacial rheology, Microrheology, Rheology, Silk}, issn = {0035-4511}, doi = {10.1007/s00397-013-0723-5}, author = {Nisal, Anuya and Kalelkar, Chirag and Bellare, Jayesh R. and Lele, Ashish K.} } @article { ISI:000318917900005, title = {Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability}, journal = {Chemical Communications}, volume = {49}, number = {46}, year = {2013}, month = {APR}, pages = {5262-5264}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Eight Zn-based porous (1.2 nm) homochiral MOFs (ValZnX, AlaZnX

}, issn = {1359-7345}, doi = {10.1039/c3cc41842a}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Saha, Subhadeep and Banerjee, Rahul} } @article {43289, title = {Self-assembly to function: design, synthesis and broad spectrum antimicrobial properties of short hybrid E-vinylogous lipopeptides}, journal = {Journal of Medicinal Chemistry}, volume = {56}, year = {2013}, month = {NOV}, pages = {8468-8474}, abstract = {Nonribosomal E-vinylogous gamma-amino acids are widely present in many peptide natural products and have been exploited as inhibitors for serine and cysteine proteases. Here, we are reporting the broad spectrum antimicrobial properties and self-assembled nanostructures of various hybrid lipopeptides composed of 1:1 alternating alpha-and E-vinylogous residues. Analysis of the results revealed that self-assembled nanostructures also play a significant role in the antimicrobial and hemolytic activities. In contrast to the alpha-peptide counterparts, vinylogous hybrid peptides displayed excellent antimicrobial properties against various bacterial and fungal strains. Peptides that adopted nanofiber structures displayed less hemolytic activity, while peptides that adopted nanoneedle structures displayed the highest hemolytic activity.}, doi = {10.1021/jm400884w}, author = {Shankar, S. Shiva and Benke, Sushil N. and Nagendra, Narem and Srivastava, Prabhakar Lal and Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N.} } @article { ISI:000319330200007, title = {Silencing an N-acyltransferase-like involved in lignin biosynthesis in nicotiana attenuata dramatically alters herbivory-induced phenolamide metabolism}, journal = {Plos One}, volume = {8}, number = {5}, year = {2013}, month = {MAY}, pages = {e62336}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

In a transcriptomic screen of Manduca sexta-induced N-acyltransferases in leaves of Nicotiana attenuata, we identified an N-acyltransferase gene sharing a high similarity with the tobacco lignin-biosynthetic hydroxycinnamoyl-CoA: shikimate/quinate hydroxycinnamoyl transferase (HCT) gene whose expression is controlled by MYB8, a transcription factor that regulates the production of phenylpropanoid polyamine conjugates (phenolamides, PAs). To evaluate the involvement of this HCT-like gene in lignin production as well as the resulting crosstalk with PA metabolism during insect herbivory, we transiently silenced (by VIGs) the expression of this gene and performed non-targeted (UHPLC-ESI/TOF-MS) metabolomics analyses. In agreement with a conserved function of N. attenuata HCT-like in lignin biogenesis, HCT-silenced plants developed weak, soft stems with greatly reduced lignin contents. Metabolic profiling demonstrated large shifts (up to 12\% deregulation in total extracted ions in insect-attacked leaves) due to a large diversion of activated coumaric acid units into the production of developmentally and herbivory-induced coumaroyl-containing PAs (N{\textquoteright}, N {\textquoteleft}{\textquoteright}-dicoumaroylspermidine, N{\textquoteright}, N {\textquoteleft}{\textquoteright}-coumaroylputrescine, etc) and to minor increases in the most abundant free phenolics (chlorogenic and cryptochlorogenic acids), all without altering the production of well characterized herbivory-responsive caffeoyl-and feruloyl-based putrescine and spermidine PAs. These data are consistent with a strong metabolic tension, exacerbated during herbivory, over the allocation of coumaroyl-CoA units among lignin and unusual coumaroyl-containing PAs, and rule out a role for HCT-LIKE in tuning the herbivory-induced accumulation of other PAs. Additionally, these results are consistent with a role for lignification as an induced anti-herbivore defense.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0062336}, author = {Gaquerel, Emmanuel and Kotkar, Hemlata and Onkokesung, Nawaporn and Galis, Ivan and Baldwin, Ian T.} } @article { ISI:000325762000061, title = {Stabilization of graphene quantum dots (GQDs) by encapsulation inside zeolitic imidazolate framework nanocrystals for photoluminescence tuning}, journal = {Nanoscale}, volume = {5}, number = {21}, year = {2013}, month = {SEP}, pages = {10556-10561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Luminescent graphene quantum dots (GQDs) are encapsulated and stabilized in Zeolitic Imidazolate Framework (ZIF-8) nanocrystals. The GQDs are well confined due to the adsorption on the growing face of the ZIF-8 nanocrystals and have a profound effect on the shape of the nanocrystals from rhombic dodecahedron to spherical. Stabilizing GQDs inside the ZIF-8 nanocrystals results in tailoring of the photoluminescence emission (ca. 32 nm, bathochromic shift) of the GQD@ZIF-8 nanocrystal composite even after 3 months of aging under normal laboratory conditions. Also the water adsorption (at STP) capacity increased for the GQD@ ZIF-8 composite as compared to the pristine ZIF-8.

}, issn = {2040-3364}, doi = {10.1039/c3nr03511e}, author = {Biswal, Bishnu P. and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Banerjee, Rahul} } @article { ISI:000327261700125, title = {Static and dynamic magnetic properties and effect of surface chemistry on the morphology and crystallinity of DyCrO3 nanoplatelets}, journal = {RSC Advances}, volume = {3}, number = {48}, year = {2013}, month = {OCT}, pages = {26427-26432}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this contribution, the structural and magnetic properties of DyCrO3 nanoplatelets, synthesized by a hydrolytic sol-gel method, have been investigated. The crystalline phase of DyCrO3 was attained at the decomposition temperature of 800 degrees C for citric acid and oxalic acid, respectively and their structural analysis indicates a distorted orthorhombic perovskite structure of the DyCrO3 nanoplatelets. The dc-magnetization curve shows the Neel temperature of similar to 144 and similar to 146 K for DyCrO3 nanoplatelets synthesized using citric acid (DCO (C)) and oxalic acid (DCO (O)), respectively. In addition, DCO (O) shows weak anomalies at similar to 22 and similar to 6 K in the zero-field-cooled and field-cooled magnetization curves. Below the Neel temperature, DCO (C) and DCO (O) exhibit cross-over from positive to negative magnetization at similar to 143 and similar to 145 K, respectively. This was attributed to a Dy3+-Cr3+ interaction, which resulted in a weak ferromagnetic coupling (seen as a small opening in the M-H curves). The low temperature transition observed at similar to 6 K can be assigned to the onset of Dy3+-Dy3+ antiferromagnetic interaction.

}, issn = {2046-2069}, doi = {10.1039/c3ra43088j}, author = {Gupta, Preeti and Bhargava, Richa and Das, Raja and Poddar, Pankaj} } @article {42703, title = {Stepwise metal-ligand cooperation via a reversible aromatization-deconjugation-sequence in ruthenium complexes with a tetradentate phenanthroline-based ligand}, journal = {Chemistry - A European Journal}, volume = {19}, year = {2013}, month = {MAR}, pages = {3407{\textendash}3414}, abstract = {

The synthesis and reactivity of ruthenium complexes containing the tetradentate phenanthroline-based phosphine ligand 2,9-bis((di-tert-butylphosphino)methyl)-1,10-phenanthroline (PPhenP) is described. The hydrido chloro complex [RuHCl(PPhenP)] (2) undergoes facile dearomatization upon deprotonation of the benzylic position, to give [RuH(PPhenP-H)] (4). Addition of dihydrogen to 4 causes rearomatization of the phenanthroline moiety to trans-[Ru(H)2(PPhenP)] (5), followed by hydrogenation of an aromatic heterocycle in the ligand backbone, to give a new dearomatized and deconjugated complex [RuH(PPhenP*-H)] (6). These aromatization/deconjugation steps of the coordinated ligand were demonstrated to be reversible and operative in the dehydrogenation of primary alcohols without the need for a hydrogen acceptor. This aromatization/deconjugation sequence constitutes an unprecedented mode of a stepwise cooperation between the metal center and the coordinated ligand.

}, doi = {10.1002/chem.201204003}, author = {Langer, Robert and Fuchs, Ido and Vogt, Matthias and Balaraman, Ekambaram and Diskin-Posner, Yael and Shimon, Linda J. W. and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000326495000001, title = {Structural design of coordination polymers}, journal = {Crystengcomm}, volume = {15}, number = {45}, year = {2013}, month = {OCT}, pages = {9237-9238}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c3ce90156d}, author = {Du, Miao and Banerjee, Rahul and Shimizu, George K. H.} } @article { ISI:000320332500027, title = {Structural isomerism leading to variable proton conductivity in indium(III) isophthalic acid based frameworks}, journal = {Chemical Communications}, volume = {49}, number = {55}, year = {2013}, month = {MAY}, pages = {6197-6199}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Proton conductivity has been studied thoroughly in two isomeric In(III)-isophthalate based MOFs. In-IA-2D-1 is capable of showing proton conductivity (3.4 x 10(-3) S cm(-1)) under humidified conditions (98\% RH), whereas In-IA-2D-2 can conduct protons (2.6 x 10(-5) S cm(-1)) under humidified as well as anhydrous conditions.

}, issn = {1359-7345}, doi = {10.1039/c3cc41939h}, author = {Panda, Tamas and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000313613800011, title = {Studies on fabrication, characterization, and metal extraction using metal chelating nonwoven nanofiber mats of poly(vinyl alcohol) and sodium alginate blends}, journal = {Polymer Engineering and Science}, volume = {53}, number = {2}, year = {2013}, month = {FEB}, pages = {321-333}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Poly(vinyl alcohol) and sodium alginate blends with and without the metal chelate, bis(2,4,4-trimethylpentyl)phosphinic acid were prepared in various compositions and fabricated to stable nanofibers and films to evaluate their efficacy for metals adsorption and desorption. Surface morphology of the nanofibers was characterized by scanning electron microscopy. The solution properties and variation in content of sodium alginate in the feed mixture have influenced morphology of nanofibers. However, influence of bis(2,4,4-trimethylpentyl)phosphinic acid was insignificant. The films and nanofibers were characterized using Fourier transform infrared spectroscopy, differential scanning calorimetry, thermo gravimetric analysis, and X-ray diffraction to understand compatibility between polymers, thermal stability, decomposition temperature, and variations in crystallinity. Metal adsorption studies for nanofiber mats comprising bis(2,4,4-trimethylpentyl)phosphinic acid were demonstrated using copper (II), cobalt(II), and nickel(II) salts. The nanofibers adsorbed more copper (363 mg/g) when compared with films (105 mg/g). Nanofiber mats immobilized with bis(2,4,4-trimethylpentyl)phosphinic acid adsorbed copper in greater magnitude (497 mg/g) than nanofiber mats without bis(2,4,4-trimethylpentyl)phosphinic acid (363 mg/g). However, adsorption of cobalt and nickel was very low to be detected. The metal adsorption and desorption studies were also confirmed by energy dispersive X-ray spectroscopy. POLYM. ENG. SCI., 2013. (c) 2012 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23267}, author = {Rathna, G. V. N. and Birajdar, Mallinath S. and Bhagwani, Manish and Paul, V. L.} } @article { ISI:000328941200014, title = {Supramolecular nanoparticles that target phosphoinositide-3-kinase overcome insulin resistance and exert pronounced antitumor efficacy}, journal = {Cancer Research}, volume = {73}, number = {23}, year = {2013}, month = {DEC}, pages = {6987-6997}, publisher = {AMER ASSOC CANCER RESEARCH}, address = {615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA}, abstract = {

The centrality of phosphoinositide-3-kinase (PI3K) in cancer etiology is well established, but clinical translation of PI3K inhibitors has been limited by feedback signaling, suboptimal intratumoral concentration, and an insulin resistance {\textquoteleft}{\textquoteleft}class effect.{\textquoteright}{\textquoteright} This study was designed to explore the use of supramolecular nanochemistry for targeting PI3K to enhance antitumor efficacy and potentially overcome these limitations. PI3K inhibitor structures were rationally modified using a cholesterol-based derivative, facilitating supramolecular nanoassembly with L-alpha-phosphatidylcholine and DSPE-PEG [1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polythylen e glycol)]. The supramolecular nanoparticles (SNP) that were assembled were physicochemically characterized and functionally evaluated in vitro. Antitumor efficacy was quantified in vivo using 4T1 breast cancer and K-Ras(LSL/+)/Pten(fl/fl) ovarian cancer models, with effects on glucose homeostasis evaluated using an insulin sensitivity test. The use of PI103 and PI828 as surrogate molecules to engineer the SNPs highlighted the need to keep design principles in perspective; specifically, potency of the active molecule and the linker chemistry were critical principles for efficacy, similar to antibody-drug conjugates. We found that the SNPs exerted a temporally sustained inhibition of phosphorylation of Akt, mTOR, S6K, and 4EBP in vivo. These effects were associated with increased antitumor efficacy and survival as compared with PI103 and PI828. Efficacy was further increased by decorating the nanoparticle surface with tumor-homing peptides. Notably, the use of SNPs abrogated the insulin resistance that has been associated widely with other PI3K inhibitors. This study provides a preclinical foundation for the use of supramolecular nanochemistry to overcome current challenges associated with PI3K inhibitors, offering a paradigm for extension to other molecularly targeted therapeutics being explored for cancer treatment. (C)2013 AACR.

}, issn = {0008-5472}, doi = {10.1158/0008-5472.CAN-12-4477}, author = {Kulkarni, Ashish A. and Roy, Bhaskar and Rao, Poornima S. and Wyant, Gregory A. and Mahmoud, Ayaat and Ramachandran, Madhumitha and Sengupta, Poulomi and Goldman, Aaron and Kotamraju, Venkata Ramana and Basu, Sudipta and Mashelkar, Raghunath Anant and Ruoslahti, Erkki and Dinulescu, Daniela M. and Sengupta, Shiladitya} } @article { ISI:000318332300017, title = {Suzuki-Miyaura cross-coupling reaction between aryl halides and phenylboronic acids over gold nano-particles supported on MgO (or CaO) and other metal oxides}, journal = {Journal of Catalysis}, volume = {301}, year = {2013}, month = {MAY}, pages = {134-140}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Gold nano-particles-supported alkaline earth metal oxides, particularly MgO or CaO, show high catalytic activity in the Suzuki-Miyaura cross-coupling reaction in the presence of K2CO3 and DMF (as a solvent). The catalytic activity is strongly influenced by the nature or type of metal oxide support (viz, alkaline earth oxide, Group IIIA metal oxide, transition metal oxide, or rare earth oxide actinide oxide). It is also strongly influenced by the nature of aryl halide (aryl iodide, bromide, chloride, or fluoride), amount of K2CO3 in the reaction mixture and catalyst calcination temperature. Influence of reaction parameters viz, temperature and time and different substituents in aryl halides and/or phenylboronic acids on the biphenyl product yield in the reaction over Au/MgO catalyst has also been investigated. The catalyst showed excellent reusability in the reaction. Moreover, it is ligand-free and also has much lower cost than the commonly used homogeneous and heterogeneous Pd catalysts. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Aryl halides, Au/MgO (or CaO) catalyst, Biphenyls, Gold nano-particles, phenylboronic acids, Suzuki-Miyaura coupling reaction}, issn = {0021-9517}, doi = {10.1016/j.jcat.2013.01.012}, author = {Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar and Choudhary, Vasant R.} } @article { ISI:000321490900014, title = {Synthesis of a sex pheromone of the longtailed mealybug, pseudococcus longispinus}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {12}, year = {2013}, month = {JUN}, pages = {1689-1692}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The synthesis of a recently identified and highly active sex pheromone of the longtailed mealybug, Pseudococcus longispinus is reported. A concise synthetic route, use of the under explored Meyer-Schuster rearrangement, Claisen rearrangement, and ring-closing metathesis are the highlights of this work.

}, keywords = {Acylation, Metathesis, pheromones, rearrangement, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1338450}, author = {Kurhade, Suresh E. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000315060600030, title = {Synthesis of all four nucleoside-based beta-amino acids as protected precursors for the synthesis of polyamide-DNA with alternating alpha-amino acid and nucleoside-beta-amino acids}, journal = {Tetrahedron}, volume = {69}, number = {3}, year = {2013}, month = {JAN}, pages = {1210-1216}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple approach is described for the synthesis of all four orthogonally protected nucleoside-beta-amino acids from commercially available starting materials. Synthesis of a model tetrameric DNA sequence in 5{\textquoteright}-3{\textquoteright}direction employing trityl strategy and glycine as alpha-amino acid alternating with nucleoside-beta amino acids is described. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Antisense therapeutics, Neutral DNA analogues, Nucleoside-beta amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.11.028}, author = {Seema Bagmare and Varada, Manojkumar and Banerjee, Anjan and Kumar, Vaijayanti A.} } @article {42488, title = {Synthesis, steady-state, and femtosecond transient absorption studies of resorcinol bound ruthenium(ii)- and osmium(ii)-polypyridyl complexes on nano-TiO2 surface in water}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {APR}, pages = {5366{\textendash}5377}, abstract = {

The synthesis of two new ruthenium(II)- and osmium(II)-polypyridyl complexes 3 and 4, respectively, with resorcinol as the enediol anchoring moiety, is described. Steady-state photochemical and electrochemical studies of the two sensitizer dyes confirm strong binding of the dyes to TiO2 in water. Femtosecond transient absorption studies have been carried out on the dye{\textendash}TiO2 systems in water to reveal \<120 fs and 1.5 ps electron injection times along with 30\% slower back electron transfer time for the ruthenium complex 3. However, the corresponding osmium complex 4 shows strikingly different behavior for which only a \<120 fs ultrafast injection is observed. Most remarkably, the back electron transfer is faster as compared to the corresponding catechol analogue of the dye. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This Article on the electron transfer dynamics of the aforesaid systems reinforces the possibility of resorcinol being explored and developed as an extremely efficient binding moiety for use in dye-sensitized solar cells.

}, doi = {10.1021/ic4003548}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000317094300015, title = {Synthesis, structure, and H-2/CO2 adsorption in a three-dimensional 4-connected triorganotin coordination polymer with a sqc topology}, journal = {Inorganic Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {APR}, pages = {3579-3581}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A 4-connected triorganotin 3D coordination polymer in a sqc topology has been shown to possess 1D microchannels along its crystallographic a axis. This main-group-element-containing framework structure shows selective gas adsorption, preferring CO2 and H-2 over N-2.

}, issn = {0020-1669}, doi = {10.1021/ic302528b}, author = {Chandrasekhar, Vadapalli and Mohapatra, Chandrajeet and Banerjee, Rahul and Mallick, Arijit} } @article {42704, title = {Synthesis, structures, and dearomatization by deprotonation of iron complexes featuring bipyridine-based PNN pincer ligands}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {JUL}, pages = {9636{\textendash}9649}, abstract = {

The synthesis and characterization of new iron pincer complexes bearing bipyridine-based PNN ligands is reported. Three phosphine-substituted pincer ligands, namely, the known tBu-PNN (6-((di-tert-butylphosphino)methyl)-2,2'-bipyridine) and the two new iPr-PNN (6-((di-iso-propylphosphino)methyl)-2,2'-bipyridine) and Ph-PNN (6-((diphenylphosphino)methyl)-2,2'-bipyridine) ligands were synthesized and studied in ligation reactions with iron(II) chloride and bromide. These reactions lead to the formation of two types of complexes: mono-chelated neutral complexes of the type [(R-PNN)Fe(X)2] and bis-chelated dicationic complexes of the type [(R-PNN)2Fe]2+. The complexes [(R-PNN)Fe(X)2] (1: R = tBu, X = Cl, 2: R = tBu, X = Br, 3: R = iPr, X = Cl, and 4: R = iPr, X = Br) are readily prepared from reactions of FeX2 with the free R-PNN ligand in a 1:1 ratio. Magnetic susceptibility measurements show that these complexes have a high-spin ground state (S = 2) at room temperature. Employing a 2-fold or higher excess of iPr-PNN, diamagnetic hexacoordinated dicationic complexes of the type [(iPr-PNN)2Fe](X)2 (5: X = Cl, and 6: X = Br) are formed. The reactions of Ph-PNN with FeX2 in a 1:1 ratio lead to similar complexes of the type [(Ph-PNN)2Fe](FeX4) (7: X = Cl, and 8: X = Br). Single crystal X-ray studies of 1, 2, 4, 6, and 8 do not indicate electron transfer from the FeII centers to the neutral bipyridine unit based on the determined bond lengths. Density functional theory (DFT) calculations were performed to compare the relative energies of the mono- and bis-chelated complexes. The doubly deprotonated complexes [(R-PNN*)2Fe] (9: R = iPr, and 10: R = Ph) were synthesized by reactions of the dicationic complexes 6 and 8 with KOtBu. The dearomatized nature of the central pyridine of the pincer ligand was established by X-ray diffraction analysis of single crystals of 10. Reactivity studies show that 9 and 10 have a slightly different behavior in protonation reactions.

}, doi = {10.1021/ic401432m}, author = {Zell, Thomas and Langer, Robert and Iron, Mark A. and Konstantinovski, Leonid and Shimon, Linda J. W. and Diskin-Posner, Yael and Leitus, Gregory and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000318748300011, title = {Thermodynamic behavior of hydrophobically modified polyacrylamide containing random distribution of hydrophobes: experimental and theoretical investigations}, journal = {Polymer}, volume = {54}, number = {11}, year = {2013}, month = {MAY}, pages = {2676-2689}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Two series of Hydrophobically Modified Polyacrylamides (HMPAMs) were prepared by free radical copolymerization of trimethylsilylacrylamide with 3-pentadecylcyclohexylacrylamide (PDCAM) or dodecylacrylamide (DDAM) followed by removal of trimethylsilyl protecting groups. The solution properties of HMPAMs were studied in dilute aqueous solution by fluorescence spectroscopy, NMR and viscometry. The properties in aqueous solution of HMPAMs clearly displayed the formation of hydrophobic interactions between alkyl stickers. While dodecyl containing HMPAMs mainly showed a progressive collapse of the copolymer coil with the increasing fraction of hydrophobic moieties (weak intra-chain associations), pentadecylcyclohexyl groups containing HMPAMs exhibited a much lower solubility in water due to strong intra- and inter-chain associations. Experimental data were analyzed using the mean field theory developed by Semenov and Rubinstein (SR) for associating polymers. Using a set of realistic parameters, taking into account the solubility of the backbone, the fraction of stickers and the strength of hydrophobic attractions, we show that the SR model offers a quantitative description of the thermodynamic properties of HMPAMs in terms of individual and collective behavior of polymers chains; i.e. swelling and phase separation, respectively. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Associating polymer, Polyacrylamide, Self-assembling}, issn = {0032-3861}, doi = {10.1016/j.polymer.2013.03.039}, author = {Hourdet, Dominique and Ducouret, Guylaine and Varghese, Sony and Badiger, Manohar V. and Wadgaonkar, Prakash P.} } @article {42445, title = {Transition-metal-free multicomponent reactions involving arynes, N-heterocycles, and isatins}, journal = {Angewandte Chemie-International Edition}, volume = {52}, year = {2013}, month = {AUG}, pages = {10040{\textendash}10043}, abstract = {

Mix and match: With isoquinoline as the nucleophilic trigger, multicomponent reactions afforded spirooxazino isoquinoline derivatives, proceeding through 1,4-dipolar intermediates. The use of pyridine as a nucleophile furnished indolin-2-one derivatives, with the reaction likely proceeding through a pyridylidene intermediate.

}, doi = {10.1002/anie.201304278}, author = {Bhunia, Anup and Roy, Tony and Pachfule, Pradip and Rajamohanan, Pattuparambil R. and Biju, Akkattu T.} } @article { ISI:000325039100047, title = {Ultrasound promoted efficient and green protocol for the expeditious synthesis of 1, 4 disubstituted 1, 2, 3-triazoles using Cu(II) doped clay as catalyst}, journal = {Applied Clay Science}, volume = {80-81}, year = {2013}, month = {AUG}, pages = {351-357}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cu(II) doped clay catalyst has been prepared by an easy technique from inexpensive starting materials and investigated for the one pot synthesis of 1, 4-disubstituted 1, 2, 3-triazoles via Huisgen [3 + 2] cycloaddition under ultrasonic irradiation at room temperature. The catalyst is highly active, selective, and stable and can be reused several times. The prepared catalyst has been characterized by XRD, BET-SA, H-2-TPR, SEM and XPS techniques. This transformation is fast, efficient and does not require nitrogen atmosphere or anoxic conditions and additive. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Catalyst support, Copper catalyst, Crystallization, selectivity, Sustainability}, issn = {0169-1317}, doi = {10.1016/j.clay.2013.06.030}, author = {Dar, Bashir Ahmad and Bhowmik, Amrita and Sharma, Amit and Sharma, Parduman R. and Lazar, Anish and Singh, A. P. and Sharma, Meena and Singh, Baldev} } @article { ISI:000325849000034, title = {Zeolitic imidazolate framework (ZIF)-derived, hollow-core, nitrogen-doped carbon nanostructures for oxygen-reduction reactions in PEFCs}, journal = {Chemistry-A European Journal}, volume = {19}, number = {28}, year = {2013}, month = {JUL}, pages = {9335-9342}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The facile synthesis of a porous carbon material that is doped with iron-coordinated nitrogen active sites (FeNC-70) is demonstrated by following an inexpensive synthetic pathway with a zeolitic imidazolate framework (ZIF-70) as a template. To emphasize the possibility of tuning the porosity and surface area of the resulting carbon materials based on the structure of the parent ZIF, two other ZIFs, that is, ZIF-68 and ZIF-69, are also synthesized. The resulting active carbon material that is derived from ZIF-70, that is, FeNC-70, exhibits the highest BET surface area of 262m2g-1 compared to the active carbon materials that are derived from ZIF-68 and ZIF-69. The HR-TEM images of FeNC-70 show that the carbon particles have a bimodal structure that is composed of a spherical macroscopic pore (about 200nm) and a mesoporous shell. X-ray photoelectron spectroscopy (XPS) reveals the presence of Fe-N-C moieties, which are the primary active sites for the oxygen-reduction reaction (ORR). Quantitative estimation by using EDAX analysis reveals a nitrogen content of 14.5wt.\%, along with trace amounts of iron (0.1wt.\%), in the active FeNC-70 catalyst. This active porous carbon material, which is enriched with Fe-N-C moieties, reduces the oxygen molecule with an onset potential at 0.80V versus NHE through a pathway that involves 3.3-3.8e- under acidic conditions, which is much closer to the favored 4e- pathway for the ORR. The onset potential of FeNC-70 is significantly higher than those of its counterparts (FeNC-68 and FeNC-69) and of other reported systems. The FeNC-based systems also exhibit much-higher tolerance towards MeOH oxidation and electrochemical stability during an accelerated durability test (ADT). Electrochemical analysis and structural characterizations predict that the active sites for the ORR are most likely to be the insitu generated NFeN2+2/C moieties, which are distributed along the carbon framework.

}, keywords = {Doping, Electrochemistry, metal-organic frameworks, Nanostructures, oxygen-reduction reaction}, issn = {0947-6539}, doi = {10.1002/chem.201300145}, author = {Palaniselvam, Thangavelu and Biswal, Bishnu P. and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000336254200001, title = {2014 International year of crystallography celebration: India}, journal = {Crystengcomm}, volume = {16}, number = {22}, year = {2014}, month = {MAY}, pages = {4665-4666}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c4ce90064b}, author = {Banerjee, Rahul} } @article { ISI:000344330800010, title = {Acid-base cooperative catalysis over mesoporous nitrogen-rich carbon}, journal = {ChemCatChem}, volume = {6}, number = {11}, year = {2014}, month = {NOV}, pages = {3091-3095}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

WOx nanoclusters (2-3 nm) embedded on a mesoporous nitrogen-rich carbon material were synthesized by using novel methodology. This material was very effectively capitalized as a new carbon-based acid-base cooperative catalyst for sequential acetal hydrolysis and Knoevenagel condensation reactions. The protocol was also explored for the nitroaldol condensation reaction.

}, keywords = {cooperative catalysts, Knoevenagel condensation, mesoporous materials, Nanostructures, nitro aldol reaction}, issn = {1867-3880}, doi = {10.1002/cctc.201402537}, author = {Goyal, Reena and Sarkar, Bipul and Lucas, Nishita and Bordoloi, Ankur} } @article {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:000332027100007, title = {Amino acid-based multiresponsive low-molecular weight metallohydrogels with load-bearing and rapid self-healing abilities}, journal = {Chemical Communications}, volume = {50}, number = {23}, year = {2014}, month = {FEB}, pages = {3004-3006}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A multiresponsive metallohydrogel based on an amino acid-derived low molecular weight (LMW) ligand and a Zn(II) salt was prepared. This hydrogel showed remarkable shape-persistent, self-standing, load-bearing and self-healing properties, which is uncommon in LMW hydrogels.

}, issn = {1359-7345}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000334599800029, title = {Anti-cancer therapeutic potential of quinazoline based small molecules via global upregulation of miRNAs}, journal = {Chemical Communications}, volume = {50}, number = {35}, year = {2014}, month = {MAR}, pages = {4639-4642}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three quinazoline based small molecules showed global upregulation of miRNA expression with a selective enrichment of tumor suppressor miRNAs. The target genes of the upregulated miRNAs were predicted to be enriched for apoptotic pathways. Apoptotic induction following treatment with quinazoline compounds was confirmed by in cellulo studies. Thus, these small molecules having the core structural moiety (2,4-diphenyl-quinazoline) can be used as scaffolds to design activators of miRNA expression paving the way for novel anti-cancer drugs.

}, issn = {1359-7345}, doi = {10.1039/c3cc49337g}, author = {Nahar, Smita and Bose, Debojit and Panja, Sumit Kumar and Saha, Satyen and Maiti, Souvik} } @article { ISI:000334682700018, title = {Antimicrobial and SEM studies of sophorolipids synthesized using lauryl alcohol}, journal = {Journal of Surfactants and Detergents}, volume = {17}, number = {3}, year = {2014}, month = {MAY}, pages = {543-552}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

In recent years, researchers have developed biosurfactants for industrial, pharmaceutical and medical applications revealing the promising biological activities of these biomolecules. One of the best studied microbial surfactants are glycolipids, especially sophorolipids (SLs) produced by selected non-pathogenic yeast species of Candida. They are biodegradable, non-toxic and are environmentally friendly. Sophorolipid production was carried out using glucose as the hydrophilic source and lauryl alcohol C12-14, as the hydrophobic source using Candida bombicola ATCC 22214. Primary characterization of the SL obtained using lauryl alcohol (SLLA) was done by FTIR which depicted the presence of alkyl sophorosides/SLs. Antimicrobial activity testing revealed that SLLA showed complete inhibition against gram negative bacteria, Escherichia coli (ATCC 8739) Pseudomonas aeruginosa (ATCC 9027) at 30 and 1 mu g/ml at a contact time of 2 and 4 h respectively. Whereas for gram positive bacteria Staphylococcus aureus (ATCC 6358), Bacillus subtilis (ATCC 6633), complete inhibition was observed at 6 and 1 mu g/ml respectively at a contact time of 4 h. The formed SLLA showed noteworthy inhibition against the pathogenic yeast Candida albicans (ATCC 2091) at 50 mu g/ml with a contact time of 4 h. These values are remarkably low compared to reported values of oleic acid SLs and linolenic acid SLs which were studied for antimicrobial properties. Scanning electron microscopy analysis of the treated cells revealed the changes in morphology and topography of the microorganisms.

}, keywords = {Antimicrobial property, Biosurfactants, Candida bombicola, Lauryl alcohol, sophorolipids}, issn = {1097-3958}, doi = {10.1007/s11743-013-1495-8}, author = {Dengle-Pulate, Vrushali and Chandorkar, Parul and Bhagwat, Sunil S. and Prabhune, Asmita Ashutosh} } @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:000327915300016, title = {Calcium oxide supported gold nanoparticles as catalysts for the selective epoxidation of styrene by t-butyl hydroperoxide}, journal = {Journal of Colloid and Interface Science}, volume = {415}, year = {2014}, month = {FEB}, pages = {111-116}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Gold nanoparticles are deposited on basic CaO supports as catalysts for the selective conversion of styrene into styrene oxide. Synthetic methods, gold loading and calcination temperatures are varied to permit an understanding of their influence on gold nanoparticle size, the presence of cationic gold species and the nature of interaction between the gold nanoparticles and the CaO support. Based on these studies, optimal conditions are designed to make the Au/CaO catalyst efficient for the selective epoxidation of styrene. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Au/CaO, Epoxidation of styrene, gold nanoparticles, Homogenous deposition precipitation method, Styrene oxide}, issn = {0021-9797}, doi = {10.1016/j.jcis.2013.10.016}, author = {Dumbre, Deepa K. and Choudhary, Vasant R. and Patil, Nilesh S. and Uphade, Balu S. and Bhargava, Suresh Kumar} } @article { ISI:000330143000008, title = {CdS nanowires: ultra-long growth and enhanced field emission properties}, journal = {Vaccum}, volume = {101}, number = {SI}, year = {2014}, month = {MAR}, pages = {38-45}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Here, we report the synthesis of ultra-long CdS nanowires with aspect ratio similar to 8 x 10(4) by simple route of thermal evaporation technique. A change in the vertical arrangement of quartz boats leads in to the synthesis of ultra-long CdS nanovvires via high degree of condensation. This technique is seen to be cost effective and easy. The growth of the nanowires is found to be increased very rapidly from few micrometers to few millimeters. The possible reason for the growth of the ultra-long CdS nanowires is discussed in detail. The turn-on field defined for the current density of similar to 0.1 mu A/cm(2) has been found to be similar to 1.4, 1.45, 1 and 0.17 V/mu m for specimen A, B, C and D (specimens A-D, synthesized by variation in synthesis parameters) respectively. The turn-on field of the specimen D (similar to 0.17 V/mu m) is found to be quite superior than the value reported for other CdS nanoforms which is very remarkable. Simple way of bulk fabrication leads to the low turn-on value which indicates a possible use of the present emitter in the micro/nanoelectronics devices. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Current stability, field emission, synthesis}, issn = {0042-207X}, doi = {10.1016/j.vacuum.2013.07.019}, author = {Chavan, Padmakar G. and Kashid, Ranjit V. and Badhade, Satish S. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000340703000039, title = {CH3NH3PbI(3-x)(BF4)(x): molecular ion substituted hybrid perovskite}, journal = {Chemical Communications}, volume = {50}, number = {68}, year = {2014}, month = {SEP}, pages = {9741-9744}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A molecular ion (BF4-) substituted hybrid perovskite CH3NH3PbI(3-x)(BF4)(x) is synthesized. The substituted perovskite shows significant enhancement in electrical conductivity at low frequencies and improved photoresponse under AM1.5 illumination as compared to the perovskite (CH3NH3PbI3).

}, issn = {1359-7345}, doi = {10.1039/C4CC04537H}, author = {Nagane, Satyawan and Bansode, Umesh P. and Game, Onkar S. and Chhatre, Shraddha and Ogale, Satishchandra} } @article {46387, title = {Chemically delaminated free standing covalent organic nanosheets (CONs)}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C457}, type = {Meeting Abstract}, keywords = {Covalent organic framework, porous polymers, ultra thin nano sheets}, issn = {2053-2733}, author = {Khayum, Abdul M. and Banerjee, Rahul} } @article {46373, title = {Chemically stable urea based COF for size selective heterogeneous catalysis}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {FEB}, pages = {C1146}, type = {Meeting Abstract}, keywords = {chemical stability, Covalent organic framework, heterogeneous catalysis}, issn = {2053-2733}, author = {Basu, Arghya and Banerjee, Rahul} } @article { ISI:000338089500001, title = {Chemistry of materials celebrates the 80th birthday of one of the premier "chemists of materials"}, journal = {Chemistry of Materials}, volume = {26}, number = {12}, year = {2014}, month = {JUN}, pages = {3593-3594}, publisher = {AMER CHEMICAL SOC}, type = {Editorial Material}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm501763w}, author = {Prasad, Bhagavatula L. V and Buriak, Jillian M.} } @article {46374, title = {Chickpea Kunitz Inhibitor: a mechanistic basis for trypsin inhibition}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C271}, type = {Meeting Abstract}, keywords = {Chickpea, Kunitz Inhibitor, Protease}, issn = {2053-2733}, author = {Bendre, Ameya Dipak and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000342018100001, title = {Cholesterol depletion by methyl-beta-cyclodextrin augments tamoxifen induced cell death by enhancing its uptake in melanoma}, journal = {Molecular Cancer}, volume = {13}, year = {2014}, month = {SEP}, pages = {Article No. 204}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Despite modern advances in treatment, skin cancer is still one of the most common causes of death in the western countries. Chemotherapy plays an important role in melanoma management. Tamoxifen has been used either alone or in-combination with other chemotherapeutic agents to treat melanoma. However, response rate of tamoxifen as a single agent has been comparatively low. In the present study, we investigated whether treatment with methyl-beta-cyclodextrin (MCD), a cholesterol depleting agent, increases the efficacy of tamoxifen in melanoma cells. Methods: This was a two-part study that incorporated in vitro effects of tamoxifen and MCD combination by analyzing cell survival, apoptosis and cell cycle analysis and in vivo antitumor efficacy on tumor isografts in C57BL/6J mice. Results: MCD potentiated tamoxifen induced anticancer effects by causing cell cycle arrest and induction of apoptosis. Sensitization to tamoxifen was associated with down regulation of antiapoptotic protein Bcl-2, up-regulation of proapoptotic protein Bax, reduced caveolin-1 (Cav-1) and decreased pAkt/pERK levels. Co-administration of tamoxifen and MCD caused significant reduction in tumor volume and tumor weight in mice due to enhancement of drug uptake in the tumor. Supplementation with cholesterol abrogated combined effect of tamoxifen and MCD. Conclusion: Our results emphasize a potential synergistic effect of tamoxifen with MCD, and therefore, may provide a unique therapeutic window for improvement in melanoma treatment.

}, keywords = {Caveolin-1, Cholesterol, Methyl beta-cyclodextrin, Tamoxifen}, issn = {1476-4598}, doi = {10.1186/1476-4598-13-204}, author = {Mohammad, Naoshad and Malvi, Parmanand and Meena, Avtar Singh and Singh, Shivendra Vikram and Chaube, Balkrishna and Vannuruswamy, Garikapati and Kulkarni, Mahesh J. and Bhat, Manoj Kumar} } @article { ISI:000340872300007, title = {Clay-supported copper nitrate (Claycop): a mild reagent for the selective nitration of aromatic olefins}, journal = {Synlett}, volume = {25}, number = {14}, year = {2014}, month = {SEP}, pages = {1997-2000}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A straightforward and highly selective method has been developed for the nitration of a wide variety of aromatic and aliphatic olefins by using a clay-supported copper nitrate (Claycop) and a catalytic amount of (2,2,6,6-tetramethylpiperidin-1-yl)oxyl, an inexpensive and mild reagent system. High conversions and exclusive E-selectivity, together with the environmentally benign nature of the Claycop reagent, make this a green method and an attractive alternative to established methods.

}, keywords = {alkenes, nitrations}, issn = {0936-5214}, doi = {10.1055/s-0034-1378513}, author = {Begari, Eeshwaraiah and Singh, Chandani and Nookaraju, U. and Kumar, Pradeep} } @article { ISI:000329299200005, title = {Comparison of sodium zirconium phosphate and calcium zirconium phosphate structures for the retention of fluoride}, journal = {Journal of Radioanalytical and Nuclear Chemistry}, volume = {299}, number = {1}, year = {2014}, month = {JAN}, pages = {19-24}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Fluoride anion interaction has been explored for the first time to investigate how the structure of sodium zirconium phosphate (NZP) and calcium zirconium phosphate (CZP) can be altered in its presence. Different compositions were made by adding NaF and CaF2 in CZP and NZP matrices respectively. Fluoride interaction differs with NZP and CZP structure as suggested by F-NMR data. The addition of fluoride to the NZP or CZP structure enables to stabilize the structure at a low temperature of 600-700 A degrees C under microwave conditions.

}, keywords = {F-NMR, Fluoride characterization, Microwave, NZP, PIGE}, issn = {0236-5731}, doi = {10.1007/s10967-013-2741-2}, author = {Dey, Ambarish and Das Gupta, Amit and Basu, Debrata and Ambashta, Ritu D. and Wattal, P. K. and Kumar, Sanjiv and Body, Monique and Rajamohanan, P. R.} } @article { ISI:000344589700016, title = {Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO2- anion}, journal = {Journal of Chemical Physics}, volume = {141}, number = {16}, year = {2014}, month = {OCT}, pages = {Article No. 164113}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

The equation-of-motion coupled cluster method employing the complex absorbing potential has been used to investigate the low energy electron scattering by CO2. We have studied the potential energy curve for the (2)Pi(u) resonance states of CO2- upon bending as well as symmetric and asymmetric stretching of the molecule. Specifically, we have stretched the C-O bond length from 1.1 angstrom to 1.5 angstrom and the bending angles are changed between 180 degrees and 132 degrees. Upon bending, the low energy (2)Pi(u) resonance state is split into two components, i.e., (2)A(1), B-2(1) due to the Renner-Teller effect, which behave differently as the molecule is bent. (c) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4899280}, author = {Ghosh, Aryya and Vaval, Nayana and Pal, Sourav and Bartlett, Rodney J.} } @article {46386, title = {Construction of highly crystalline ultraporous covalent organic frameworks in seconds}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C456}, type = {Meeting Abstract}, keywords = {COFs, Crystalline, Ultraporous}, issn = {2053-2733}, author = {Karak, Suvendu and Banerjee, Rahul} } @article { ISI:000346134300012, title = {Continuous-flow meerwein arylation}, journal = {Journal of Flow Chemistry}, volume = {4}, number = {4}, year = {2014}, month = {DEC}, pages = {211-216}, publisher = {AKADEMIAI KIADO RT}, type = {Article}, address = {PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY}, abstract = {

The continuous-flow Meerwein arylation is demonstrated for a set of few aryl donors (anilines and m-aminoacetophenone) and specific radical acceptors. Homogeneous catalyst (CuBr in HBr and CuCl in HCl) was used to facilitate the reaction. The effect of parameters, viz., temperature, catalyst concentration, residence time, and concentration of the radical acceptor on the yield of the arylated product, was studied. The yield of the aryl derivative obtained by continuous-flow syntheses was always better than the respective experiments in batch mode. Flow synthesis allows easy variation in these parameters and thus allows going close to the maximum possible yields in a system where the relative rates of different reactions create a complex situation. Temperature plays a crucial role by affecting the rates as well as by governing the system homogeneity. The nitrogen bubbles generated in the reaction helped to avoid any channel blockage.

}, keywords = {diazonium salt, flow chemistry, homogeneous catalyst, Meerwein arylation, micromixer, multistep synthesis}, issn = {2062-249X}, doi = {10.1556/JFC-D-14-00023}, author = {Bhaya, Vinay G. and Joshi, Ramesh A. and Kulkarni, Amol A.} } @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 {46381, title = {Covalent organic framework thin-films for molecular separation}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C547}, type = {Meeting Abstract}, keywords = {Covalent organic framework, Separation, Thin-films}, issn = {2053-2733}, author = {Dey, Kaushik and Banerjee, Rahul} } @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:000330340200002, title = {Crystalline metal-organic frameworks (MOFs): synthesis, structure and function}, journal = {Acta Crystallographica Section B-Structural Science}, volume = {70}, number = {1, SI}, year = {2014}, month = {FEB}, pages = {3-10}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Metal-organic frameworks (MOFs) are a class of hybrid network supramolecular solid materials comprised of organized organic linkers and metal cations. They can display enormously high surface areas with tunable pore size and functionality, and can be used as hosts for a range of guest molecules. Since their discovery, MOFs have experienced widespread exploration for their applications in gas storage, drug delivery and sensing. This article covers general and modern synthetic strategies to prepare MOFs, and discusses their structural diversity and properties with respect to application perspectives.

}, issn = {0108-7681}, doi = {10.1107/S2052520613029557}, author = {Dey, Chandan and Kundu, Tanay and Biswal, Bishnu P. and Mallick, Arijit and Banerjee, Rahul} } @article {46394, title = {Crystalline porous materials for gas adsorption}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C463}, type = {Meeting Abstract}, keywords = {Covalent organic framework, gas adsorption}, issn = {2053-2733}, author = {Pal, Tapan Kumar and Banerjee, Rahul} } @article { ISI:000329886900036, title = {Cu(II) conjugation along the transformation of a vitamin K-3 derivative to a dinaphthoquinone methide radical}, journal = {New Journal of Chemistry}, volume = {38}, number = {1}, year = {2014}, month = {JAN}, pages = {277-284}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

1,1{\textquoteright}-Methide-bi-vitamin K-3 (B) has been isolated as a dinaphthoquinone methide radical (DNQM) by the transformation of 1-imino(acetylhydrazino)-vitamin K-3 (A). The transformation follows a biomimetic activation pathway mediated via Cu(II) ion catalyzed oxidative coupling. Single crystal X-ray and electron spin resonance (ESR) experiments combined with density functional calculations elucidate the {\textquoteleft}{\textquoteleft}resonance structure{\textquoteright}{\textquoteright} of the DNQM radical (B). Fluorescence investigations reveal that DNQM facilitates interaction with the cysteine residue. As compared to the parent substrate, B shows a depletion in the level of GSH, triggering apoptosis in HeLa cells.

}, issn = {1144-0546}, doi = {10.1039/c3nj00783a}, author = {Badave, Kirti D. and Patil, Shalaka S. and Khan, Ayesha A. and Srinivas, Darbha and Butcher, Raymond J. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Pinjari, Rahul V. and Gejji, Shridhar P. and Rane, Sandhya Y.} } @article { ISI:000338640200014, title = {Current research and future perspectives of phytase bioprocessing}, journal = {RSC Advances}, volume = {4}, number = {51}, year = {2014}, month = {MAY}, pages = {26677-26691}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Phosphorus is one of nature{\textquoteright}s paradoxes as it is life{\textquoteright}s bottleneck for subsistence on earth but at same time is detrimental in surplus quantities in an aquatic environment. Phosphorus cannot be manufactured, though fortunately it can be recovered and reused. The only way to avert a supply crisis is to implement the {\textquoteleft}{\textquoteleft}3R{\textquoteright}s{\textquoteright}{\textquoteright} of sustainability, {\textquoteleft}{\textquoteleft}Reduce, Reuse and Recycle.{\textquoteright}{\textquoteright} Phytase is likely to play a critical role in the dephosphorylation of antinutritional and indigestible phytate, a phosphorus locking molecule, to digestible phosphorus, calcium and other mineral nutrients in the coming years. Hence, efforts are required to produce cost effective phytase with fast upstream and economic downstream processing because the current available process is expensive and time consuming. This review summarizes the present state of methods studied for phytase bioprocessing. Production, extraction and purification incur a large cost in product development. In addition, the process has several limitations such as dilute concentration of enzyme, extensive downstream procedures and treatment of generated effluents. However, these methods are currently employed due to lack of alternative methods. Thus, there is a clear need for an efficient, scalable and economical process for phytase production and bioseparation, and improvements are especially required with regard to yield, purity, and energy consumption. Perspectives for an improved bioprocess development for phytase are discussed based on our own experience and recent studies. It is argued that the optimization of production techniques, strain improvement and liquid-liquid extraction deserves more attention in the future.

}, issn = {2046-2069}, doi = {10.1039/c4ra03445g}, author = {Bhavsar, Kavita P. and Khire, Jayant Malhar} } @article {46385, title = {Decoding the morphological diversity in two dimensional crystalline porous polymers}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C552}, type = {Meeting Abstract}, keywords = {Covalent organic framework, Density functional calculations, Morphology}, issn = {2053-2733}, author = {Halder, Arjun and Banerjee, Rahul} } @proceedings {43316, title = {Design and engineering of organic molecules for customizable terahertz tags}, volume = {8985}, year = {2014}, month = {FEB}, pages = {Article Number: UNSP 89850P}, publisher = {SPIE-Int Soc Optical Engineering, 1000 20th ST, PO Box 10, Bellingham, WA 98227-0010 USA}, address = {San Francisco, CA}, abstract = {

Terahertz (THz) frequency band lies between the microwave and infrared region of the electromagnetic spectrum. Molecules having strong resonances in this frequency range are ideal for realizing "Terahertz tags" which can be easily incorporated into various materials. THz spectroscopy of molecules, especially at frequencies below 10 THz, provides valuable information on the low frequency vibrational modes, viz. intermolecular vibrational modes, hydrogen bond stretching, torsional vibrations in several chemical and biological compounds. So far there have been very few attempts to engineer molecules which can demonstrate customizable resonances in the THz frequency region. In this paper, Diamidopyridine (DAP) based molecules are used as a model system to demonstrate engineering of THz resonances (\< 10 THz) by fine-tuning the molecular mass and bond strengths. Density Functional Theory (DFT) simulations have been carried out to explain the origin of THz resonances and factors contributing to the shift in resonances due to the addition of various functional groups. The design approach presented here can be easily extended to engineer various organic molecules suitable for THz tags application.

}, doi = {10.1117/12.2041194}, author = {Ray, Shaumik and Dash, Jyotirmayee and Nallappan, Kathirvel and Kaware, Vaibhav and Basutkar, Nitin and Ambade, Ashootosh and Joshi, Kavita and Pesala, Bala} } @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 { ISI:000341619500004, title = {Design of efficient metal-free organic dyes having an azacyclazine scaffold as the donor fragment for dye-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20763-20771}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The energy conversion efficiency of dye-sensitized solar cells derived from organic dye molecules has seen immense interest recently. In this work, we report a series of organic donor molecules with enhanced energy conversion efficiency using ?-spacers and cyanoacrylic acid as an anchoring group (2-6). Density functional theory (DFT) and time-dependent DFT calculations of these molecules have been performed to examine their electronic structures and absorption spectra before and after binding to the semiconductor titanium dioxide surface. The computational results suggest that dyes 4 and 6 have a larger driving force (Delta G(inject) = -1.66 and -1.80 eV, respectively) and light-harvesting efficiency (LHE = 0.99) in the series of donor molecules studied. Thus, these dyes should possess a larger short-circuit photocurrent density (J(sc)) compared to the other examined dyes. The reported Delta G(inject) (-1.62 eV) and LHE (0.98) for compound 1, calculated with the same level of theory, were lower than those of the designed 4 and 6 dyes. Furthermore, the DFT calculations showed that the open-circuit photovoltage (V-oc) is improved with the vertical dipole moment and number of photoinjected electrons for 4 and 6. Dyes 4 and 6 are expected to exhibit high solar-energy-to-electricity conversion.

}, issn = {1932-7447}, doi = {10.1021/jp5049953}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Sen, Anik and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000337149900033, title = {Design, synthesis and cytotoxicity of novel N-benzylpiperidin-4-one oximes on human cervical cancer cells}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {3}, year = {2014}, month = {MAY}, pages = {861-873}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A series of fifteen diversified N-benzylpiperidin-4-one oximes were synthesized and characterized by their NMR spectral data. Additionally, single-crystal XRD analysis was performed for the representative symmetrically and unsymmetrically substituted molecules. All the synthesized oximes from unsymmetrical ketones existed as E-isomer as witnessed by their NMR and XRD data. Among the synthesized target compounds that evaluated for their in vitro cytotoxicity against human cervical carcinoma (HeLa) cells, five compounds were potent with IC50 \< 17 mu M. 1-Benzyl-2,6-bis(4-isopropylphenyl)-3-methylpiperidin-4-one oxime 3c with an IC50 of 13.88 mu M was found to be the best active compound as depicted by the microscopic analysis.

}, keywords = {Cytotoxicity, HeLa cells, N-benzylpiperidin-4-one oximes, single-crystal XRD}, issn = {0974-3626}, doi = {10.1007/s12039-014-0622-z}, author = {Dindulkar, Someshwar D. and Bhatnagar, Ira and Gawade, Rupesh L. and Puranik, Vedavati G. and Kim, Se-Kwon and Anh, Dong Hyun and Parthiban, Paramasivam and Jeong, Yeon Tae} } @article { ISI:000331803800085, title = {Determination of carrier lifetime and mobility in colloidal quantum dot films via impedance spectroscopy}, journal = {Applied Physics Letters}, volume = {104}, number = {6}, year = {2014}, month = {FEB}, pages = {063504}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Impedance Spectroscopy (IS) proves to be a powerful tool for the determination of carrier lifetime and majority carrier mobility in colloidal quantum dot films. We employ IS to determine the carrier lifetime in PbS quantum dot Schottky solar cells with Al and we verify the validity of the technique via transient photovoltage. We also present a simple approach based on an RC model that allows the determination of carrier mobility in PbS quantum dot films and we corroborate the results via comparison with space charge limited measurements. In summary, we demonstrate the potential of IS to characterize key-to-photovoltaics optoelectronic properties, carrier lifetime, and mobility, in a facile way. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4865089}, author = {Rath, Arup Kumar and Lasanta, Tania and Bernechea, Maria and Diedenhofen, Silke L. and Konstantatos, Gerasimos} } @article {43307, title = {Determination of optimum values of descriptors to set filters for synthetic tri-pyrrole derivatives (prodiginines) against multi drug resistant strain of plasmodium falciparum}, journal = {Current Research in Drug Discovery}, volume = {1}, year = {2014}, month = {JAN}, pages = {51-59}, abstract = {

Abstract: In the present study, we have carried out extensive non-linear Quantitative-Structure Activity Relationship (QSAR) analysis to correlate in vitro anti-malarial activity against multi drug resistant strain of Plasmodium falciparum. Forty-three synthetic prodiginines with different structural features were used for their potential antimalarial activity. Linear, bilinear, biexponential and parabolic equations were developed. These equations were compared to determine the optimum values of descriptors for very useful and easily interpretable descriptors. The optimum values of these descriptors could be helpful in finding and optimizing a good lead compound. Obtained correlations reveal that various factors like lipophilicity, molecular weight and number of bonds have non-linear relation with the anti-malarial activity. Keywords: Prodiginines, Anti-Malarial Activity, Optimum/Desirability Values, Hybrid Inverse-QSAR

}, doi = {10.3844/crddsp.2014.51.59}, author = {Masand, Vijay H. and Mahajan, Devidas T. and Pourbasheer, Eslam and Hadda, Taibi Ben and Chauhan, Harsh and Gajbhiye, Jayant M. and Alafeefy, A. M.} } @article {42441, title = {Diels-alder reaction of tropones with arynes: synthesis of functionalized benzobicyclo[3.2.2]nonatrienones}, journal = {Journal of Organic Chemistry}, volume = {79}, year = {2014}, month = {APR}, pages = {4757{\textendash}4762}, abstract = {

A new procedure for the mild, practical, and scalable Diels{\textendash}Alder reaction of tropones with arynes is reported. Differently substituted tropones undergo selective [4 + 2] cycloaddition with arynes generated in situ by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates, allowing the formation of functionalized benzobicyclo[3.2.2]nonatrienone derivatives in moderate to good yields. In addition, the photophysical properties of the cycloadducts are presented.

}, doi = {10.1021/jo500819w}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and Bisht, Rajesh H. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000331020000004, title = {Differential transcriptional activity of SAD, FAD2 and FAD3 desaturase genes in developing seeds of linseed contributes to varietal variation in alpha-linolenic acid content}, journal = {Phytochemistry}, volume = {98}, year = {2014}, month = {FEB}, pages = {41-53}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Linseed or flax (Linum usitatissimum L.) varieties differ markedly in their seed a-linolenic acid (ALA) levels. Fatty acid desaturases play a key role in accumulating ALA in seed. We performed fatty acid (FA) profiling of various seed developmental stages of ten Indian linseed varieties including one mutant variety. Depending on their ALA contents, these varieties were grouped under high ALA and low ALA groups. Transcript profiling of six microsomal desaturase genes (SAD1, SAD2, FAD2, FAD2-2, FAD3A and FAD3B), which act sequentially in the fatty acid desaturation pathway, was performed using real-time PCR. We observed gene specific as well as temporal expression pattern for all the desaturases and their differential expression profiles corresponded well with the variation in FA accumulation in the two groups. Our study points to efficient conversion of intermediate FAs [stearic (SA), oleic (OA) and linoleic acids (LA)] to the final product, ALA, due to efficient action of all the desaturases in high ALA group. While in the low ALA group, even though the initial conversion up to OA was efficient, later conversions up to ALA seemed to be inefficient, leading to higher accumulation of OA and LA instead of ALA. We sequenced the six desaturase genes from the ten varieties and observed that variation in the amino acid (AA) sequences of desaturases was not responsible for differential ALA accumulation, except in the mutant variety TL23 with very low (\<2\%) ALA content. In TL23, a point mutation in the FAD3A gene resulted into a premature stop codon generating a truncated protein with 291 AA. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {ALA, Fatty acid desaturases, Fatty acids, Flax, Gene expression, Linseed}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2013.12.002}, author = {Rajwade, Ashwini V. and Kadoo, Narendra Y. and Borikar, Sanjay P. and Harsulkar, Abhay M. and Ghorpade, Prakash B. and Gupta, Vidya S.} } @article { ISI:000337637100017, title = {Disordered mesoporous TiO2-xNx+Nano-Au: an electronically integrated nanocomposite for solar H-2 generation}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {522-530}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report on H-2 generation by photocatalysis driven by simulated white light by electronically integrated Au nanoparticles with multifunctional, disordered mesoporous TiO2-xNx (Au-NT) nanocomposites. Solar H-2 generation (1.5 mmolh(-1)g(-1)) from aqueous methanol has been demonstrated with Au-NT nanocomposites. The water splitting activity of Au-NT is attributed to the 21.1 ps lifetime of charge carriers observed from fluorescence lifetime measurements, which indicates a high electron-injection efficiency from nano-Au to the conduction band of TiO2, and hence charge separation as well as utilization. This is directly supported by the observation of a high photoluminescence emission intensity with Au-NT that highlights the energy transfer from nano-Au to TiO2. The p-n heterojunction observed between the Au (001) and TiO2 (101) facets helps to-wards the higher charge separation and their utilization. A low mesochannel depth (\< 10 nm) associated with disordered mesoporous TiO2-xNx helps the charge carriers to move towards the surface for redox reactions and hence charge utilization. Visible-light absorption, as a result of the surface plasmon resonance of nano-Au, is observed in a broad range between 500 and 750 nm, which helps in harvesting visible-light photons. Finally, electronically integrated nano-Au with TiO2-xNx in Au-NT is evident from Raman and X-ray photoelectron spectroscopy measurements. All of these factors help to achieve a high rate of H-2 production. It is likely that a higher rate of H-2 production than that reported here is feasible by strategically locating Au clusters in porous TiO2 to generate hot spots through electronic integration.

}, keywords = {heterogeneous catalysis, Hydrogen, mesoporous materials, photochemistry, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.201300715}, author = {Sivaranjani, Kumarsrinivasan and Rajaambal, Sivaraman and Das, Tanmay and Roy, Kanak and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000337101800021, title = {Dissolvable metallohydrogels for controlled release: evidence of a kinetic supramolecular gel phase intermediate}, journal = {Chemical Communications}, volume = {50}, number = {53}, year = {2014}, month = {MAY}, pages = {7032-7035}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two metallohydrogels based on an amino acid-based ligand and Zn(II) salts were synthesized. These hydrogels show an uncommon, reversible, time-dependent transformation from the opaque to transparent state. These hydrogels also exhibit gradual dissolution in water (pH \<= 7) over time. A water-soluble stimulant, caffeine, could be in situ loaded into the hydrogels and slowly released during dissolution.

}, issn = {1359-7345}, doi = {10.1039/c4cc02771j}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000339090400033, title = {Distinctive PdCl2-mediated transformation of Fe-based metallogels into metal-organic frameworks}, journal = {Crystal Growth \& Design}, volume = {14}, number = {7}, year = {2014}, month = {JUL}, pages = {3434-3437}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Simple, efficient conversion of viable Fe3+-based metallogels into Fe-metal-organic frameworks (MOFs) has been achieved by PdCl2-mediated gel degradation. The metallogels and the resulting MOFs have been characterized, and a probable mechanism for the event has been elucidated.

}, issn = {1528-7483}, doi = {10.1021/cg500368q}, author = {Aiyappa, Harshitha Barike and Saha, Subhadeep and Garai, Bikash and Thote, Jayshri and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI: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:000334895800014, title = {Effect of method of preparation on hydrodesulphurization activity of Co- or Ni-promoted MoS2/SBA-15 catalysts}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {437-444}, publisher = {Catalysis Soc India}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Ordered mesoporous material SBA-15 was synthesized and used as a support for the preparation of molybdenum sulphide catalysts through precipitation from homogeneous solution (PFHS) technique with the Mo content varying from 2-12 wt\%. The prepared catalysts were evaluated for thiophene hydrodesulphurizadon catalytic activities at 400 degrees C. Catalysts prepared through PFHS method resulted in highly dispersed MoS2 catalysts, which were inferred from powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), low temperature oxygen chemisorptions (LTOC) and BET surface area analysis. The relationship between XPS intensity ratio, oxygen chemisorption and catalytic activities is discussed in terms of highly dispersed nano particles of MoS2 and its consequence in accommodating more promoted atoms at the edge sites.

}, keywords = {HDS, MoS2, PFHS method, promotional effects, SBA-15}, issn = {0974-3626}, author = {Garg, Shelu and Soni, Kapil and Prasad, V. V. D. N. and Kumar, Manoj and Bhaskar, Thallada and Gupta, J. K. and Dhar, G. Murali and Gopinath, Chinnakonda S.} } @article {46369, title = {Effect of pH on the hydrolytic kinetics of gamma-glutamyl transferase from bacillus subtilis}, journal = {Scientific World Journal}, year = {2014}, month = {FEB}, pages = {216270}, type = {Article}, abstract = {

The effect of pH on the steady state kinetics of gamma-glutamyl transferase (GGT) from Bacillus subtilis was examined using glutamyl-(3-carboxyl)-4-nitroanilide as the chromogenic reporter substrate. The enzyme was active in the pH range 7.0-11.0 with the optimum activity at pH 11.0. We noticed a pH dependent transformation in the nature of substrate consumption kinetics. The substrate saturation curves were hyperbolic in the pH range 7.0-9.0 but changed into sigmoid form at pH 10.0 and 11.0. Hill{\textquoteright}s coefficients were \> 1. We also analysed the effect of pH on the structure of the enzyme. The circular dichroism spectra of the enzyme sample at pH 9.0 and 11.0 were coincidental in both far and near UV regions indicating conservation of the secondary and tertiary structures, respectively. Themolecular weight of the enzyme sample was the same in both pH 7.0 and 11.0 indicating conservation of the quaternary structure. These results show that the kinetic transformation does not involve significant conformational changes. Cooperative binding of multiple substrate molecules may not be the basis for the sigmoid kinetics as only one substrate binding site has been noticed in the reported crystal structures of B. subtilis GGT.

}, issn = {1537-744X}, doi = {10.1155/2014/216270}, author = {Balakrishna, Sharath and Prabhune, Asmita} } @article { ISI:000346624500002, title = {Efficient synthesis of 1,5-benzodiazepines catalyzed by bismuth nitrate}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {53}, number = {12}, year = {2014}, month = {DEC}, pages = {1561-1567}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

An efficient method has been developed for the synthesis of biologically active 1,5-benzodiazepines in one-pot by reacting o-phenylenediamine and ketones catalyzed by bismuth nitrate pentahydrate at room temperature or under microwave irradiation.

}, keywords = {1, 5-benzodiazepines, bismuth nitrate pentahydrate, o-Phenylenediamine, synthetic methods}, issn = {0376-4699}, author = {Bhattacharya, Asish K. and Dange, Santoshkumar S. and Polanki, Innaiah K. and Chand, Hemender R.} } @article { ISI:000331163900009, title = {Efficient synthesis of 9-aryldihydrophenanthrenes by a cascade reaction involving arynes and styrenes}, journal = {Organic Letters}, volume = {16}, number = {3}, year = {2014}, month = {FEB}, pages = {676-679}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A mild, general, and transition-metal-free protocol for the synthesis of 9,10-dihydrophenanthrenes is reported. The aryne generated by the fluoride-induced,1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes an efficient cascade reaction initiated by the Diels-Alder reaction with the differently substituted styrenes leading to the formation of 9-aryl-9,10-dihydrophenanthrene derivatives in moderate to good yields.

}, issn = {1523-7060}, doi = {10.1021/ol4033094}, author = {Bhojgude, Sachin Suresh and Bhunia, Anup and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000335226700033, title = {Efficient synthesis of glycerol carbonate/glycidol using 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU) based ionic liquids as catalyst}, journal = {RSC Advances}, volume = {4}, number = {33}, year = {2014}, month = {FEB}, pages = {17124-17128}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transesterification of dimethyl carbonate with glycerol to glycerol carbonate has been catalyzed efficiently using basic ionic liquids as catalysts. Activity of all the ILs tested is very high and the best result (96\% conversion with 82\% selectivity to glycerol carbonate and 18\% selectivity to glycidol) was obtained using IL1 as catalyst. The effect of catalyst loading has significant influence on the selectivity pattern. The higher activity of the ionic liquid is explained with a plausible mechanism based on the co-operative effect of both cation and anion.

}, issn = {2046-2069}, doi = {10.1039/c3ra47433j}, author = {Munshi, Mudassir K. and Biradar, Pradeep S. and Gade, Swapna M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @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} } @conference {46368, title = {Electrokinetic properties of PMAA functionalized NiFe2O4 nanoparticles synthesized by thermal plasma route}, booktitle = {Solid State Physics: Proceedings of the 58th Dae Solid State Physics Symposium 2013, PTS A \& B}, year = {2014}, month = {DEC}, publisher = {Board Res Nucl Sci; Dept Atom Energy; Govt India}, organization = {Board Res Nucl Sci; Dept Atom Energy; Govt India}, address = {2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA}, abstract = {

The magnetic nickel ferrite (NiFe2O4) nanoparticles with an average size of 30nm were synthesised by Transferred arc DC Thermal Plasma route. The synthesized nickel ferrite nanoparticles were characterized by TEM and FTIR techniques. The synthesized nickel ferrite nanoparticles were further functionalized with PMAA (polymethacrylic acid) by self emulsion polymerization method and subsequently were characterized by FTIR and Zeta Analyzer. The variation of zeta potential with pH was systematically studied for both PMAA functionalized (PNFO) and uncoated nickel ferrite nanoparticles (NFO). The IEP (isoelectric points) for PNFO and NFO was determined from the graph of zeta potential vs pH. It was observed that the IEP for NFO was at 7.20 and for PNFO it was 2.52. The decrease in IEP of PNFO was attributed to the COOH functional group of PMAA.

}, keywords = {IEP, NiFe2O4, PMAA, Thermal plasma, Zeta potential}, isbn = {978-0-7354-1225-5}, doi = {10.1063/14873080}, author = {Bhosale, Shivaji V. and Mhaske, Pravin and Kanhe, N. and Navale, A. B. and Bhoraskar, S. V. and Mathe, V. L. and Bhatt, S. K.}, editor = {Murli, C and Bhattacharyya, D and Gadkari, SC} } @article { ISI:000343974100018, title = {Electronic structure-sunlight driven water splitting activity correlation of (Zn1-yGay)(O1-zNz)}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {43}, year = {2014}, month = {SEP}, pages = {23654-23662}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

(Zn1-yGay)(O1-zNz) (y \<= 0.10; z \<= 0.15) solid solutions have been investigated for their electronic structure and visible light photocatalytic activity, and a correlation was found between them. (Zn1-yGay)(O1-zNz) with ZnO as the major component have been synthesized by a solution combustion method in 10 minutes using simple raw materials. The local structures of Zn K edge and Ga K edge, and changes in the chemical environment with the incorporation of Ga and N in ZnO were determined by EXAFS study. EXAFS and XRD results suggested the dissolution of GaN in the ZnO lattice. The homogeneity of the solid solution was demonstrated from HRTEM studies. Photoluminescence studies revealed the creation of a new band at the top of the ZnO valence band (VB), and thus the broadening of the VB of (Zn1-yGay)(O1-zNz) or a decrease in the band gap was attributed to the origin of visible light absorption. UV-Vis spectral studies showed light absorption up to 550 nm, which directly supports the VB broadening. Predominant oxygen vacancies and high photocorrosion observed for ZnO were fully suppressed for (Zn1-yGay)(O1-zNz) , indicating the minimization of defects, and thus more sustainability under irradiation conditions. The bare solid solution exhibited reasonable and promising activity for solar hydrogen evolution and photoelectrochemical current generation at 0 V. The present work explained factors such as the preparation method, single phase structure with the stabilization of integral parts, homogeneity in the structure, compensation of oxygen vacancies, and suppression of the density of recombination centres that play a pivotal role in realizing solar energy harvesting.

}, issn = {1463-9076}, doi = {10.1039/c4cp03640a}, author = {Rajaambal, Sivaraman and Yadav, A. K. and Jha, Shambhu Nath and Bhattacharyya, Dibyendu and Gopinath, Chinnakonda S.} } @article { ISI:000340530500007, title = {Electronic transition dipole moment: a semi-biorthogonal approach within valence universal coupled cluster framework}, journal = {International Journal of Quantum Chemistry}, volume = {114}, number = {18, SI}, year = {2014}, month = {SEP}, pages = {1212-1219}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Electronic dipole strengths (square of transition moments) and oscillator strengths are evaluated for various transitions, arising from the ground state to a few valence excited states. Parallel to two other methods of calculating the dipole strength within the Fock-space multireference coupled cluster framework, a new semi-biorthogonal approach is formulated and implemented in this article. This semi-biorthogonal approach can evaluate dipole strengths at a lower computational effort than the biorthogonal approach without compromising on the accuracy. This new method is compared and tested against the previously developed expectation value and biorthogonal approach for various molecular transitions. (C) 2014 Wiley Periodicals, Inc.

}, keywords = {electronic transition dipole, Fock-space, oscillator strength, semi-biorthogonal expectation value}, issn = {0020-7608}, doi = {10.1002/qua.24691}, author = {Bhattacharya, Debarati and Vaval, Nayana and Pal, Sourav} } @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 {42444, title = {Employing arynes in transition-metal-free, N-heterocycles initiated multicomponent reactions}, journal = {Synlett}, volume = {25}, year = {2014}, month = {JAN}, pages = {608-614}, abstract = {

Transition-metal-free multicomponent reactions involving arynes, N-heterocycles, and various carbonyl compounds have been reported. With (iso)quinoline as the nucleophile and carbonyl compounds, such as aldehydes, ketones, and N-substituted isatins as electrophiles, the reaction afforded oxazino (iso)quinoline derivatives and the reaction proceeded via 1,4-dipolar intermediates. Interestingly, when the nucleophilic trigger used is pyridine, the reaction furnished indolin-2-one derivatives, and it is probable that the reaction proceeds via a pyridylidene intermediate.

}, keywords = {arynes - multicomponent reaction - oxindoles - pyridines - quinolines}, doi = {10.1055/s-0033-1340549}, author = {Bhunia, Anup and Biju, Akkattu T.} } @article { ISI:000344389000066, title = {Emulsion ionic liquid membranes (EILMs) for removal of Pb(II) from aqueous solutions}, journal = {RSC Advances}, volume = {4}, number = {94}, year = {2014}, month = {OCT}, pages = {52316-52323}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ionic liquids (ILs) are playing increasingly important roles in the membrane separation processes. The present manuscript discusses the removal of Pb(II) ions from aqueous solution using an emulsion ionic liquid membrane (EILM) process. Initially, the emulsion liquid membrane (ELM) was prepared by stirring strip phase (sulphuric acid) and organic phase (surfactant: span 80, extractant: D2EHPA, diluent: hexane) together under high speed agitation. Note that, the parameters of the ELM process such as emulsification speed, pH of the feed phase, treat ratio, extractant and surfactant concentrations were studied for the maximum removal of Pb(II) ions. The role of IL was explored by adding hydrophobic IL, octylmethylimidazole hexafluorophosphine ([OMIM][PF6]), in the organic phase. The performance of ELM with and without IL was compared on the basis of stability, enrichment factor and the removal efficiency for Pb(II). The results showed that the percentage of Pb(II) extraction was complete by the emulsion membrane with IL (EILM) in comparison to the 97\% achieved by neat ELM. Further, the stability and the enrichment factor of the EILM were found to be 2-3 times greater than that of the ELM. The FT-IR spectroscopic analysis revealed that bond interactions between IL and membrane phase components avoided the coalescence of internal phase droplets and enhanced the emulsion stability. The results obtained in this work support the use of the IL [OMIM][PF6] as both a stabilizer and carrier for the overall improvement of the ELM process.

}, issn = {2046-2069}, doi = {10.1039/c4ra06485b}, author = {Lende, Avinash B. and Dinker, Manish K. and Bhosale, Vikas K. and Kamble, Sanjay P. and Meshram, Pawan D. and Kulkarni, Prashant S.} } @article { ISI:000340520500055, title = {Enhanced catalytic activity of polyethylenedioxythiophene towards tri-iodide reduction in DSSCs via 1-dimensional alignment using hollow carbon nanofibers}, journal = {Nanoscale}, volume = {6}, number = {17}, year = {2014}, month = {JUL}, pages = {10332-10339}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Here, we report a highly conducting 1-dimensionally (1-D) aligned polyethylenedioxythiophene (PEDOT) along the inner and outer surfaces of a hollow carbon nanofiber (CNF) and its application as a counter electrode in a dye sensitized solar cell (DSSC). The hybrid material (CP-25) displays a conversion efficiency of 7.16\% compared to 7.30\% for the standard Pt counter electrode, 4.48\% for bulk PEDOT and 5.56\% for CNF. The enhanced conversion efficiency of CP-25 is attributed to the accomplishment of high conductivity and surface area of PEDOT through the 1-D alignment compared to its bulk counterpart. Reduced charge transfer resistance and high conductivity of CP-25 could be proven by cyclic voltammetry, impedance analysis and Tafel experiments. Further, through a long-term stability test involving efficiency profiling for 20 days, it is observed that CP-25 possesses excellent durability compared to the bulk PEDOT.

}, issn = {2040-3364}, doi = {10.1039/c4nr00717d}, author = {Anothumakkool, Bihag and Game, Onkar S. and Bhange, Siddheshwar N. and Kumari, Tanya and Ogale, Satishchandra B. and Kurungot, Sreekumar} } @article { ISI:000338806600067, title = {Enhanced kinetics for the clathrate process in a fixed bed reactor in the presence of liquid promoters for pre-combustion carbon dioxide capture}, journal = {Energy}, volume = {70}, year = {2014}, month = {JUN}, pages = {664-673}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this work, we present enhanced kinetics of hydrate formation for the clathrate process in the presence of two liquid promoters namely THF (tetrahydrofuran) and TBAB (tetra-n-butyl ammonium bromide) in a FBR (fixed bed reactor) for pre-combustion capture of CO2. Silica sand was used as a medium to capture CO2 from CO2/H-2 gas mixture by hydrate crystallisation. Experiments were performed at different temperatures (274.2 K and 279.2 K) and 6.0 MPa to determine the total gas uptake, induction time and rate of hydrate formation. The observed trends indicated that higher driving force resulted in higher gas consumption and significantly reduced induction time. For the same driving force, higher gas consumption and shorter induction time was achieved by THF as compared to TBAB. 5.53 mol\% THF attained higher gas consumption than 1.0 mol\% THF whereas 3.0 mol\% TBAB attained lower gas consumption than 0.3 mol\% TBAB. A highest gas uptake of 51.95 (+/- 5.183) mmol of gas/mol of water and a highest rate of 51.21(+/- 8.91) mol.min(-1).m(-3) were obtained for 5.53 mol\% THF at 6.0 MPa and 279.2 K. Overall, this study indicated better hydrate formation kinetics with the use of THF in an FBR configuration for CO2 capture from a fuel gas mixture. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Clathrate process, Fixed bed reactor, Gas hydrates, Pre-combustion capture, Promoters}, issn = {0360-5442}, doi = {10.1016/j.energy.2014.04.053}, author = {Babu, Ponnivalavan and Ho, Chie Yin and Kumar, Rajnish and Linga, Praveen} } @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:000336254200003, title = {Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement}, journal = {CrystEngComm}, volume = {16}, number = {22}, year = {2014}, month = {JUN}, pages = {4677-4680}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three Co based Zeolitic Imidazolate Frameworks (Co-ZIF-68, -69 and -81) which adopt a GME topology with high porosity have been synthesized. These Co-ZIFs show high CO2 (273 K/298 K) uptake compared to their isostructural Zn based analogues, which has been proved experimentally as well as by ab initio calculations.

}, issn = {1466-8033}, doi = {10.1039/c3ce42075b}, author = {Panda, Tamas and Gupta, Krishna M. and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000343018200079, title = {Enhancing cubosome functionality by coating with a single layer of poly-epsilon-lysine}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {19}, year = {2014}, month = {OCT}, pages = {17126-17133}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the preparation and characterization of monoolein cubosomes that can be easily surface modified through adsorption of a single layer of cationic poly-epsilon-lysine. Poly-epsilon-lysine coated cubosomes show remarkable stability in serum solution, are nontoxic and, are readily internalized by HeLa cells. The poly-epsilon-lysine coating provides chemical handles for further bioconjugation of the cubosome surface. We also demonstrate that the initial release rate of a hydrophilic drug, Naproxen sodium, from the cubosomes is retarded with just a single layer of polymer. Interestingly, cubosomes loaded with Naproxen sodium, recently shown to have anticancer properties, cause more apoptosis in HeLa cells when compared to free unencapsulated drug.

}, keywords = {bioconjugation, cubosomes, drug delivery vehicle, dual loading, theranostics}, issn = {1944-8244}, doi = {10.1021/am5047872}, author = {Deshpande, Sonal and Venugopal, Edakkal and Ramagiri, Shobha and Bellare, Jayesh R. and Kumaraswamy, Guruswamy and Singh, Neetu} } @article { ISI:000328527000041, title = {Esterification of levulinic acid to ethyl levulinate over bimodal micro-mesoporous H/BEA zeolite derivatives}, journal = {Catalysis Communications}, volume = {43}, year = {2014}, month = {JAN}, pages = {188-191}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of bimodal micro-mesoporous H/BEA zeolite derivatives were prepared by the post-synthesis modification of H/BEA zeolite by NaOH (0.05 M-1.2 M) treatment Samples were characterized by powder XRD, low temperature nitrogen adsorption/desorption, temperature programmed desorption of ammonia and ICP. The mesopore formation was found to play a crucial role in liquid phase esterification of levulinic acid with ethanol. The enhanced catalytic activity of a bimodal micro-mesoporous H/BEA zeolite derivative (H/BEA(0.10)) prepared by treatment with 0.1M NaOH can be mainly attributed to the high mesoporosity coupled with better preserved crystallinity and acidic properties. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Esterification, ethyl levulinate, H/BEA zeolite, Mesoporosity, Post-synthesis modification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.10.006}, author = {Patil, C. R. and Niphadkar, P. S. and Bokade, Vijay V. and Joshi, P. N.} } @article { ISI:000341764500007, title = {Esterification of renewable levulinic acid to ethyl levulinate biodiesel catalyzed by highly active and reusable desilicated H-ZSM-5}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {89}, number = {10}, year = {2014}, month = {OCT}, pages = {1507-1515}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

BACKGROUNDIn the near future, fossil fuel will have limitations in terms of availability and also great concerns over its environmental impact. New routes and related technologies based on renewable feedstocks can overcome most of these problems associated with fossil fuel. Among current biodiesel sources, ethyl levulinate (EL) biodiesel obtained from catalytic esterification of renewable levulinic acid (LA) with ethanol has received a great deal of attention. The use of desilicated H-ZSM-5 (DH-ZSM-5) as heterogeneous acid catalyst for EL biodiesel production in a closed system (under autogeneous pressure) was studied. RESULTSThe effect of reaction parameters such as ethanol to LA molar ratio (4:1 to 10:1), catalyst to LA ratio (0.10-0.25), speed of agitation (100-400rpm), particle size (53-355 mu m), reaction temperature (363-403K) and reaction time (7h) was investigated to maximize LA conversion. CONCLUSIONLevulinic acid conversion reached 95\% over DH-ZSM-5 and the catalyst was reusable for up to six cycles. This LA conversion and the catalyst reusability values are higher than others reported in the literature. A pseudo-homogeneous (P-H) kinetic model indicated that reaction rate constants increased with increasing molar ratio, catalyst to LA ratio and reaction temperature. The activation energy decreased from 73.14 to 21.08 kJ mol(-1) when increasing the catalyst to LA ratio from 0.10 to 0.25, which implies a kinetically controlled reaction. (c) 2013 Society of Chemical Industry

}, keywords = {desilicated H-ZSM-5, Esterification, ethyl levulinate, levulinic acid}, issn = {0268-2575}, doi = {10.1002/jctb.4228}, author = {Nandiwale, Kakasaheb Y. and Niphadkar, Prashant S. and Deshpande, Shilpa S. and Bokade, Vijay V.} } @article { ISI:000346371700012, title = {Evaluation of genetic variability in Symplocos laurina Wall. from two biodiversity hotspots of India}, journal = {Plant Systematics and Evolution}, volume = {300}, number = {10}, year = {2014}, month = {DEC}, pages = {2239-2247}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {

Symplocos laurina Wall., an important medicinal tree species, is one of the pioneering plants for establishment of shola forest ecosystem. We analyzed 208 accessions of S. laurina from 13 populations belonging to three ecoregions in India namely, Western Ghats, Eastern Ghats and Northeast India, to comment on the genetic diversity and population structure of the species. Of the 100 inter simple sequence repeat primers screened, eight were selected based on their clear and reproducible polymorphic patterns. These eight ISSR primers produced on an average 1,014 bands from 208 accessions, of which 6.58 \% were rare bands, 55.96 \% were shared bands and 37.46 \% were similar bands. The primers, UBC835 and UBC880, amplified the highest number of polymorphic loci (16), while the primer UBC852 amplified the least number of amplicons (9). The values for total genetic diversity (H-T) and the average heterozygosity (H-S) were 0.3407 and 0.2263, respectively; while the coefficient of genetic differentiation (G(ST)) was 0.3358. Within-population variance was higher (68 \%) than among-population variance (17 \%), indicating high intra-population genetic diversity. These populations were grouped according to their geographical location in cluster analysis. Mantel test also showed significant positive correlation between genetic and geographical distances. The present study revealed the importance of the Palghat gap in South India in shaping the distribution of genetic diversity in S. laurina.

}, keywords = {Biodiversity hotspots, Genetic diversity, ISSR, Palghat gap, Symplocos laurina}, issn = {0378-2697}, doi = {10.1007/s00606-014-1046-4}, author = {Bhagwat, Rasika M. and Banu, Sofia and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Lagu, Meena D. and Gupta, Vidya S.} } @article { ISI:000327771500117, title = {Evaluation of n-type ternary metal oxide NiMn2O4 nanomaterial for humidity sensing}, journal = {Sensors and Actuators B-Chemical}, volume = {191}, year = {2014}, month = {FEB}, pages = {837-843}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Synthesis of mono-dispersed oleic acid (OA) capped NiMn2O4 (NMO) nanoparticles and their use for humidity sensing is reported. Oleic acid capped NMO (NMO-cOA) nanoparticles are synthesized from nickel oleate and manganese oleate complex. NiMn2O4 is obtained by removing oleic acid capping at 500 degrees C in air. X-ray diffraction analysis shows formation of pure NiMn2O4 phase which is also confirmed by HRTEM-SAED analysis. The TEM analysis also shows that the nanoparticles are nearly mono-dispersed. Doctor bladed films of NMO nanoparticles are seen to exhibit excellent humidity sensing property. The resistivity is seen to change by two orders with humidity change from 11\% RH to 92\% RH with fairly good linearity over the entire range. The response and recovery times are also fast. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Humidity, Impedance, Nanoparticles, NiMn2O4, Oleic acid, Sensor}, issn = {0925-4005}, doi = {10.1016/j.snb.2013.10.071}, author = {Gawli, Yogesh and Badadhe, Satish S. and Basu, Aniruddha and Guin, Debanjan and Shelke, Manjusha V. and Ogale, Satishchandra} } @article { ISI:000341831600037, title = {Evolution of an adenine-copper cluster to a highly porous cuboidal framework: solution-phase ripening and gas-adsorption properties}, journal = {Chemistry-A European Journal}, volume = {20}, number = {38}, year = {2014}, month = {SEP}, pages = {12262-12268}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis and directed evolution of a tetranu-clear copper cluster, supported by 8-mercapto-N9-propyladenine ligand, to a highly porous three-dimensional cubic framework in the solid state is reported. The structure of this porous framework was unambiguously characterized by Xray crystallography. The framework contains about 62\% solvent-accessible void; the presence of a free exocyclic amino group in the porous framework facilitates reversible adsorption of gas and solvent molecules. Oriented growth of framework in solution was also tracked by force and scanning electron microscopy studies, leading to identification of an intriguing ripening process, over a period of 30 days, which also revealed formation of cuboidal aggregates in solution. The elemental composition of these cuboidal aggregates was ascertained by EDAX analysis.

}, keywords = {cuboidal frameworks, gas adsorption, metal-organic frameworks, Ostwald ripening, solution-phase ripening}, issn = {0947-6539}, doi = {10.1002/chem.201403115}, author = {Venkatesh, V. and Pachfule, Pradip and Banerjee, Rahul and Verma, Sandeep} } @article { ISI:000338434800028, title = {Exceptionally high yields of furfural from assorted raw biomass over solid acids}, journal = {RSC Advances}, volume = {4}, number = {50}, year = {2014}, month = {MAY}, pages = {26215-26221}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Development of stable and recyclable solid acid catalysts in the efficient valorisation of hemicellulose to yield C-5 sugars and furfural is vital to boost the prospects of using lignocelluloses for chemicals synthesis. Using an silicoaluminophosphate, namely SAPO-44, as a catalyst, an environmentally benign process of furfural synthesis from diversified real substrates (without any treatment or the need for separation of its components) is shown. In an efficient one-pot methodology, at 443 K and in the presence of a biphasic solvent system, selective conversions of hemicelluloses from raw biomass (bagasse, rice husk and wheat straw) to extraordinarily high yields of furfural of about 93\% were attainable. Under similar reaction conditions, an 82\% yield of furfural is also achievable directly from isolated hemicellulose within 10 h. Hydrophilic SAPO-44, having higher hydrothermal stability, showed similar activity for all the substrates for a minimum of up to 8 times in recycling runs. Various physicochemical characterizations (X-ray diffraction, thermogravimetric analysis-derivative thermogravimetry, temperature programmed desorption-NH3, N-2 sorption, solid-state nuclear magnetic resonance spectroscopy) of fresh and spent catalysts were used to improve SAPO-44 stability.

}, issn = {2046-2069}, doi = {10.1039/c4ra04119d}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000345272700002, title = {Excited state geometry optimisation using fock-space multi-reference coupled cluster method}, journal = {Molecular Physics}, volume = {112}, number = {22}, year = {2014}, month = {NOV}, pages = {2884-2891}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The Fock-space multi-reference coupled cluster method is used for the geometry optimisation of the low-lying excited states of the molecules. Molecular geometries of the carbon monohydride cation (CH)(+), water (H2O), ozone (O-3) and formaldehyde (HCHO) in their low-lying excited states are optimised. Excited state gradients are calculated using finite field multi-reference coupled cluster method. We compare our results with other theoretical and/or experimental results, wherever available.

}, keywords = {adiabatic excitation energy, excited state, Fock-space multi-reference coupled cluster, geometry optimisation, numerical derivative}, issn = {0026-8976}, doi = {10.1080/00268976.2014.915997}, author = {Dutta, Achintya Kumar and Bhattacharya, Sumantra} } @article { ISI:000343067700009, title = {Experimental determination of the electrostatic nature of carbonyl hydrogen-bonding interactions using IR-NMR correlations}, journal = {Journal of Physical Chemical Letters}, volume = {5}, number = {18}, year = {2014}, month = {AUG}, pages = {3211-3215}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrogen-bonding plays a fundamental role in the structure, function, and dynamics of various chemical and biological systems. Understanding the physical nature of interactions and the role of electrostatics in hydrogen-bonding has been the focus of several theoretical and computational research. We present an experimental approach involving IR-C-13 NMR correlations to determine the electrostatic nature of carbonyl hydrogen-bonding interactions. This report provides a direct experimental evidence of the classical nature of hydrogen-bonding interaction in carbonyls, independent of any theoretical approximation. These results have important implications in chemistry and biology and can be applied to probe the reaction mechanisms involving carbonyl activation/stabilization by hydrogen bonds using spectroscopic techniques.

}, issn = {1948-7185}, doi = {10.1021/jz501613p}, author = {Kashid, Somnath M. and Bagchi, Sayan} } @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 { ISI:000341065800011, title = {Facile method for the synthesis of Co-core Au-shell nanohybrid}, journal = {New Journal Of Chemistry}, volume = {38}, number = {9}, year = {2014}, month = {SEP}, pages = {4107-4114}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Heterostructured Co-Au core-shell nanoparticles have been synthesized by reducing AuCl4- ions on cobalt nanoparticles after a minor but effective modification of cobalt surface by an amine. The core shell morphology is emphatically confirmed by thorough investigation through UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopic analysis (TEM). The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirms the surface modification of Co nanoparticles and the interactions involved between the ligands and the core and shell metals at various steps of the synthetic process. The magnetic properties confirm the material to be superparamagnetic in nature.

}, issn = {1144-0546}, doi = {10.1039/c4nj00733f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000332144600065, title = {Facile single-step synthesis of nitrogen-doped reduced graphene oxide-Mn3O4 hybrid functional material for the electrocatalytic reduction of oxygen}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {4}, year = {2014}, month = {FEB}, pages = {2692-2699}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of efficient electrocatalyst based on non-precious metal that favors the four-electron pathway for the reduction of oxygen in alkaline fuel cell is a challenging task. Herein, we demonstrate a new facile route for the synthesis of hybrid functional electrocatalyst based on nitrogen-doped reduced graphene oxide (N-rGO) and Mn3O4 with pronounced electrocatalytic activity towards oxygen reduction reaction (ORR) in alkaline solution. The synthesis involves one-step in situ reduction of both graphene oxide (GO) and Mn(VII), growth of Mn3O4 nanocrystals and nitrogen doping onto the carbon framework using a single reducing agent, hydrazine. The X-ray photoelectron (XPS), Raman and FTIR spectral, and X-ray diffraction measurements confirm the reduction of GO and growth of nanosized Mn3O4. The XPS profile reveals that N-rGO has pyridinic (40\%), pyrrolic (53\%), and pyridine N oxide (7\%) types of nitrogen. The Mn3O4 nanoparticles are single crystalline and randomly distributed over the wrinkled N-rGO sheets. The hybrid material has excellent ORR activity and it favors the 4-electron pathway for the reduction of oxygen. The electrocatalytic performance of the hybrid catalyst is superior to the N-rGO, free Mn3O4 and their physical mixture. The hybrid material shows an onset potential of -0.075 V, which is 60-225 mV less negative than that of the other catalyst tested. It has excellent methanol tolerance and high durability. The catalytic current density achieved with the hybrid material at 0.1 mg cm(-2) is almost equivalent to that of the commercial Pt/C (10\%). The synergistic effect of N-rGO and Mn3O4 enhances the overall performance of the hybrid catalyst. The nitrogen in N-rGO is considered to be at the interface to bridge the rGO framework and Mn3O4 nanoparticles and facilitates the electron transfer.

}, keywords = {electrocatalysis, hybrid material, Mn3O4, nitrogen-doped graphene, oxygen reduction, synergistic effect}, issn = {1944-8244}, doi = {10.1021/am405213z}, author = {Bag, Sourav and Roy, Kanak and Gopinath, Chinnakonda S. and Raj, C. Retna} } @article { ISI:000342117600027, title = {Facile synthesis of gamma-ketophosphonates by an intermolecular stetter reaction onto vinylphosphonates}, journal = {Organic Letters}, volume = {16}, number = {18}, year = {2014}, month = {SEP}, pages = {4798-4801}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The atom-economic and practical N-heterocyclic carbene (NHC) catalyzed Stetter reaction for the synthesis of gamma-ketophosphonates by the reaction of aromatic aldehydes with vinylphosphonates is reported. The NHC derived from N-mesitylimidazolium salt (IMes) was an effective catalyst for this transformation, and the products were formed in moderate to good yields.

}, issn = {1523-7060}, doi = {10.1021/ol502262d}, author = {Patra, Atanu and Bhunia, Anup and Biju, Akkattu T.} } @article { ISI:000328956700038, title = {Film forming polymeric ionic liquids (PILs) based on polybenzimidazoles for CO2 separation}, journal = {RSC Advances}, volume = {4}, number = {9}, year = {2014}, month = {JAN}, pages = {4500-4503}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

PILs are emerging as promising materials for CO2 capture. Film formation, which is a requisite for membrane formation, is induced in a family of PILs by N-substituting a rigid thermo-mechanically stable polybenzimidazole, followed by metathesis. This provided two IL groups per repeat unit of the PIL and enhanced the CO2 separation characteristics.

}, issn = {2046-2069}, doi = {10.1039/c3ra44632h}, author = {Kumbharkar, Santosh C. and Bhavsar, Rupesh S. and Kharul, Ulhas K.} } @article { ISI:000332208200024, title = {Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N, N {\textquoteleft} linkers}, journal = {CrystEngComm}, volume = {16}, number = {11}, year = {2014}, month = {DEC}, pages = {2305-2316}, abstract = {

{Dicarboxylate supported metal organic hybrids of Co(II), Zn(II) and Cd(II) have been synthesized using two different pyridyl based N, N{\textquoteright} linkers having Schiff base functionalized site. The use of flexible dicarboxylate glutarate in designing such frameworks has created a marked diversity in topology. The different N, N{\textquoteright} donor linkers also played an active part in the channel modification in the synthesized MOFs. The structural and topological diversity has been analyzed from the single crystal X-ray structure. Five compounds, {[Co(azpy)(glut)]center dot(CH3OH)}(n) (1), {[Co(meazpy)(glut)(H2O)(2)]center dot (H2O)(3)

}, author = {Dey, Rajdip and Bhattacharya, Biswajit and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI: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:000338353000004, title = {Glycerol etherification using n-butanol to produce oxygenated additives for biodiesel fuel over H-beta zeolite catalysts}, journal = {Energy Technology}, volume = {2}, number = {5}, year = {2014}, month = {MAY}, pages = {446-452}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The catalytic etherification of glycerol has been systematically studied in batch process by using n-butanol to produce oxygenated additives for biodiesel fuels over various solid-acid catalysts, such as H-beta zeolite, ZSM-5, K10, etc.. The present work includes a detailed study of the optimization of the etherification process parameters, such as catalyst loading (7-20 wt\% of glycerol), molar ratio of glycerol/n-butanol (1: 6 to 1: 15), speed of agitation (100-400 rpm), reaction temperature (413-453 K), and reaction time (0.5-4 h) in view of maximizing the glycerol conversion and selectivity towards mono-butyl-glycerol ether (ME). The catalyst reusability was studied using the optimized process parameters. Amongst the studied catalysts, the H-beta zeolite was found to be the most promising for the etherification of glycerol with glycerol conversion of 55\% and a 98\% selectivity towards ME formation. The H-beta zeolite was found to be an active and stable catalyst for up to 4 cycles. The use of n-butanol as alkylating agent is presented for first time, to the authors knowledge. The reaction was performed at milder operating conditions (0.5 MPa) than previously reported (2 MPa). A kinetic model was developed for the etherification reaction and the data obtained at optimized process parameters was used to calculate the kinetic parameters. The reaction rate constants at different reaction temperatures, activation energies, and pre-exponential factors were obtained for the etherification reaction with an accuracy of R-2 \> 0.989.

}, keywords = {biofuels, catalysis, etherification, fuel additives, zeolites}, issn = {2194-4288}, doi = {10.1002/ente.201300169}, author = {Nandiwale, Kakasaheb Y. and Patil, Shivraj E. and Bokade, Vijay V.} } @article { ISI:000339802300026, title = {High charge carrier mobility in two dimensional indium (iii) isophthalic acid based frameworks}, journal = {Proceedings of the National Academy of Sciences India Section A-Physical Sciences}, volume = {84}, number = {2, SI}, year = {2014}, month = {JUN}, pages = {331-336}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, abstract = {

The effect of dimensionality (1D to 2D) on charge carrier mobility have been studied thoroughly on three In(III)-isophthalate based MOFs [In-IA-1D, In-IA-2D-1 and -2]. In-IA-1D possess 1D nanotubular architecture with [(CH3)(2)NH2](+). In-IA-2D-1 have 2D layers containing only [(CH3)(2)NH2](+) cations. Whereas, In-IA-2D-2 have [(CH3)(2)NH2](+) cations as well as solvent DMF molecule inside the crystal structure. Due to presence of the pi-pi stacking arrangement among the phenyl rings of IA moieties facilitates the high charge carrier mobility (4.6 x 10(-3) cm(2) V-1 s(-1) at V-G = -40 V) in In-IA-2D-2. However, In-IA-1D and In-IA-2D-1 does not show any charge carrier mobility due to absence of pi-pi stacking arrangement.

}, keywords = {Charge carrier mobility, Coordination chemistry, metal organic framework, pi-pi stacking}, issn = {0369-8203}, doi = {10.1007/s40010-014-0152-6}, author = {Panda, Tamas and Banerjee, Rahul} } @article {PACHFULE, title = {Highly stable covalent organic framework-Au nanoparticles hybrids for enhanced activity for nitrophenol reduction}, journal = {Chemical Communications}, volume = {50}, number = {24}, year = {2014}, month = {JAN}, pages = {3169-3172}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Gold [

}, issn = {1359-7345}, doi = {10.1039/c3cc49176e}, author = {Pachfule, Pradip and Kandambeth, Sharath and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000344978200061, title = {Hollow Co0.85Se nanowire array on carbon fiber paper for high rate pseudocapacitor}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {21}, year = {2014}, month = {NOV}, pages = {18844-18852}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A supercapacitor electrode is fabricated with Co0.85Se hollow nanowires (HNW) array, which is synthesized by wet chemical hydrothermal selenization of initially grown cobalt hydroxyl carbonate nanowires on conductive CFP. The dense self-organized morphology of Co0.85Se HNWs is revealed by scanning/transmission electron microscopy. The as-synthesized Co0.85Se HNWs possess high pseudocapacitive property with high capacitance retention and high durability. The areal capacitance value is seen to vary from 929.5 to 600 mF cm(-2) (60\% retention) as the current density is increased from 1 to 15 mA cm(-2), an increase of a factor of 15. Based on mass loading, this corresponds to a very high gravimetric capacitance of 674 (for 2 mA cm(-2) or 1.48 Ag-1) and 444 Fg(1-) (for 15 mA cm(-2) or 11 A g(-1)) in a full-cell configuration with the Co0.85Se HNWs as cathode and activated carbon as anode (asymmetric configuration) promising results are obtained.

}, keywords = {asymmetric supercapacitor, carbon fiber paper, cobalt selenide, hydrothermal, pseudocapacitor, selenization}, issn = {1944-8244}, doi = {10.1021/am504333z}, author = {Banerjee, Abhik and Bhatnagar, Sumit and Upadhyay, Kush Kumar and Yadav, Prasad and Ogale, Satishchandra} } @article { ISI:000332835300494, title = {Homogeneous water oxidation using peroxidase mimic [Fe-III(biuret-amide)] and analyte detection via signal amplification}, journal = {Journal of Biological Inorganic Chemistry}, volume = {19}, number = {1}, year = {2014}, note = {16th International Conference on Biological Inorganic Chemistry (ICBIC), Grenoble, FRANCE, JUL 22-26, 2013}, month = {MAR}, pages = {S557}, publisher = {Int Organizing Comm; Natl Organizing Comm; SBIC; Veolia Environm; Arcane; Grenoble Innovat Adv New Technologies; LOREAL; Soc Chimique France; CEA, Life Sci Div; SHIMADZU; High Tech Mat; CEA, Div Matter Sci; IFP Energies Nouvelles; Univ Joseph Fourier; Spr}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0949-8257}, author = {Panda, C. and Dhar, B. B. and Ghosh, Munmun and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sengupta, S.} } @article {CSIR, title = {Hydrogenation of polar bonds catalysed by ruthenium-pincer complexes}, journal = {Ruthenium in Catalysis}, volume = {48}, number = {5}, year = {2014}, note = {3rd International Conference on Advances in Computing, Communications and Informatics (ICACCI), New Delhi, INDIA, SEP 24-27, 2014}, month = {MAR}, pages = {19-43}, publisher = {IEEE Commun Soc; IEEE Syst Man \& Cybernet Soc; Galgotias Coll Engn \& Technol; Hochschule Offenburg Univ Appl Sci; Int Neural Network Soc; India Chapter \& Res Publishing Serv; Madhyam; WizIQ; ICACCI; IEEE}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {

Catalytic hydrogenation of polar bonds using molecular hydrogen is an important, atom-economical synthetic reaction. Classical reduction methods of polar bond often require reactive metal-hydride reagents in stoichiometric amount and produce copious waste. Hydrogenation of carbonyl compounds in particular provides {\textquoteleft}green{\textquoteright} approaches to synthetically important building blocks, such as alcohols and amines. We have designed and synthesized several ruthenium-based pincer catalysts for unprecedented hydrogenation reactions including: (1) amides to alcohols and amines, (2) biomass-derived di-esters to 1,2-diols and (3) CO2 and CO derivatives to methanol. These atom-economical reactions operate under neutral, homogeneous conditions, at mild temperatures, mild hydrogen pressures, and can operate in absence of solvent with no generation of waste. The postulated mechanisms involve metal-ligand cooperation (MLC) by aromatization-dearomatization of the heteroaromatic pincer core.

}, keywords = {Amides, Carbon dioxide, Esters, Hydrogen, Hydrogenation, Metal-ligand cooperation, Pincer complexes, ruthenium}, isbn = {978-3-319-08482-4; 978-3-319-08481-7}, issn = {1436-6002}, doi = {10.1007/3418_2014_77}, author = {Balaraman, Ekambaram and Milstein, David}, editor = {Bruneau, C. and Dixneuf, P. H.} } @inbook {43343, title = {Hydrophobically Modified Chitosan}, booktitle = {Hydrophobically Modified Chitosan}, volume = {19}, year = {2014}, pages = {91-102}, chapter = {Advances in Planar Lipid Bilayers and Liposomes }, abstract = {

Hydrophobically modified chitosan was prepared using the hydrophobic compound derived from natural resource material such as cashew nut shell liquid. Chitosan was modified using 3-pentadecyl cyclohexane carbaldehyde to different extents (2, 3, and 5 mol\%). Solution properties of hydrophobically modified chitosan were studied by rheology and light scattering. These indicated the aggregation behavior above the critical association concentration. Further, it was concluded that above the critical association concentration, the dynamics of the network formed due to the associations slowed down significantly.

}, doi = {10.1016/B978-0-12-418699-6.00004-7}, author = {Shedge, Aarti S. and Badiger, Manohar V.} } @article {45978, title = {Identification of the Zn substitution sites in La-Zn substituted SrAl12O19 from Al-27 solid-state NMR studies}, journal = {Journal of the American Ceramic Society}, volume = {97}, year = {2014}, month = {SEP}, pages = {2990-2995}, type = {Article}, abstract = {

The La-Zn substituted hexagonal strontium aluminate, Sr1-xLaxAl12-xZnxO19, with the magnetoplumbite structure and having five different coordination environments for Al with different symmetries, is investigated using Al-27 solid-state NMR to get detailed information on the sites of substitution of Zn and the associated changes in the local coordination environments of Al. The objective of the study was to get information on the local structural variations in the isostructural La-Co substituted strontium ferrite, Sr1-xLaxFe12-xCoxO19, showing enhanced magnetic performance on substitution. The NMR studies on the aluminate give direct evidence for the sites of substitution and the changes in the local coordination environments. It is found that Zn is substituted at the 2a and 4f(2) AlO6 octahedral sites. However, an interesting observation from the NMR studies is the stabilization of the Al site occupancy at the penta-coordinated 2b site over the distorted tetrahedral 4eAl site, without any substitution at these sites. Large changes in the quadrupolar coupling constant of the 2a and 4e sites are observed between x=0.2 and 0.3, corresponding to the compositional region showing higher performance in the case of Sr1-xLaxFe12-xCoxO19, indicating the role of distortion of local coordination environments on suitable substitution in controlling the performance parameters.

}, issn = {0002-7820}, doi = {10.1111/jace.13029}, author = {Baby, Bindhu and Dey, Krishna K. and Ajithkumar, Thalasseril G. and Joy, Pattayil A.} } @article { ISI:000330999600057, title = {IFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, number = {6}, year = {2014}, month = {FEB}, pages = {2301-2306}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Cellular homeostasis is an outcome of complex interacting processes with nonlinear feedbacks that can span distinct spatial and temporal dimensions. Skin tanning is one such dynamic response that maintains genome integrity of epidermal cells. Although pathways underlying hyperpigmentation cascade are recognized, negative feedback regulatory loops that can dampen the activated melanogenesis process are not completely understood. In this study, we delineate a regulatory role of IFN-gamma in skin pigmentation biology. We show that IFN-gamma signaling impedes maturation of the key organelle melanosome by concerted regulation of several pigmentation genes. Withdrawal of IFN-gamma signal spontaneously restores normal cellular programming. This effect in melanocytes is mediated by IFN regulatory factor-1 and is not dependent on the central regulator microphthalmia-associated transcription factor. Chronic IFN-gamma signaling shows a clear hypopigmentation phenotype in both mouse and human skin. Interestingly, IFN-gamma KO mice display a delayed recovery response to restore basal state of epidermal pigmentation after UV-induced tanning. Together, our studies delineate a new spatiotemporal role of the IFN-gamma signaling network in skin pigmentation homeostasis, which could have implications in various cutaneous depigmentary and malignant disorders.

}, keywords = {detanning, gene regulation, interferon, melanin}, issn = {0027-8424}, doi = {10.1073/pnas.1304988111}, author = {Natarajan, Vivek T. and Ganju, Parul and Singh, Archana and Vijayan, Vinaya and Kirty, Kritika and Yadav, Shalini and Puntambekar, Shraddha and Bajaj, Sonali and Dani, Prachi P. and Kar, Hemanta K. and Gadgil, Chetan J. and Natarajan, Krishnamurthy and Rani, Rajni and Gokhale, Rajesh S.} } @article { ISI:000330603800033, title = {Immobilization of bile salt hydrolase enzyme on mesoporous SBA-15 for co-precipitation of cholesterol}, journal = {International Journal of Biological Macromolecules}, volume = {63}, year = {2014}, month = {FEB}, pages = {218-224}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We describe herein a simple and effective strategy for immobilization of bile salt hydrolase enzyme by grafting glutaraldehyde groups inside channels of APTES functionalized SBA-15. The increase in glutaraldehyde concentration prevents leakage of enzyme but showed a steep decrease in enzyme activity in the immobilized matrix. So the degree of cross-linking should be the minimum possible to ensure sufficient stability without loss of activity. Cross-linking carried out with 0.1\% glutaraldehyde concentration showed the highest activity, so this was used in all further experiments. Physico-chemical characterizations of the immobilized enzyme were carried out by XRD, N-2 adsorption, TEM, FUR and Si-29 CP-MAS NMR techniques. Immobilized BSH exhibits enhanced stability over a wide pH (3-11) and temperature range (40-80 degrees C) and retains an activity even after recycling experiments and six months of storage. From our in vivo research experiment toward co-precipitation of cholesterol, we have shown that immobilized BSH enzyme may be the promising catalyst for the reduction of serum cholesterol levels in our preliminary investigation. Enhancement in pH stability at the extreme side of pH may favor the use of immobilized BSH enzyme for drug delivery purpose to with stand extreme pH conditions in the gastrointestinal conditions. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Bile salt hydrolase, Co-precipitation of cholesterol, SBA-15}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.11.008}, author = {Bhange, Pallavi and Sridevi, N. and Bhange, Deu S. and Prabhune, Asmita and Ramaswamy, Veda} } @article { ISI:000331953400004, title = {Immune response to chemically modified proteome}, journal = {Proteomics Clinical Applications}, volume = {8}, number = {1-2, SI}, year = {2014}, month = {FEB}, pages = {19-34}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Both enzymatic and nonenzymatic PTMs of proteins involve chemical modifications. Some of these modifications are prerequisite for the normal functioning of cell, while other chemical modifications render the proteins as neo-self antigens, which are recognized as non-self leading to aberrant cellular and humoral immune responses. However, these modifications could be a secondary effect of autoimmune diseases, as in the case of type I diabetes, hyperglycemia leads to protein glycation. The enigma of chemical modifications and immune response is akin to the chick-and-egg paradox. Nevertheless, chemical modifications regulate immune response. In some of the well-known autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematosus, and multiple sclerosis, chemically modified proteins act as autoantigens forming immune complexes. In some instances, chemical modifications are also involved in regulating immune response during pathogen infection. Further, the usefulness of proteomic analysis of immune complexes is briefly discussed.

}, keywords = {Autoantibody, Autoimmune diseases, Immune complex, Immunoproteomics, PTMs}, issn = {1862-8346}, doi = {10.1002/prca.201300068}, author = {Bhat, Shweta and Mary, Sheon and Banarjee, Reema and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article { ISI:000347579200048, title = {Impact of experimental pressure and temperature on semiclathrate hydrate formation for pre-combustion capture of CO2 using tetra-n-butyl ammonium nitrate}, journal = {Energy}, volume = {78}, number = {SI}, year = {2014}, month = {DEC}, pages = {458-464}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

TBANO(3) (tetra-n-butyl ammonium nitrate) is a promising liquid phase promoter for capturing CO2 via HBGS (hydrate based gas separation) technology. In this study, the impact of experimental pressure and temperature on formation of mixed CO2-H-2-TBANO(3) semiclathrate hydrate for the optimum 1.0 mol\% TBANO(3) reported by Babu et al. [1] was investigated. Experimental pressures of 3.0, 4.5 and 6.0 MPa and temperatures of 274.2, 276.2 and 278.2 K were employed. Irrespective of the experimental pressure, shorter induction time was observed for experiments conducted at 274.2 K when compared to the experiments at other temperatures. At a given pressure, the total gas uptake increased with increase in experimental temperature. Similarly at a given temperature, the total gas uptake increases with an increase in pressure. Higher rate of hydrate formation was observed at experimental pressure of 6.0 MPa than at 3.0 and 4.5 MPa irrespective of the experimental temperature. The CO2 composition in hydrate was between 87.5 and 93.2 mol\%. Finally, the gas consumption for 1.0 mol\% TBANO(3) as promoter was much higher than other promoters of quaternary salts like tetra-n-butyl ammonium bromide and tetra-n-butyl ammonium fluoride at comparable concentration and driving force. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Semi-clathrates}, issn = {0360-5442}, doi = {10.1016/j.energy.2014.10.033}, author = {Babu, Ponnivalavan and Datta, Stuti and Kumar, Rajnish and Linga, Praveen} } @conference { ISI:000375936100396, title = {Impact of pressure and temperature on tetra-n-butyl ammonium bromide semi-clathrate process for carbon dioxide capture}, booktitle = {International Conference on Applied Energy, ICAE2014}, series = {Energy Procedia}, volume = {61}, year = {2014}, note = {6th International Conference on Applied Energy (ICAE), Taipei, TAIWAN, MAY 30-JUN 02, 2014}, month = {MAY}, pages = {1780-1783}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

The pre-combustion capture of CO2 in an IGCC power plant employing the hydrate based gas separation (HBGS) process is a novel method currently receiving attention around the world. Tetra-n-butyl ammonium bromide (TBAB) is a promoter that has been shown to improve the efficiency of hydrate formation. In this study, the effect of temperature and pressure on 0.3 mol\% TBAB solution is investigated. The induction time for the experiments conducted at 6.0 MPa and 274.8 K was found to be lower, while nucleation became increasingly random as temperature is increased and pressure is reduced. Total gas uptake and normalized rate of hydrate formation (NR5) is also the highest for the experiments conducted at 6.0 MPa and 274.8 K. However, it was found that the hydrate phase CO2 composition remains relatively constant at both reduced temperatures and pressures. (C) 2014 The Authors. Published by Elsevier Ltd.

}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Gas separation, Promoters, tetra-n-butyl ammonium bromide}, issn = {1876-6102}, doi = {10.1016/j.egypro.2014.12.211}, author = {Babu, Ponnivalavan and Chin, Weng Inn and Kumar, Rajnish and Linga, Praveen}, editor = {Yan, J. and Lee, D. J. and Chou, S. K. and Desideri, U. and Li, H.} } @article {43228, title = {In situ characterisation of nanoscale electromechanical properties of quasi-two-dimensional MoS2 and MoO3, arXiv preprint arXiv}, journal = {Condensed Matter Materials Science}, volume = {1}, year = {2014}, month = {SEP}, abstract = {

Precise manipulation of electronic band structures of two-dimensional (2D) transition metal dichalcogenides and oxides (TMD\&Os) via localised strain engineering is an exciting avenue for exploiting their unique characteristics for electronics, optoelectronics, and nanoelectromechanical systems (NEMS) applications. This work experimentally demonstrates that mechanically-induced electrical transitions can be engineered in quasi-2D molybdenum disulphide (MoS2) and molybdenum trioxide (MoO3) using an in situ electrical nanoindentation technique. It is shown that localised strains on such quasi-2D layers can induce carrier transport alterations, thereby changing their electrical conduction behaviour. Such strain effects offer a potential tool for precisely manipulating the electronic transport properties of 2D TMD\&Os, and understanding the interactions of the atomic electronic states in such layered materials.

}, author = {Walia, Sumeet and Nili, Hussein and Balendhran, Sivacarendran and Late, Dattatray J. and Sriram, Sharath and Bhaskaran, Madhu} } @article { ISI:000344451800020, title = {Interchain relay of antiferromagnetic ordering in 1D Co(II) coordination polymers via pi-pi interactions}, journal = {CrystEngComm}, volume = {16}, number = {36}, year = {2014}, month = {SEP}, pages = {8523-8530}, type = {Article}, doi = {10.1039/c4ce01010h}, author = {Ahmad, Musheer and Das, Raja and Mrozinski, Jerzy and Bienko, Alina and Poddar, Pankaj and Bharadwaj, Parimal K.} } @article { ISI:000341141800050, title = {Investigation of gas permeation properties of film forming polymeric ionic liquids (PILs) based on polybenzimidazoles}, journal = {Journal of Membrane Science}, volume = {470}, year = {2014}, month = {NOV}, pages = {494-503}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymeric ionic liquids (PILs) are emerging as new generation membrane materials for CO2 separation. Gas permeation properties of a recently developed PIL family based on three structurally different polybenzimidazoles (PBIs) possessing excellent film forming characteristics are reported. Effects of cationic backbone and anions on gas permeation properties of PILs using pure gases (He, H-2, N-2, CH4, and CO2) were examined at 20 atm upstream pressure and correlated with their physical properties. In comparison to the parent PBIs, PILs exhibited generally higher CO2 permeability, without largely affecting CO2 based selectivity. Some of these PILs exhibiting high PCO2/PCH4, selectivity and P-H2/P-CO2, approaching similar to 1 indicated dominance of CO2 sorption over diffusion. The CO2 sorption specificity of these PILs was distinctly observed based on their improved S-CO2/S-N2, S-CO2/S-CH4 and S-CO2/S-H2 selectivity than their parent PBIs. A large variation in permeation properties of PILs based on a common polycation but different anions indicated that anions play a crucial role on governing gas permeation properties of these PILs. (C) 2014 Elsevier B.V. All rights reserved

}, keywords = {Gas permeation, Membranes for CO2 separation, Polybenzimidazole, Polymeric ionic liquid}, issn = {0376-7388}, doi = {10.1016/j.memsci.2014.07.076}, author = {Bhavsar, Rupesh S. and Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @article { ISI:000328952500024, title = {Investigations into variations in local cationic environment in layered oxide series InGaO3(ZnO)(m) (m=1-4)}, journal = {Dalton Transactions}, volume = {43}, number = {5}, year = {2014}, month = {NOV}, pages = {2120-2126}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Layered oxides of the series InGaO3(ZnO)(m) (m = 1-4) are interesting due to their structural anisotropy. Here, we report a comprehensive study of their structural details, focusing on the local cationic environment in bulk powder samples by MASNMR and EXAFS, which is hitherto not attempted. It is found that the Ga geometry varies gradually from pure pentacoordinated to a mixture of penta and tetracoordinated with increasing amounts of tetracoordination as we move across the series, contrary to previous reports suggesting exclusively trigonal bipyramidal coordination in all the compounds. A similar observation is also made in the case of Zn and structural evolution involving the dissolution of Ga in a ZnO4 tetrahedral network in a sandwich layer can be discerned, as the insulating ZnO layer size increases.

}, issn = {1477-9226}, doi = {10.1039/c3dt52011k}, author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Ajithkumar, Thalasseril G. and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Dey, Krishna K. and Raja, Thirumalaiswamy and Devi, R. Nandini} } @article { ISI:000340826700002, title = {Isolation, characterization and antihyperlipidemic activity of secoisolariciresinol diglucoside in poloxamer-407-induced experimental hyperlipidemia}, journal = {Pharmaceutical Biology}, volume = {52}, number = {9}, year = {2014}, month = {SEP}, pages = {1094-1103}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {

Context: Linum usitatissimum L. (Linaceae), commonly known as flaxseed, is a good source of dietary fiber and lignans. Earlier we reported cardioprotective, antihyperlipidemic, and in vitro antioxidant activity of flax lignan concentrate (FLC) obtained from flaxseed. Objectives: To isolate secoisolariciresinol diglucoside (SDG) from FLC and to evaluate the antihyperlipidemic activity of SDG in poloxamer-407 (P-407)-induced hyperlipidaemic mice. Material and methods: FLC was subjected to column chromatography and further subjected to preparative HPTLC to isolate SDG. The chemical structure of the isolated compound was elucidated by UV, IR, H-1 NMR, C-13 NMR, DEPT, COSY, HSQC, HMBC, ROESY, MS, and specific optical rotation was recorded. Further, we have investigated the antihyperlipidaemic effect of SDG (20 mg/kg) in P-407-induced hyperlipidaemic rats. Hyperlipidaemia was induced by intraperitoneal administration of P-407 (30\% w/v). Serum lipid parameters such as total cholesterol (TC), triglycerides (TG), and high-density lipoprotein cholesterol (HDL-C) levels were measured. Results and discussion: The structure and stereochemistry of the isolated compound were confirmed on the basis of 1D and 2D spectral data and characterized as SDG. Finally, isolated pure SDG was screened using a P-407-induced mice model for its antihyperlipidemic action using serum lipid parameters. The isolated SDG (20 mg/kg) significantly reduced serum cholesterol, triglyceride (p\<0.001), very low-density lipoprotein (p\<0.05), and non-significantly increased HDL-C. Conclusion: Finally, it was concluded unequivocally that SDG showed antihyperlipidaemic effects in P-407-induced hyperlipidaemic mice. Isolated pure SDG confirms that SDG is beneficial in the prevention of experimental hyperlipidemia in laboratory animals.

}, keywords = {column chromatography, flaxseed, Linum usitatissimum}, issn = {1388-0209}, doi = {10.3109/13880209.2013.877492}, author = {Zanwar, Anand A. and Hegde, Mahabaleshwar V. and Rojatkar, Supada R. and Sonawane, Kiran B. and Rajamohanan, P. R. and Bodhankar, Subhash L.} } @article { ISI:000332188100018, title = {Large increase in the energy product of Fe3Se4 by Fe-site doping}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {4016-4022}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Fe3Se4 possesses a large coercivity at room temperature. At lower temperature, a coercivity value up to 40 kOe has been achieved. However, due to a relatively lower saturation magnetization value, the energy product of this material is not suitable for its use as rare-earth-free hard magnetic material. Although the anisotropy and magnetic structure of Fe3Se4 have been topics of research, there is no attempt to increase the energy product. Here, we report the synthesis of Fe3-xMnxSe4 (x = 0.01-0.2) nanorods. As required for practical applications, after doping, the Curie temperature remains unchanged; however, at optimum (x = 0.03) doping of manganese ions, the magnetization of the host matrix increases significantly from 4.84 to 7.54 emu/g. The corresponding energy product value was found to be increased by more than 130\%. At low temperature (10 K) the energy product shows almost a 2 order of magnitude increase (similar to 0.12 MG Oe), which makes it valuable for many low temperature applications. This improvement is a vital step for its use in some of the household applications where a large volume and relatively lower energy product are needed.

}, issn = {1932-7447}, doi = {10.1021/jp411956q}, author = {Sen Bishwas, Mousumi and Das, Raja and Poddar, Pankaj} } @article {46404, title = {Large scale synthesis of graphene quantum dots (GQDs) from waste biomass and their use as an efficient and selective photoluminescence on-off-on probe for Ag+ ions}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {MAR}, pages = {11664-11670}, type = {Article}, abstract = {

Graphene quantum dots (GQDs) are synthesized from bio-waste and are further modified to produce amine-terminated GQDs (Am-GQDs) which have higher dispersibility and photoluminescence intensity than those of GQDs. A strong fluorescence quenching of Am-GQDs (switch-off) is observed for a number of metal ions, but only for the Ag+ ions is the original fluorescence regenerated (switch-on) upon addition of L-cysteine.

}, issn = {2040-3364}, doi = {10.1039/c4nr02494j}, author = {Suryawanshi, Anil and Biswal, Mandakini and Mhamane, Dattakumar and Gokhale, Rohan and Patil, Shankar and Guin, Debanjan and Ogale, Satishchandra} } @article { ISI:000343988200032, title = {Layer-separated distribution of nitrogen doped graphene by wrapping on carbon nitride tetrapods for enhanced oxygen reduction reactions in acidic medium}, journal = {Chemical Communications}, volume = {50}, number = {89}, year = {2014}, month = {SEP}, pages = {13769-13772}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Layer-separated 3D nitrogen doped graphene (NG) with an accessible interstitial surface and modulated activity characteristics for oxygen reduction in acidic medium could be prepared by wrapping NG sheets on in situ generated carbon nitride (CNx) tetrapods.

}, issn = {1359-7345}, doi = {10.1039/c4cc06180b}, author = {Unni, SreeKuttan M. and Illathvalappil, Rajith and Gangadharan, Pranav K. and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article { ISI:000329337000031, title = {Ligand-free one-step synthesis of {001} faceted semiconducting BiOCl single crystals and their photocatalytic activity}, journal = {Crystal Growth \& Design}, volume = {14}, number = {1}, year = {2014}, month = {JAN}, pages = {236-239}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Herein, we report one-step ligand-free hydrothermal synthesis of predominantly {001}-faceted micron-sized single crystals of bismuth oxychloride (BiOCl). The structural chlorine is obtained by in situ generation of chloride ions. From Raman spectra, we could resolve the E-g transition. Photocatalytic activity of as-synthesized crystals showed 78\% degradation of RhB dye under a xenon source after 120 min of exposure.

}, issn = {1528-7483}, doi = {10.1021/cg4014366}, author = {Biswas, Anupam and Das, Raja and Dey, Chandan and Banerjee, Rahul and Poddar, Panka} } @article { ISI:000340809600002, title = {Magnetic alignment of gamma (core)-alpha (shell) Fe2O3 nanorods in a solid polymer electrolyte for Li-Ion batteries}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {33}, year = {2014}, month = {AUG}, pages = {18836-18845}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The temperature-dependent ionic conductivity and thermal properties are characterized for a solid polymer electrolyte of poly(ethylene oxide) (PEO) and LiClO4 filled with 1 wt \% gamma-phase core (maghemite) and alpha-phase shell (hematite) Fe2O3 nanorods. Samples are solvent-cast in the absence and presence of a 0.5 T magnetic field, dried at room temperature under vacuum for 72 h, and measured under nitrogen. Vibrating sample magnetometry indicates that the magnetic treatment aligns the nanorods to some extent in the desired orientation normal to the electrode surface. For samples with an ether oxygen to lithium ratio (EO/Li) of 10:1, the nanorods induce sample-to-sample variability in the ionic conductivity. The magnetic treatment eliminates this variability, and differential scanning calorimetry data support the observation that the magnetic treatment increases the structural homogeneity of the electrolyte. For samples with an EO/Li of 3:1, the ionic conductivity is 3 orders of magnitude larger for samples containing 5 times more of the crystal structure, (PEO)(6)/LiClO4. This result is surprising because an inverse relationship between crystallinity and conductivity is normally observed for semicrystalline, solid polymer electrolytes. When the crystal fraction is increased by a factor of 8 via the combination of nanorods and magnetic treatment, the conductivity does not continue to increase, showing that the effect does not persist beyond a critical fraction of (PEO)(6)/LiClO4. The results demonstrate that field-effect alignment of magnetic nanorods increases the crystal fraction and homogeneity of PEO/LiClO4, but does not affect the ionic conductivity in the range of salt and nanorod concentrations investigated.

}, issn = {1932-7447}, doi = {10.1021/jp501786r}, author = {Schaetzl, Dean M. and Li, Peng and Chaudhari, Nilima and Bernstein, Gary H. and Fullerton-Shirey, Susan K.} } @article { ISI:000337763200018, title = {Matrix-assisted laser desorption/ionization mass spectrometry analysis of dimethyl arginine isomers from urine}, journal = {Analytical Methods}, volume = {6}, number = {13}, year = {2014}, month = {APR}, pages = {4602-4609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Isomeric asymmetric and symmetric dimethyl arginine (ADMA and SDMA respectively) residues are excreted in urine and are putative markers of cardiovascular and chronic kidney diseases. In this work, we demonstrate simultaneous and quantitative detection of endogeneous ADMA and SDMA from urine samples of healthy subjects using MALDI-TOF MS without any chromatographic separation. The DMA isomers yielded [M + H](+) ions along with their product ions formed due to MALDI in-source fragmentation. The precursor ions were validated using MALDI-TOF MS/MS as well as direct injection ESI-Q-TOF MS/MS. ADMA and SDMA generated unique product ions at similar to m/z 46 and similar to m/z 172 respectively in the MS-mode itself. These were advantageously used for full scan-mode absolute quantification of the isomeric metabolites. The m/z observed for all the ions was within 10 ppm mass accuracy. The calibration method was established by generating internal standard normalized peak area-based concentration response curves using synthetic standards. Good linearities (R-2 \> 0.95) with acceptable intra-assay, inter-assay variation (within 15\% RSD) and excellent recoveries were observed for quality control samples. Finally, endogeneous concentrations of the metabolites were determined in urine from healthy subjects (n = 11). ADMA and SDMA were found to be in the range of 1.6-8 mu M and 2.9-9.1 mu M in urine and were in agreement with previously reported physiological levels.

}, issn = {1759-9660}, doi = {10.1039/c4ay00309h}, author = {Bhattacharya, Nivedita and Singh, Ajeet and Ghanate, Avinash and Phadke, Gayatri and Parmar, Dharmesh and Dhaware, Deepika G. and Basak, Trayambak and Sengupta, Shantanu and Panchagnula, Venkateswarlu} } @article { ISI:000340469800044, title = {Mechanical downsizing of a gadolinium(iii)-based metal-organic framework for anticancer drug delivery}, journal = {Chemistry-A European Journal}, volume = {20}, number = {33}, year = {2014}, month = {AUG}, pages = {10514-10518}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A Gd-III-based porous metal-organic framework (MOF), Gd-pDBI, has been synthesized using fluorescent linker pDBI (pDBI=(1,4-bis(5-carboxy-1H-benzimidazole-2-yl)benzene)), resulting in a three-dimensional interpenetrated structure with a one-dimensional open channel (1.9x1.2nm) filled with hydrogen-bonded water assemblies. Gd-pDBI exhibits high thermal stability, porosity, excellent water stability, along with organic-solvent and mild acid and base stability with retention of crystallinity. Gd-pDBI was transformed to the nanoscale regime (ca. 140nm) by mechanical grinding to yield MG-Gd-pDBI with excellent water dispersibility (\>90min), maintaining its porosity and crystallinity. In vitro and in vivo studies on MG-Gd-pDBI revealed its low blood toxicity and highest drug loading (12wt\%) of anticancer drug doxorubicin in MOFs reported to date with pH-responsive cancer-cell-specific drug release.

}, keywords = {ball-milling, doxorubicin, drug delivery, metal-organic frameworks, nanocarriers}, issn = {0947-6539}, doi = {10.1002/chem.201402244}, author = {Kundu, Tanay and Mitra, Shouvik and Patra, Prasun and Goswami, Arunava and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000337018900007, title = {Mechanochemical synthesis of amide functionalized porous organic polymers}, journal = {Crystal Growth \& Design}, volume = {14}, number = {6}, year = {2014}, month = {JUN}, pages = {2729-2732}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two porous organic polymers decorated with the amide functionality were synthesized mechanochemically and their properties were compared with the ones prepared by conventional solution mediated method. All the POPs were subjected to gas and water vapor sorption studies. The mechanochemically synthesized POPs have less surface area and show moderate adsorption properties compared to the solution mediated POPs. The amide based POPs show remarkable stability in water and concentrated acids.

}, issn = {1528-7483}, doi = {10.1021/cg500439f}, author = {Rajput, Lalit and Banerjee, Rahul} } @article { ISI:000342990400003, title = {Mechanosynthesis of imine, beta-ketoenamine, and hydrogen-bonded imine-linked covalent organic frameworks using liquid-assisted grinding}, journal = {Chemical Communications}, volume = {50}, number = {84}, year = {2014}, month = {JUL}, pages = {12615-12618}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A variety of aromatic amines/hydrazides and aldehydes have been utilized for the construction of crystalline COFs at a faster rate and in high yield, irrespective of their reactivity and solubility using the Liquid-Assisted Grinding (LAG) method.

}, issn = {1359-7345}, doi = {10.1039/c4cc03389b}, author = {Das, Gobinda and Shinde, Digambar Balaji and Kandambeth, Sharath and Biswal, Bishnu P. and Banerjee, Rahul} } @article { ISI:000336005600009, title = {Mesoporous, ligand free Cu-Fe solid catalyst mediated CS cross coupling of thiols with aryl halides}, journal = {Applied Catalysis A-General}, volume = {476}, year = {2014}, month = {APR}, pages = {54-60}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid catalyst derived from Cu-Fe hydrotalcite was demonstrated to be a novel, ligandless, efficient and environmentally greener catalyst for the synthesis of diaryl sulfurs from the C-S cross coupling reaction of substituted thiols with different aryl halides. This catalyst has shown higher product yield in the presence of dimethylformamide (as a solvent) and K2CO3 (as a base) at 120 C. Influence of different solvents and bases on the product yield has also been investigated. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. The catalyst has been fully characterized for its surface and bulk properties and the mesoporous CuO:Fe2O3 phase was attributed for its catalytic activity towards S-arylation reactions. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {C-S cross coupling, Cu-Fe-hydrotalcite, S-arylation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.02.015}, author = {Dumbre, Deepa K. and Selvakannan, P. R. and Patil, S. K. and Choudhary, Vasant R. and Bhargava, Suresh Kumar} } @article { ISI: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:000343016000001, title = {Microscopic hydration properties of the a beta(1-42) peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {40}, year = {2014}, month = {OCT}, pages = {11591-11604}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Atomistic molecular dynamics simulations of eight selected conformations of a disordered protein amyloid beta (1-42) (A beta), and a globular protein, ubiquitin(UBQ), have been carried out in aqueous media at 310 K. Detailed analyses were carried out to compare the microscopic properties of water molecules present in the hydration layers of these systems. It is notices that irrespective of the conformational heterogeneity among the A beta monomers, water molecules hydrating UBQ. Importantly, the conformational heterogeneity of the A beta monomers has been found to affect the translational and rotational motions of hydration water molecules in a nonuniform manner. Detailed investigation of the timescale of hydrogen bond relaxations at the surface and their energetics revealed the possibility of heterogeneous confinement around different A beta conformations. The distribution of water density fluctuation around A beta conformations are broader compared density fluctuation among the A beta monomers suggests that the structural propensities could affect the peptides effective surface hydrophobicity.

}, issn = {1520-6106}, doi = {10.1021/jp505629q}, author = {Jose, Jaya C. and Khatua, Prabir and Bansal, Nupur and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article { ISI:000339807200033, title = {Modeling gating charge and voltage changes in response to charge separation in membrane proteins}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, number = {31}, year = {2014}, month = {AUG}, pages = {11353-11358}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Measurements of voltage changes in response to charge separation within membrane proteins can offer fundamental information on mechanisms of charge transport and displacement processes. A recent example is provided by studies of cytochrome c oxidase. However, the interpretation of the observed voltage changes in terms of the number of charge equivalents and transfer distances is far from being trivial or unique. Using continuum approaches to describe the voltage generation may involve significant uncertainties and reliable microscopic simulations are not yet available. Here, we attempt to solve this problem by using a coarse-grained model of membrane proteins, which includes an explicit description of the membrane, the electrolytes, and the electrodes. The model evaluates the gating charges and the electrode potentials (c.f. measured voltage) upon charge transfer within the protein. The accuracy of the model is evaluated by a comparison of measured voltage changes associated with electron and proton transfer in bacterial photosynthetic reaction centers to those calculated using our coarse-grained model. The calculations reproduce the experimental observations and thus indicate that the method is of general use. Interestingly, it is found that charge-separation processes with different spatial directions (but the same distance perpendicular to the membrane) can give similar observed voltage changes, which indicates that caution should be exercised when using simplified interpretation of the relationship between charge displacement and voltage changes.

}, keywords = {bacterial reaction center, electrogenicity, membrane potential, proton/electron transfer}, issn = {0027-8424}, doi = {10.1073/pnas.1411573111}, author = {Kim, Ilsoo and Chakrabarty, Suman and Brzezinski, Peter and Warshel, Arieh} } @article { ISI:000333567300064, title = {MOF-derived crumpled-sheet-assembled perforated carbon cuboids as highly effective cathode active materials for ultra-high energy density Li-ion hybrid electrochemical capacitors (Li-HECs)}, journal = {Nanoscale}, volume = {6}, number = {8}, year = {2014}, month = {FEB}, pages = {4387-4394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lithium ion hybrid capacitors (Li-HECs) have attracted significant attention for use in next generation advanced energy storage technologies to satisfy the demand of both high power density as well as energy density. Herein we demonstrate the use of very high surface area 3D carbon cuboids synthesized from a metal-organic framework (MOF) as a cathode material with Li4Ti5O12 as the anode for high performance Li-HECs. The energy density of the cell is similar to 65 W h kg(-1) which is significantly higher than that achievable with commercially available activated carbon (similar to 36 W h kg(-1)) and a symmetric supercapacitor based on the same MOF-derived carbon (MOF-DC similar to 20 W h kg(-1)). The MOF-DC/Li4Ti5O12 Li-HEC assembly also shows good cyclic performance with similar to 82\% of the initial value (similar to 25 W h kg(-1)) retained after 10 000 galvanostatic cycles under high rate cyclic conditions. This result clearly indicates that MOF-DC is a very promising candidate for future P-HEVs in a Li-HEC configuration.

}, issn = {2040-3364}, doi = {10.1039/c4nr00025k}, author = {Banerjee, Abhik and Upadhyay, Kush Kumar and Puthusseri, Dhanya and Aravindan, Vanchiappan and Madhavi, Srinivasan and Ogale, Satishchandra} } @article { ISI:000342687200060, title = {Molecular investigations of protriptyline as a multi-target directed ligand in alzheimer{\textquoteright}s disease}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e105196}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a complex neurodegenerative disorder involving multiple cellular and molecular processes. The discovery of drug molecules capable of targeting multiple factors involved in AD pathogenesis would greatly facilitate in improving therapeutic strategies. The repositioning of existing non-toxic drugs could dramatically reduce the time and costs involved in developmental and clinical trial stages. In this study, preliminary screening of 140 FDA approved nervous system drugs by docking suggested the viability of the tricyclic group of antidepressants against three major AD targets, viz. Acetylcholinesterase (AChE), beta-secretase (BACE-1), and amyloid beta (A beta) aggregation, with one member, protriptyline, showing highest inhibitory activity. Detailed biophysical assays, together with isothermal calorimetry, fluorescence quenching experiments, kinetic studies and atomic force microscopy established the strong inhibitory activity of protriptyline against all three major targets. The molecular basis of inhibition was supported with comprehensive molecular dynamics simulations. Further, the drug inhibited glycation induced amyloid aggregation, another important causal factor in AD progression. This study has led to the discovery of protriptyline as a potent multi target directed ligand and established its viability as a promising candidate for AD treatment.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0105196}, author = {Bansode, Sneha B. and Jana, Asis K. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Joshi, Rakesh S. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000341359000029, title = {Multicomponent reactions involving phosphines, arynes and aldehydes}, journal = {Chemical Communications}, volume = {50}, number = {77}, year = {2014}, month = {AUG}, pages = {11389-11392}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although nucleophilic phosphine-catalysis is a powerful tool for the construction of various carbocycles and heterocycles, the reactions in which phosphines are incorporated into the final product are rare, and the reports on phosphine addition to highly electrophilic arynes are scarce. Herein, we report the phosphine triggered multicomponent reaction of arynes and aldehydes, which takes place via the formal [3+2] cycloaddition of an initially generated 1,3-phosphonium zwitterion from phosphines and arynes with aldehydes. The reaction resulted in the formation of a diverse range of stable pentacovalent phosphoranes in good yields based on the benzooxaphosphole system.

}, issn = {1359-7345}, doi = {10.1039/c4cc05420b}, author = {Bhunia, Anup and Kaicharla, Trinadh and Porwal, Digvijay and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000335924100043, title = {Multifunctional and robust covalent organic framework-nanoparticle hybrids}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {21}, year = {2014}, month = {MAR}, pages = {7944-7952}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly dispersed Pd(0) nanoparticles were successfully immobilized into a stable, crystalline and porous covalent organic framework (COF), TpPa-1, by a solution infiltration method using NABH(4) as a reducing agent. High resolution and dark field TEM images confirmed the uniform loading of the Pd(0) nanoparticles into the TpPa-1 matrix without aggregation. This hybrid material exhibited excellent catalytic activity towards the Cu free Sonogashira, Heck and sequential one pot Heck-Sonogashira cross-coupling reactions under basic conditions, and with superior performance compared to commercially available Pd supported on activated charcoal (i.e., 1, 5 and 10 wt\%). Additionally, the precursor Pd(II)-doped COF also displayed competitive catalytic activity for the intramolecular oxidative biaryl synthesis under acidic conditions. Both catalysts were found to be highly stable under the reaction conditions showing negligible metal leaching, non-sintering behavior, and good recyclability. To the best of our knowledge, the organic support used in this work, TpPa-1, constitutes the first COF matrix that can hold both Pd(0) nanoparticles and Pd(II) complex without aggregation for catalytic purposes under both highly acidic and basic conditions.

}, issn = {2050-7488}, doi = {10.1039/c4ta00284a}, author = {Pachfule, Pradip and Panda, Manas K. and Kandambeth, Sharath and Shivaprasad, S. M. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000328260200011, title = {Multi-walled CNT-induced phase behaviour of poly(vinylidene fluoride) and its electro-mechanical properties}, journal = {Journal of Materials Science}, volume = {49}, number = {1}, year = {2014}, month = {JAN}, pages = {103-113}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A simple two-step process was used to disperse acid functionalizedmulti-walled carbon nanotubes (CNTs) in poly(vinylidene fluoride) (PVDF). While the neat solvent-cast PVDF showed coexistence of alpha- and beta-phases; the composite films exhibited only beta-phase crystals. Further studies on the crystalline behaviour, using differential scanning calorimetry and small-angle X-ray scattering techniques showed an increase in the percentage of crystalline phase with CNT. The network formed by CNTs in the matrix reduced the macroscopic electrical resistivity of composite films. The dielectric constant increased with CNT loading. Further, these composites were investigated for its electromagnetic wave absorbance (EWA) and strain sensing properties. The EWA properties were studied in the X-band (6-12 GHz) region. A maximum of similar to 37 dB reflectivity loss at similar to 9.0 GHz was obtained in a similar to 25 mu m thick PVDF film containing only 0.25 wt\% of functionalized CNT. Preliminary studies showed a systematic change in electrical resistance by the application of dynamic bending strain in nanocomposite film. The film also showed a significant improvement in mechanical stiffness owing to efficient stress transfer from matrix to filler, the property desirable for a good strain sensor. In view of the unique combination of EWA and electro-mechanical properties, the nanocomposite films are expected to serve as a multifunctional material for strain sensing in health monitoring as well as in radar absorption.

}, issn = {0022-2461}, doi = {10.1007/s10853-013-7681-2}, author = {Rath, Sangram K. and Dubey, Sachin and Kumar, G. Sudheer and Kumar, Sanjay and Patra, A. K. and Bahadur, Jitendra and Singh, A. K. and Harikrishnan, G. and Patro, T. Umasankar} } @article { ISI:000332061300050, title = {Nanocomposite of silver and thermo-associating polymer by a green route: a potential soft-hard material for controlled drug release}, journal = {RSC Advances}, volume = {4}, number = {20}, year = {2014}, month = {JAN}, pages = {10261-10268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c3ra45022h}, author = {Gupta, Nivika R. and Bhagavatula L. V. Prasad and Gopinath, Chinnakonda S. and Badiger, Manohar V.} } @article { ISI:000330814200017, title = {Nanodiamond particles/reduced graphene oxide composites as efficient supercapacitor electrodes}, journal = {Carbon}, volume = {68}, year = {2014}, month = {MAR}, pages = {175-184}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The paper reports on the preparation of reduced graphene oxide (rGO) modified with nanodiamond particles composites by a simple solution phase and their use as efficient electrode in electrochemical supercapacitors. The technique relies on heating aqueous solutions of graphene oxide (GO) and nanodiamond particles (NDs) at different ratios at 100 degrees C for 48 h. The morphological properties, chemical composition and electrochemical behavior of the resulting rGO/NDs nanocomposites were investigated using UV/vis spectrometry, Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, transmission electron microscopy (TEM) and electrochemical means. The electrochemical performance, including the capacitive behavior of the rGO/NDs composites were investigated by cyclic voltammetry and galvanostatic charge/discharge curves at 1 and 2 A g(-1) in 1 M H2SO4. The rGO/ND matrix with 10/1 ratio displayed the best performance with a specific capacitance of 186 +/- 10 F g (-1) and excellent cycling stability. (C) 2013 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2013.10.077}, author = {Wang, Qi and Plylahan, Nareerat and Shelke, Manjusha V. and Devarapalli, Rami Reddy and Li, Musen and Subramanian, Palaniappan and Djenizian, Thierry and Boukherroub, Rabah and Szunerits, Sabine} } @article { ISI:000337123100037, title = {Nanophase CulnS(2) nanosheets/CuS composite grown by the SILAR method leads to high performance as a counter electrode in dye sensitized solar cells}, journal = {RSC Advances}, volume = {4}, number = {42}, year = {2014}, month = {MAY}, pages = {21989-21996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c4ra01740d}, author = {Bhosale, Reshma K. and Agarkar, Shruti A. and Agrawal, Ishita and Naphade, Rounak A. and Ogale, Satishchandra} } @article { ISI:000343847700007, title = {New organocatalyst derived from abietic acid and 4-hydroxy-L-proline for direct asymmetric aldol reactions in aqueous media}, journal = {Tetrahedron-Asymmetry}, volume = {25}, number = {18-19}, year = {2014}, month = {OCT}, pages = {1292-1297}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.07.012}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @article { ISI:000341282100018, title = {New Ru(II)/Os(II)-polypyridyl complexes for coupling to TiO2 surfaces through acetylacetone functionality and studies on interfacial electron-transfer dynamics}, journal = {Dalton Transactions}, volume = {43}, number = {36}, year = {2014}, month = {SEP}, pages = {13601-13611}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

New Ru(II)- and Os(II)-polypyridyl complexes have been synthesized with pendant acetylacetone (acac) functionality for anchoring on nanoparticulate TiO2 surfaces with a goal of developing an alternate sensitizer that could be utilized for designing an efficient dye-sensitized solar cell (DSSC). Time-resolved transient absorption spectroscopic studies in the femtosecond time domain have been carried out. The charge recombination rates are observed to be very slow, compared with those for strongly coupled dye molecules having catechol as the anchoring functionality. The results of such studies reveal that electron-injection rates from the metal complex-based LUMO to the conduction band of TiO2 are faster than one would expect for an analogous complex in which the chromophoric core and the anchoring moiety are separated with multiple saturated C-C linkages. Such an observation is rationalized based on computational studies, and a relatively smaller spatial distance between the dye LUMO and the TiO2 surface accounted for this. Results of this study are compared with those for analogous complexes having a gem-dicarboxy group as the anchoring functionality for covalent binding to the TiO2 surface to compare the role of binding functionalities on electron-transfer dynamics.

}, issn = {1477-9226}, doi = {10.1039/c4dt01571a}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Sahu, Tuhin Subhra and Ganguly, Bishwajit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000344459400014, title = {N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums}, journal = {Chemical Communications}, volume = {50}, number = {93}, year = {2014}, month = {OCT}, pages = {14539-14542}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc07433e}, author = {Mondal, Santigopal and Yetra, Santhivardhana Reddy and Patra, Atanu and Kunte, Sunita S. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI: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:000345641400039, title = {Non-uniform early structural response of globular proteins to cold denaturing conditions: a case study with Yfh1}, journal = {Journal of Chemical Physics}, volume = {141}, number = {20}, year = {2014}, month = {NOV}, pages = {205103}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The mechanism of cold denaturation in proteins is often incompletely understood due to limitations in accessing the denatured states at extremely low temperatures. Using atomistic molecular dynamics simulations, we have compared early (nanosecond timescale) structural and solvation properties of yeast frataxin (Yfh1) at its temperature of maximum stability, 292 K (T-s), and the experimentally observed temperature of complete unfolding, 268 K (T-c). Within the simulated timescales, discernible {\textquoteleft}{\textquoteleft}global{\textquoteright}{\textquoteright} level structural loss at T-c is correlated with a distinct increase in surface hydration. However, the hydration and the unfolding events do not occur uniformly over the entire protein surface, but are sensitive to local structural propensity and hydrophobicity. Calculated infrared absorption spectra in the amide-I region of the whole protein show a distinct red shift at T-c in comparison to T-s. Domain specific calculations of IR spectra indicate that the red shift primarily arises from the beta strands. This is commensurate with a marked increase in solvent accessible surface area per residue for the beta-sheets at T-c. Detailed analyses of structure and dynamics of hydration water around the hydrophobic residues of the beta-sheets show a more bulk water like behavior at T-c due to preferential disruption of the hydrophobic effects around these domains. Our results indicate that in this protein, the surface exposed beta-sheet domains are more susceptible to cold denaturing conditions, in qualitative agreement with solution NMR experimental results. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4901897}, author = {Chatterjee, Prathit and Bagchi, Sayan and Sengupta, Neelanjana} } @article { ISI:000341513700006, title = {Nucleophilic ring-opening of benzoxazinones by dbu: some observations}, journal = {Synthetic Communications}, volume = {44}, number = {20}, year = {2014}, month = {AUG}, pages = {2955-2960}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

This communication demonstrates the formation of an unusual nucleophilic ring opening of benzoxazinones by 1,8-diazabicycloundec-7-ene (DBU). This observation contradicts the intrinsic feature of a hindered nonnucleophilic base like DBU. Confirmation of the product was achieved via single-crystal X-ray diffraction studies.

}, keywords = {Benzoxazinones, caprolactam, DBU, HATU}, issn = {0039-7911}, doi = {10.1080/00397911.2014.910529}, author = {Baravkar, Sachin B. and Roy, Arup and Gawade, Rupesh L. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI: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:000344382800045, title = {One-pot synthesis of ultrasmall MoO3 nanoparticles supported on SiO2, TiO2, and ZrO2 nanospheres: an efficient epoxidation catalyst}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {44}, year = {2014}, month = {SEP}, pages = {19060-19066}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ultrasmall molybdenum oxide (MoO3) nanoparticles supported on various (SiO2, TiO2 or ZrO2) nanospheres were synthesized in one pot using a reverse micelle method. The prepared catalysts were thoroughly characterized by various physico-chemical methods. TEM images showed uniform dispersion of MoO3 nanoparticles (1.5-4 nm) onto silica (similar to 275 nm). No separate MoO3 particles were identified from TEM for MoO3/TiO2 (similar to 10.5 nm) and MoO3/ZrO2 (similar to 6.5 nm) because AHM reacted with titanium and zirconium hydroxides to form solid solution. Among the prepared catalysts MoO3/SiO2 showed excellent catalytic activity (up to 90\% conversion and 100\% epoxide selectivity) for olefin epoxidation. The catalyst was successfully recycled up to five cycles without losing much activity and selectivity.

}, issn = {2050-7488}, doi = {10.1039/c4ta03754e}, author = {Chandra, Prakash and Doke, Dhananjay S. and Shubhangi B. Umbarkar and Biradar, Ankush V.} } @article {45975, title = {Palladium nanoparticles supported on magnesium hydroxide fluorides: a selective catalyst for olefin hydrogenation}, journal = {ChemCatChem}, volume = {6}, year = {2014}, month = {NOV}, pages = {3182-3191}, type = {Article}, abstract = {

A one-pot synthesis of palladium nanoparticles supported on magnesium hydroxide fluoride has been performed with the fluorolytic sol-gel method. The prepared catalysts were characterized by using various physicochemical techniques. The sol-gel method led to high surface area (\>135 m(2)g(-1)), mesoporous catalysts (pore volume=0.19-0.23 cm(3)g(-1), pore diameter=3-5 nm) with uniformly dispersed palladium nanoparticles approximately 2 nm in diameter on the surface. The catalysts synthesized by using different concentrations of aqueous hydrofluoric acid exhibited changing surface and acidic properties. Very high dispersion of palladium on magnesium fluoride (47\%) was obtained with 1 wt\% palladium loading. The catalysts were used for hydrogenation of various olefins in the presence of other organic functionalities at room temperature and atmospheric hydrogen pressure. Various substituted olefins were hydrogenated with almost 100\% conversion and selectivity. The catalysts were recycled efficiently over five cycles without appreciable loss in catalytic activity. There was no palladium leaching under the reaction conditions, which was confirmed by inductively coupled plasma atomic emission spectroscopy analysis. Activation of olefin on the catalyst surface could not be observed by in situ FTIR studies, indicating facile activation of hydrogen on the palladium supported on magnesium hydroxide fluoride.

}, keywords = {alkenes, heterogeneous catalysis, Hydrogenation, magnesium fluorides, Palladium}, issn = {1867-3880}, doi = {10.1002/cctc.201402469}, author = {Acham, Vaibhav R. and Biradar, Ankush V. and Dongare, Mohan K. and Kemnitz, Erhard and Umbarkar, Shubhangi B.} } @article { ISI:000330489600005, title = {PBI-BuI and PAN-PSSALi based UF membranes: effects of solute and membrane surface interactions on rejection and flux}, journal = {Desalination}, volume = {333}, number = {1}, year = {2014}, month = {JAN}, pages = {45-51}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ultrafiltration membrane using tert-butylpolybenzimidazole (PBI-BuI) was prepared and characterized for flux and rejection performance using Gel Permeation Chromatography (GPC). Polyethylene glycol (PEG) and polyethylene oxide (PEO) with different molecular weights were used as the solutes. While using feed solution containing mixture of PEGs, higher rejection was observed than using individual PEG. The water flux of PBI-BuI membrane after passing individual PEG solutions showed considerable (similar to 36\%) reduction, which could be attributable to the PEG adsorption on the membrane pore surface. PEG adsorption was further substantiated by SEM, IR and TGA. The amphoteric nature of PBI-BuI could cause H-bonding between membrane surface and PEG molecules, leading to PEG adsorption on the membrane and pore surface. To ascertain this postulation, a study with PAN-PSSALi (which does not contain H-bonding) based UF membrane containing negatively charged -SO3- group was done. It was found that PEG adsorption in this case is not as predominant as in earlier case. This membrane showed marginal reduction in water flux of 8\%, vis-a-vis 36\% reduction shown by PBI-BuI based membrane. This indicated that H-bonding present in PBI-BuI is mainly responsible for the PEG adsorption on its membrane and pore surface, in spite of PEG being a neutral molecule. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Gel permeation chromatography, Polybenzimidazole, Rejection, Solute adsorption, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2013.11.036}, author = {Bhagat, Deepti G. and Mule, Bhavana and Mandlekar, Neeraj and Pandare, Kiran and Kharul, Ulhas K.} } @article { ISI:000335720200011, title = {Phosphoric acid loaded azo (-N=N-) based covalent organic framework for proton conduction}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {18}, year = {2014}, month = {MAY}, pages = {6570-6573}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new chemically stable functional crystalline covalent organic frameworkds (COFs) (Tp-Azo and Tp-Stb) were synthesized using the Schiff base reaction between triformylphloroglucinol (Tp) and 4,4{\textquoteright}-azodianiline (Azo) or 4,4{\textquoteright}-diaminostilbene (Stb), respectively. Both COFs show the expected keto-enamine form, and high stability toward boiling water, strong acidic, and basic media. H3PO4 doping in Tp-Azo leads to immobilization of the acid within the porous framework, which facilitates proton conduction in both the hydrous (sigma = 9.9 X 10(-4) S cm(-1)) and anhydrous state (sigma = 6.7 X 10(-5) S cm-1). This report constitutes the first emergence of COFs as proton conducting materials.

}, issn = {0002-7863}, doi = {10.1021/ja502212v}, author = {Chandra, Suman and Kundu, Tanay and Kandambeth, Sharath and BabaRao, Ravichandar and Marathe, Yogesh N. and Kunjir, Shrikant M. and Banerjee, Rahul} } @article { ISI:000340446300061, title = {Photocatalytic H-2 evolution from water-methanol system by anisotropic InFeO3(ZnO)(m) oxides without cocatalyst in visible light}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {12321-12327}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

InFeO3(ZnO)(m), series of oxides are found to give unprecedented H-2 evolution from water-methanol mixtures without using any cocatalysts. This family of compounds has an anisotropically layered structure in which Zn/FeOn polyhedra are sandwiched between InO6 octahedral layers. Local structure characterization by X-ray absorption spectroscopy reveals that Zn coordination changes from pentacoordinated to tetrahedral geometry across the series, whereas Fe geometry remains trigonal bipyramidal in all the compounds. This peculiar structure is conducive for a spatial separation of photogenerated charges reducing recombination losses. Band gap energies calculated from absorption spectra indicate potential visible light activity, and this may be due to the orbital mixing of Fe 3d and O 2p as revealed by pre-edge features of X-ray absorption spectra. Band positions are also advantageously placed for a visible light H-2 generation and is indeed found to be the case in methanol-assisted water splitting with standardized hydrogen evolution of similar to 19.5 mmol g(-1) h(-1) for all the catalysts.

}, keywords = {anisotropic structure, H-2 evolution, InFeO3(ZnO)(m), layered oxide, photocatalytic water splitting}, issn = {1944-8244}, doi = {10.1021/am501976z}, author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Devi, R. Nandini} } @article { ISI:000343686500039, title = {Photocatalytic metal-organic framework from cds quantum dot incubated luminescent metallohydrogel}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {42}, year = {2014}, month = {OCT}, pages = {14845-14851}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0002-7863}, doi = {10.1021/0509019k}, author = {Saha, Subhadeep and Das, Gobinda and Thote, Jayshri and Banerjee, Rahul} } @article {46382, title = {Photochromic metal organic frameworks for inkless and erasable printing}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C110}, type = {Meeting Abstract}, keywords = {Erasable Printing, Inkless Printing, metal organic framework}, issn = {2053-2733}, author = {Garai, Bikash and Banerjee, Rahul} } @conference { ISI:000352795700039, title = {Photo-enhanced field emission studies of tapered CdS nanobelts}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47th St, New York, NY 10017 USA}, abstract = {

Field emission and photo-enhanced field emission characteristics of single crystalline tapered CdS nanobelts have been investigated. The turn-on field for the emission current density of similar to 0.1 mu A/cm(2) is found to be similar to 2.1 V/mu m, which is much lower than reported values for various CdS nanostructures. The photo-enhanced field emission current shows a reproducible photo-switching behavior with rise in current level nearly four times that of its initial preset value (similar to 1 mu A) which is found to be very remarkable. Possible mechanism of photo-enhanced field emission is discussed.

}, keywords = {Current stability, field emission, Nanobelts, Photoswitching}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, author = {Chavan, Padmakar G. and More, Mahendra A. and Joag, Dilip S. and Badadhe, Satish S. and Mulla, Imtiaz S.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @article { ISI:000341287200041, title = {Photophysical, bandstructural, and textural properties of o-FeNbO4 in relation to its cocatalyst-assisted photoactivity for water oxidation}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33435-33445}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this study, a relationship between physicochemical, photophysical and photocatalytic properties of hydrothermally synthesized orthorhombic iron niobate (FeNbO4) is investigated. o-FeNbO4 displayed a multi-regime optical absorbance, which was ascribed to at least two distinct phenomena: (i) bandgap (similar to 3.4 eV) excitation giving rise to UV absorbance and (ii) energy transitions involving disorder-induced sub-bandgap donor or acceptor states leading to visible light absorbance. The preparation-dependent distortion in the crystal lattice and the existence of closely spaced inter-bandgap energy states were corroborated by powder X-ray diffraction, photoluminescence, thermoluminescence, and Raman spectroscopy studies. The first principles electronic structure elucidation and photoelectrochemical measurements supported a wide bandgap for FeNbO4, in contrast to the narrow bandgap reported previously. Correspondingly, a small photocurrent density was observed for FeNbO4 (similar to 2 to 3 mu A cm(-2)) under 1 sun illumination, suggesting the availability of a smaller cross section of photogenerated charge pairs. Following these band characteristics, while no H-2 evolution was observed, FeNbO4 gave rise to particle size-dependent O-2 evolution during visible light irradiation of water in the presence of electron scavengers, the samples loaded with NiO as cocatalyst showing better activity. Further, the transmission electron microscopy examination revealed the dominant exposure of (011) facets of FeNbO4, besides a significant heterogeneity of inter-domain boundaries. Overall, our results confirm that the photoactivity of metal/oxide nanocomposites is governed by a combination of factors, such as: grain morphology, microstructure, surface adsorption states, and the localized inter-bandgap energy states. Our study also reveals that, in contrast to prevalent assumptions, the wavelength at the absorption edge may not represent the true band-to-band energy gap of metal oxide semiconductors, which is relevant to their photocatalytic activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra06059h}, author = {Babu, Robin and Kelkar, Sarika A. and Kashid, Vikas and Achary, Srungarpu N. and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000325450600001, title = {Photopolymerization of high internal phase emulsions based on 2-ethylhexyl (meth)acrylates and ethylene glycol dimethacrylate}, journal = {Designed Monomers and Polymers}, volume = {17}, number = {1}, year = {2014}, month = {JAN}, pages = {1-6}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Photopolymerization of high internal phase emulsions based on 2-ethylhexyl (meth)acrylates and ethylene glycol dimethacrylate was carried out in presence of low concentration of different photoinitiators. The stable emulsions obtained by mixing with individual photoinitiators were subjected to low-intensity photopolymerization under UV-Visible lamp. Identical samples were irradiated for differing periods ranging from 2 to 10min at an interval of 2min. The percentage conversions of each monomer in the compositions with respect to the time of irradiation were determined using gas chromatography. It was observed that the formulations containing IRGACURE 819 showed the highest conversion while that containing IRGACURE 2959 showed the least conversion. The former showed high conversion due to the proximity of the absorption maxima of photoinitiator to the major emission line of mercury spectrum at 365nm while the latter showed least conversion due to non-availability of major absorption maxima within the irradiation range.

}, keywords = {(meth)acrylates, high internal phase emulsion, Photopolymerization, residual monomer analysis}, issn = {1385-772X}, doi = {10.1080/15685551.2013.771312}, author = {Harikrishna, Reghunathan and Shaikh, A. W. and Ponrathnam, S. and Rajan, C. R. and Bhongale, Sunil Sitaram} } @conference {46367, title = {Photosensitive field emission study of SnS2 nanosheets (27th International Vacuum Nanoelectronics Conference )}, booktitle = {2014 27TH International Vacuum Nanoelectronics Conference (IVNC)}, year = {2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {

SnS2 nanosheets (SnS(2)NSs), synthesized by one-step hydrothermal reaction, are subjected to Field Emission (FE) studies. For synthesis, specific concentrations of Na2SnO3 and thioamide solution are used. The FE study is carried out in all metal Ultra High Vacuum (UHV) chamber in planar diode configuration at a base pressure of similar to 10(-8) torr. A maximum current density of 110 mu A/cm(2) was attainable. The turn on field required to draw a current density of 1 mu A/cm(2) is found to be 2.6 V/mu m. A separate study was carried out to investigate the photosensitivity of the emitter by illuminating the specimen under visible light. In dark, the FN plot is non-linear, indicative of semiconductor nature of the emitter. However, on illumination, the FN plot is observed to be linear. This remarkable change can be explained by the photoconductivity imparted on illumination. The field at the tip is high in presence of light, than in dark, due to enhanced conductivity. It is also observed that on switching ON the light, the FE current increases almost instantaneously. Repetitive switching is observed at a fixed applied voltage, generating current pulses. The visible light soaking of the sample is carried out by illuminating the lamp for more than 100 minutes, where the current seems to saturate. On switching off the lamp the emission current decayed almost to its initial value exponentially. The photosensitivity has been studied for different wavelengths in the visible spectra. The maximum photosensitive field emission is observed for green filter. With this photoresponse, it is envisaged that SnS2 nanosheets are a potential candidate for optoelectronic applications of field emitters.

}, keywords = {field emission, photosensitivity, Photoswitching}, isbn = {978-1-4799-5306-6}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Rout, Chandra Shekhar and Late, Dattatray J.}, editor = {Tsujino, S and Gobrecht, J and Paraliev, M and Braun, HH and Groening, O and Feurer, T} } @article {46364, title = {Polarization switching characteristics of 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) lead free ferroelectric thin films by pulsed laser deposition}, journal = {JOURNAL OF APPLIED PHYSICS}, volume = {115}, year = {2014}, month = {APR }, pages = {154102}, type = {Article}, abstract = {

We report on the ferroelectricity for morphotropic-phase-boundary lead (Pb) free 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) (0.5BZT-0.5BCT) thin films. Thin films were grown on Pt/Ti/SiO2/Si substrate using pulsed laser deposition. Raman spectroscopic data combined with the X-ray diffraction analyses confirm body centered tetragonal crystallographic structure 0.5BZT-0.5 BCT thin films on Pt/Ti/SiO2/Si. Polarization studies demonstrate that these 0.5BZT-0.5BCT films exhibit a large remnant and saturation polarization of 37 mu C/cm(2) and 40 mu C/cm(2), respectively, with a coercive field of 140 kV/cm. A correlation between polarization dynamics, structural distortion, and phonon vibration is established. The splitting of X-ray diffraction peak of the thin film in the 2 theta range of 44.5 degrees to 46.5 degrees represents high degree of tetragonality. The tetragonality factor calculated by Rietveld analysis was found to be 0.006 and can be a major cause for the increased remnant polarization value. It is established from Raman spectra that the non-centrosymmetricity due to the displacement of Ti/Zr ions from its octahedral position is related to the peak position as well as the broadening of the A(1) (LO) optical phonon mode. This increase of broadness in the thin film causes an increase in the dipole moment of the unit cell and, hence, the net increase in polarization values. (C) 2014 AIP Publishing LLC.

}, issn = {0021-8979}, doi = {10.1063/1.4871673}, author = {Kolekar, Y. D. and Bhaumik, A. and Shaikh, P. A. and Ramana, C. V. and Ghosh, K.} } @article { ISI:000337097500019, title = {Polybenzimidazole based film forming polymeric ionic liquids: synthesis and effects of cation-anion variation on their physical properties}, journal = {Polymer Chemistry}, volume = {5}, number = {13}, year = {2014}, month = {FEB}, pages = {4083-4096}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Polymeric ionic liquids (PILs) are gaining wide attention due to their tunable properties and applicability in various upcoming areas, including membranes for CO2 separation. The known methodologies yield PILs that are difficult to convert into film form. The present work investigates a synthetic approach for obtaining PILs based on a strong film forming with a fully aromatic rigid backbone while incorporating ionic liquid character in it. Three structurally different polybenzimidazoles (PBI-I, PBI-BuI and ABPBI) were N-quaternized by a methyl group, followed by iodide exchange with various promising anions. The extent of iodide exchange by another anion was high enough (\>94\% in most cases). Most of the resulting PILs with various anions offer mechanically strong films, with the exception of those based on acetate and benzoate as an anion. Although the base PBI has excellent film forming ability, this result conveyed the role of anion in governing the film forming ability of the PIL. Salient features of this methodology include a fully aromatic polycation backbone, wide structural tunability (by virtue of variation not only of the anion/cation, but also with N-substituent) and introducing two IL characters per repeat unit of a PIL (except for PILs based on ABPBI). Attempted PIL structural variations showed diverse property variations in bulk and surface properties (solvent solubility, contact angle, water sorption, thermal stability, polyelectrolyte behaviour, CO2 sorption and ionic conductivity). Mechanical properties of film forming PILs exhibited high enough tensile strength, conveying their applicability as membrane materials.

}, issn = {1759-9954}, doi = {10.1039/c3py01709e}, author = {Bhavsar, Rupesh S. and Kumbharkar, Santosh C. and Rewar, Anita S. and Kharul, Ulhas 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 { ISI:000330822000009, title = {Polystyrene/TiO2 composite electrospun fibers as fillers for poly(butylene succinate-co-adipate): Structure, morphology and properties}, journal = {European Polymer Journal}, volume = {50}, year = {2014}, month = {JAN}, pages = {78-86}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this work, composite polystyrene/titanium dioxide (PS/TiO2) electrospun fibers were used as a reinforcement for a poly(butylene succinate-co-adipate) (PBSA) matrix. The structure, morphology, mechanical properties and degradation behavior of such materials were investigated, finding that, as a function of their TiO2 content, the fibers exerted different effects. The main mechanism through which the fibers modified the structure and morphology of the polymer matrix is by altering its crystallization kinetics. The presence of TiO2 modified the roughness of the fibers and therefore affected the interfacial adhesion between the filler and the matrix. The modulus of PBSA was improved, even though the brittleness of the materials was increased by the presence of the fibers. Different amounts of TiO2 within the fibers allowed to tune the hydrolytic degradation rate of the composites. This paper shows the potential of using composite electrospun fibers as effective fillers for the preparation of polymer-based composites. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable polymers, Degradation, electrospinning, Morphology, Nanocomposites, Polycaprolactone}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2013.11.002}, author = {Neppalli, Ramesh and Causin, Valerio and Benetti, Edmondo Maria and Ray, Suprakas Sinha and Esposito, Antonella and Wanjale, Santosh and Birajdar, Mallinath S. and Saiter, Jean-Marc and Marigo, Antonio} } @article { ISI:000332124800027, title = {Post modification of MOF derived carbon via g-C3N4 entrapment for an efficient metal-free oxygen reduction reaction}, journal = {Chemical Communications}, volume = {50}, number = {25}, year = {2014}, month = {FEB}, pages = {3363-3366}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

High surface area carbon with a nitrogen content of 7.0\% is derived from MOF via in situ g-C3N4 formation. The material shows excellent ORR activity with an onset potential of 0.035 V (vs. Hg/HgO) in alkaline medium apart from high durability and strong disinclination towards methanol crossover.

}, issn = {1359-7345}, doi = {10.1039/c3cc47620k}, author = {Pandiaraj, Sekar and Aiyappa, Harshitha Barike and Banerjee, Rahul and Kurungot, Sreekumar} } @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:000345826100018, title = {Preferential growth of Au on CdSe quantum dots using langmuir-blodgett technique}, journal = {RSC Advances}, volume = {4}, number = {110}, year = {2014}, month = {NOV}, pages = {64535-64541}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe quantum dots (QD) were synthesised by hot injection technique. These QDs formed a self-assembled monolayer on an aqueous subphase of a Langmuir-Blodgett (LB) trough. Here, in this report we introduced a simple but very efficient route to form a metal (Au)-QD hybrid nanostructure via the LB technique. In this method, the metal counterpart of the hybrid nanostructure could be deposited exclusively on one side of the QDs. The formation of stable monolayer of QDs was evidenced from a surface pressure-area (P-A) isotherm. The development of gold tip was confirmed and monitored by detailed TEM study on the monolayer deposited on TEM grids from the LB trough. Other characterizations like UV-Vis spectroscopy, FTIR, XPS and EDX also suggested the same. Oleyl amine was shown to act both as a reducing agent as well as a capping agent in this strategy.

}, issn = {2046-2069}, doi = {10.1039/c4ra11715h}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000346322200011, title = {Process optimization by response surface methodology and kinetic modeling for synthesis of methyl oleate biodiesel over H3PW12O40 anchored montmorillonite K10}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18690-18698}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Heterogeneous acid catalysts comprised of 1030\% (w/w) H3PW12O40 anchored to montmorillonite (K10) were used for synthesis of methyl oleate biodiesel by esterification of free fatty acid (oleic acid) with methanol in closed batch system. Response surface methodology (RSM) was employed to optimize esterification of oleic acid with methanol over 20\% (w/w) H3PW12O40/K-10. The effects of various process parameters such as catalyst loading, molar ratio, and reaction temperature on oleic acid conversion were addressed by BoxBehnken experimental design (BBD). Coefficient of determination (R-2) of this model was 0.996. 20\% (w/w) H3PW12O40/K-10 was proved to be potential catalyst with 100\% oleic acid conversion at optimized process parameters and with reusability of four cycles. Moreover, a second-order pseudohomogeneous (PH) kinetic model has been proposed and validated (R-2 \> 0.97) with experimental data. Kinetics confirmed that esterification reaction is performed in the kinetic regime due to high activation energy of 43.7 kJ mol(-1).

}, issn = {0888-5885}, doi = {10.1021/ie500672v}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000340350900018, title = {Production of octyl levulinate biolubricant over modified H-ZSM-5: Optimization by response surface methodology}, journal = {Journal of Energy Chemistry}, volume = {23}, number = {4}, year = {2014}, month = {JUL}, pages = {535-541}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present study highlighted the use of modified H-ZSM-5 (Meso-HZ-5) as heterogeneous catalyst for the synthesis of octyl levulinate biolubricant by catalytic esterification of biomass derived renewable levulinic acid (LA) with n-octanol. The process variables such as catalyst loading (X-1), n-octanol to LA molar ratio (X-2) and reaction temperature (X-3) were optimized through response surface methodology (RSM), using Box-Behnken model. Analysis of variance was performed to determine the adequacy and significance of the quadratic model. The yield of octyl levulinate was obtained to be 99\% at optimum process parameters. The developed quadratic model was found to be adequate and statistically accurate with correlation value (R-2) of 0.9971 to predict the yield of octyl levulinate biolubricant. The study was also extended on the validation of theoretical and experimental data, including catalyst reusability.

}, keywords = {biolubricant, Esterification, H-ZSM-5, levulinic acid, octyl levulinate, Response surface methodology}, issn = {2095-4956}, doi = {10.1016/S2095-4956(14)60182-0}, author = {Nandiwale, Kakasaheb Y. and Yadava, Sunil K. and Bokade, Vijay V.} } @article { ISI:000334421100007, title = {Protein-coated polymer as a matrix for enzyme immobilization: immobilization of trypsin on bovine serum albumin-coated allyl glycidyl ether-ethylene glycol dimethacrylate copolymer}, journal = {Biotechnology Progress}, volume = {30}, number = {2}, year = {2014}, month = {MAR}, pages = {317-323}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25\% crosslink density (AGE-25) shows excellent bovine serum albumin (BSA) adsorption (up to 16\% (w/w)) at pH 8.0 and the adsorbed BSA is strongly bound. This protein-coated polymer provides a novel matrix with naturally existing functional groups such as thiol, amino, and carboxylic acid that are available for covalent immobilization of functional enzymes. Employing appropriate strategies, trypsin as a model protein was covalently bound to BSA-coated matrix both independently, and in a stepwise manner on the same matrix, with less than 5\% loss of enzyme activity during immobilization. Glutaraldehyde crosslinking after immobilization provide stable enzyme preparation with activity of 510 units/g recycled up to six times without loss of enzyme activity. AFM studies reveal that the polymer surface has protein peaks and valleys rather than a uniform monolayer distribution of the protein and the immobilized enzyme preparation can best be described as polymer supported cross-linked enzyme aggregates (CLEAs). (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 30:317-323, 2014

}, keywords = {allyl glycidyl ether, Bovine serum albumin, ethylene glycol dimethacrylate, Immobilization, Trypsin}, issn = {8756-7938}, doi = {10.1002/btpr.1871}, author = {Jasti, Lakshmi Swarnalatha and Dola, Sandhya Rani and Kumaraguru, Thenkrishnan and Bajja, Sreedhar and Fadnavis, Nitin W. and Addepally, Uma and Rajdeo, Kishor and Ponrathnam, Surendra and Deokar, Sarika Babasaheb} } @article {43330, title = {Proteomic analysis of human plasma in chronic rheumatic mitral stenosis reveals proteins involved in the complement and coagulation cascade}, journal = {Clinical Proteomics}, volume = {11}, year = {2014}, month = {SEP}, pages = {Article Number: 35}, abstract = {Background: Rheumatic fever in childhood is the most common cause of Mitral Stenosis in developing countries. The disease is characterized by damaged and deformed mitral valves predisposing them to scarring and narrowing (stenosis) that results in left atrial hypertrophy followed by heart failure. Presently, echocardiography is the main imaging technique used to diagnose Mitral Stenosis. Despite the high prevalence and increased morbidity, no biochemical indicators are available for prediction, diagnosis and management of the disease. Adopting a proteomic approach to study Rheumatic Mitral Stenosis may therefore throw some light in this direction. In our study, we undertook plasma proteomics of human subjects suffering from Rheumatic Mitral Stenosis (n = 6) and Control subjects (n = 6). Six plasma samples, three each from the control and patient groups were pooled and subjected to low abundance protein enrichment. Pooled plasma samples (crude and equalized) were then subjected to in-solution trypsin digestion separately. Digests were analyzed using nano LC-MSE. Data was acquired with the Protein Lynx Global Server v2.5.2 software and searches made against reviewed Homo sapiens database (UniProtKB) for protein identification. Label-free protein quantification was performed in crude plasma only. }, doi = {10.1186/1559-0275-11-35}, author = {Mukherjee, Somaditya and Jagadeeshaprasad, Mashanipalya G. and Banerjee, Tanima and Ghosh, Sudip K. and Biswas, Monodeep and Dutta, Santanu and Kulkarni, Mahesh J. and Pattari, Sanjib and Bandyopadhyay, Arun} } @article { ISI:000339880300021, title = {Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463}, journal = {Applied Microbiology and Biotechnology}, volume = {98}, number = {15}, year = {2014}, month = {AUG}, pages = {6761-6773}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Arsenic, Exiguobacterium, proteomics, Stress, Transcriptomics}, issn = {0175-7598}, doi = {10.1007/s00253-014-5873-6}, author = {Sacheti, Poonam and Patil, Rajendra and Dube, Ankita and Bhonsle, Hemangi S. and Thombre, Dipalee and Marathe, Sayali and Vidhate, Ravindra and Wagh, Priyanka and Kulkarni, Mahesh J. and Rapole, Srikanth and Gade, Wasudeo N.} } @article { ISI:000329791800007, title = {Pseudo-homogeneous kinetic model for esterification of acetic acid with propanol isomers over dodecatungstophosphoric acid supported on montmorillonite k10}, journal = {Journal of Physical Organic Chemistry}, volume = {27}, number = {2}, year = {2014}, month = {FEB}, pages = {121-127}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Esterification of acetic acid with propanol isomers such as isopropanol and naEuropropanol was carried out over dodecatungstophosphoric acid (DTPA), dodecamolybdophosphoric acid ammonium salt hydrate, and sodium tungstate hydrated purified supported on montmorillonite K10, which were characterized by powder XaEuroray diffraction, BrunaueraEuro{\textquoteright}EmmettaEuro{\textquoteright}Teller, and temperature programmed ammonia desorption. A pseudoaEurohomogeneous (PaEuroH) kinetic model was established for esterification of acetic acid with propanol isomers over DTPA supported on montmorillonite K10. Effects of various parameters such as reaction time, speed of agitation, particle size, temperature, percent catalyst loading, molar ratio and mixture of propanol isomer were investigated in detail. The 20\% (w/w) DTPA/K10 was found to be an optimum solid catalyst with 82\% naEuropropanol and 53\% isopropanol conversion with 100\% selectivity toward propyl acetate. The 20\% (w/w) DTPA/K10 catalyst was found to be reusable for three cycles. The reaction follows secondaEuroorder kinetics with activation energies of 25.53aEuro?kJaEuro?mol(a?{\textquoteright}1) and 28.15aEuro?kJaEuro?mol(a?{\textquoteright}1) for isopropanol and naEuropropanol, respectively. PseudoaEurohomogeneous kinetic model fitted with R-2 value of trend line 0.999. This implies that esterification reaction is kinetically controlled owing to high activation energy. Copyright a (c) 2013 John Wiley \& Sons, Ltd.

}, keywords = {Acetic acid, dodecatungstophosphoric acid, Esterification, kinetic model, montmorillonite K10}, issn = {0894-3230}, doi = {10.1002/poc.3249}, author = {Gurav, Hanumant R. and Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000328892300038, title = {Quantum confinement controlled solar hydrogen production from hydrogen sulfide using a highly stable CdS0.5Se0.5/CdSe quantum dot-glass nanosystem}, journal = {Nanoscale}, volume = {6}, number = {2}, year = {2014}, month = {OCT}, pages = {908-915}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have demonstrated unique CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems with quantum confinement effect. The stable, monodispersed CdS0.5Se0.5 and CdSe quantum dots (QDs) of size 2 to 12 nm have been grown in a germanate glass matrix by a simple melt quench technique at moderate temperature. XRD and Raman studies show formation of hexagonal CdS0.5Se0.5 and CdSe in the glass matrix. The quantum confinement of CdS0.5Se0.5 and CdSe was studied using TEM and UV-Vis spectroscopy. The band gap of the glass nanosystem was tuned from 3.6 to 1.8 eV by controlling the CdS0.5Se0.5 quantum dot size in the glass matrix. It can be further tuned to 1.68 eV using growth of CdSe quantum dots in the glass matrix. Considering the tuneable band gap of the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystem for the visible light absorption, a study of size tuneable photocatalytic activity for hydrogen generation from hydrogen sulfide splitting was performed under visible light irradiation for the first time. The utmost hydrogen evolution, i.e. 8164.53 and 7257.36 mu mol h(-1) g(-1) was obtained for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. The apparent quantum yield (AQY) was observed to be 26\% and 21\% for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. It is noteworthy that the present glass nanosystem as a photocatalyst was found to be very stable as compared to naked powder photocatalysts.

}, issn = {2040-3364}, doi = {10.1039/c3nr04898e}, author = {Apte, Sanjay K. and Garaje, Sunil N. and Naik, Sonali D. and Waichal, Rupali P. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000342719500042, title = {Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones}, journal = {Organic Letters}, volume = {16}, number = {19}, year = {2014}, month = {OCT}, pages = {5132-5135}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An operationally simple multicomponent coupling involving in situ generated arynes from 2 (trimethylsilyl)aryl triflates, phosphines, and various acyclic and cyclic activated carbonyl compounds has been developed. The reaction proceeds via a formal [3 + 2] cycloaddition mode giving access to differently substituted (spiro)benzoxaphosphole derivatives in moderate to good yields Mild reaction conditions. a broad scope. and the possibility of varying all the three-components are the notable features of the present reaction.

}, issn = {1523-7060}, doi = {10.1021/ol502490t}, author = {Bhunia, Anup and Roy, Tony and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000336442600003, title = {Rapid efficient synthesis and characterization of silver, gold, and bimetallic nanoparticles from the medicinal plant plumbago zeylanica and their application in biofilm control}, journal = {International Journal of Nanomedicine}, volume = {9}, year = {2014}, month = {MAY}, pages = {2635-2653}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {

Background: Nanoparticles (NPs) have gained significance in medical fields due to their high surface-area-to-volume ratio. In this study, we synthesized NPs from a medicinally important plant - Plumbago zeylanica. Materials and methods: Aqueous root extract of P. zeylanica (PZRE) was analyzed for the presence of flavonoids, sugars, and organic acids using high-performance thin-layer chromatography (HPTLC), gas chromatography-time of flight-mass spectrometry (GC-TOF-MS), and biochemical methods. The silver NPs (AgNPs), gold NPs (AuNPs), and bimetallic NPs (AgAuNPs) were synthesized from root extract and characterized using ultraviolet-visible spectra, X-ray diffraction (XRD), energy-dispersive spectrometry (EDS), transmission electron microscopy (TEM), and dynamic light scattering (DLS). The effects of these NPs on Acinetobacter baumannii, Staphylococcus aureus, and Escherichia coli biofilms were studied using quantitative biofilm inhibition and disruption assays, as well as using fluorescence, scanning electron microscopy, and atomic force microscopy. Results: PZRE showed the presence of phenolics, such as plumbagin, and flavonoids, in addition to citric acid, sucrose, glucose, fructose, and starch, using HPTLC, GC-TOF-MS, and quantitative analysis. Bioreduction of silver nitrate (AgNO3) and chloroauric acid (HAuCl4) were confirmed at absorbances of 440 nm (AgNPs), 570 nm (AuNPs), and 540 nm (AgAuNPs), respectively. The maximum rate of synthesis at 50 degrees C was achieved with 5 mM AgNO3 within 4.5 hours for AgNPs; and with 0.7 mM HAuCl4 within 5 hours for AuNPs. The synthesis of AgAuNPs, which completed within 90 minutes with 0.7 mM AgNO3 and HAuCl4, was found to be the fastest. Fourier-transform infrared spectroscopy confirmed bioreduction, while EDS and XRD patterns confirmed purity and the crystalline nature of the NPs, respectively. TEM micrographs and DLS showed about 60 nm monodispersed Ag nanospheres, 20-30 nm Au nanospheres adhering to form Au nanotriangles, and about 90 nm hexagonal blunt-ended AgAuNPs. These NPs also showed antimicrobial and antibiofilm activity against E. coli, A. baumannii, S. aureus, and a mixed culture of A. baumannii and S. aureus. AgNPs inhibited biofilm in the range of 96\%-99\% and AgAuNPs from 93\% to 98\% in single-culture biofilms. AuNPs also showed biofilm inhibition, with the highest of 98\% in S. aureus. AgNPs also showed good biofilm disruption, with the highest of 88\% in A. baumannii. Conclusion: This is the first report on rapid and efficient synthesis of AgNPs, AuNPs and AgAuNPs from P. zeylanica and their effect on quantitative inhibition and disruption of bacterial biofilms.

}, keywords = {AgAuNPs, AgNPs, AuNPs, biofilm inhibition and disruption, GC-TOF-MS, P. zeylanica}, issn = {1178-2013}, doi = {10.2147/IJN.S59834}, author = {Salunke, Gayatri R. and Ghosh, Sougata and Kumar, R. J. Santosh and Khade, Samiksha and Vashisth, Priya and Kale, Trupti S. and Chopade, Snehal and Pruthi, Vikas and Kundu, Gopal and Bellare, Jayesh R. and Chopade, Balu Ananda} } @article { ISI:000339661100021, title = {Remote trap passivation in colloidal quantum dot bulk nano-heterojunctions and its effect in solution-processed solar cells}, journal = {Advanced Materials}, volume = {26}, number = {27}, year = {2014}, month = {JUL}, pages = {4741+}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

More-efficient charge collection and suppressed trap recombination in colloidal quantum dot (CQD) solar cells is achieved by means of a bulk nano-heterojunction (BNH) structure, in which p-type and n-type materials are blended on the nanometer scale. The improved performance of the BNH devices, compared with that of bilayer devices, is displayed in higher photocurrents and higher open-circuit voltages (resulting from a trap passivation mechanism).

}, issn = {0935-9648}, doi = {10.1002/adma.201400297}, author = {Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Stavrinadis, Alexandros and Lasanta, Tania and Bernechea, Maria and Diedenhofen, Silke L. and Konstantatos, Gerasimos} } @article {46379, title = {Role of hydrogen bonding in pseudocapacitance of covalent organic frameworks}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C1149}, type = {Meeting Abstract}, keywords = {COF, H-bonding, pseudocapacitance}, issn = {2053-2733}, author = {Chandra, Suman and Banerjee, Rahul} } @article { ISI:000350657700011, title = {Role of structure and entropy in determining differences in dynamics for glass formers with different interaction potentials}, journal = {Physical Review Letters}, volume = {113}, number = {22}, year = {2014}, month = {NOV}, pages = {225701}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We present a study of two model liquids with different interaction potentials, exhibiting similar structure but significantly different dynamics at low temperatures. By evaluating the configurational entropy, we show that the differences in the dynamics of these systems can be understood in terms of their thermodynamic differences. Analyzing their structure, we demonstrate that differences in pair correlation functions between the two systems, through their contribution to the entropy, dominate the differences in their dynamics, and indeed overestimate the differences. Including the contribution of higher order structural correlations to the entropy leads to smaller estimates for the relaxation times, as well as smaller differences between the two studied systems.

}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.113.225701}, author = {Banerjee, Atreyee and Sengupta, Shiladitya and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article { ISI:000346214100014, title = {SBA-15 intercalated Mg-Al hydrotalcite: an environmental friendly catalyst for hydroisomerization of olefin}, journal = {Applied Catalysis A-General}, volume = {488}, year = {2014}, month = {NOV}, pages = {119-127}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SBA-15 Molecular sieve-intercalated Mg-Al hydrotalcite (MASBA-HT) was synthesized for the first time by a simple straightforward method. The intercalation of SBA-15 molecular sieve between the interlayer of HT was evident from powder XRD, TEM and FT-IR studies. The presence of SBA-15 facilitates retention of the layered structure for first time, even after calcination at high temperature of 550 degrees C. The resultant material possesses moderate acidity which comes from incorporation of aluminum into the framework of SBA-15 and also contained soluble basicity similar to HT materials. The material shows promising activity for hydroisomerization of 1-octene resulting in good substrate conversion (80\%) and branched isomers selectivity (45\%). The catalytic activity remains constant over longer duration and repeated runs. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Branched alkenes, Hydroisomerization, Intercalated-hydrotalcite, layered materials, Mesoporous SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.09.024}, author = {Baskaran, Thangaraj and Christopher, Jayaraj and Ajithkumar, Thalasseril G. and Sakthivel, Ayyamperumal} } @article { ISI:000338011200013, title = {Scaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures}, journal = {Advanced Functional Materials}, volume = {24}, number = {25}, year = {2014}, month = {JUL}, pages = {3962-3969}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Resistive switching (RS) of (001) epitaxial multiferroic BiFeO3/La0.67Sr0.33MnO3/SrTiO3 heterostructures is investigated for varying lengths scales in both the thickness and lateral directions. Macroscale current-voltage analyses in conjunction with local conduction atomic force microscopy (CAFM) reveal that whilst both the local and global resistive states are strongly driven by polarization direction, the type of conduction mechanism is different for each distinct thickness regime. Electrode-area dependent studies confirm the RS is dominated by an interface mechanism and not by filamentary formation. Furthermore, CAFM maps allow deconvolution of the roles played by domains and domain walls during the RS process. It is shown that the net polarization direction, and not domain walls, controls the conduction process. An interface mechanism based on barrier height and width alteration due to polarization reversal is proposed, and the role of electronic reconstruction at the interface is further investigated.

}, issn = {1616-301X}, doi = {10.1002/adfm.201400110}, author = {Rana, Abhimanyu and Lu, Haidong and Bogle, Kashinath A. and Zhang, Qi and Vasudevan, Rama and Thakare, Vishal and Gruverman, Alexei and Ogale, Satishchandra and Valanoor, Nagarajan} } @article { ISI:000340427600056, title = {Selective synthesis of propofol (2,6-diisopropylphenol), an intravenous anesthetic drug, by isopropylation of phenol over H-beta and H-mordenite}, journal = {RSC Advances}, volume = {4}, number = {61}, year = {2014}, month = {JUL}, pages = {32467-32474}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Propofol (2,6-diisopropylphenol/DIPP) is the world{\textquoteright}s most widely used intravenous general anesthetic and is typically synthesized by isopropylation of phenol over an acid catalyst. It is highly difficult to stabilize bio-oil containing phenolic compounds. The isopropylation of this phenol (a model compound representing species in bio-oils) is one of the options to stabilize the bio-oil and convert it into valuable products. Probably for the first time, H-beta- and H-mordenite-catalysed vapour phase isopropylation of phenol with isopropyl alcohol (IPA) was studied to selectively synthesize DIPP. The optimization of various operating parameters such as molar ratio (phenol : IPA), weight hourly space velocity (WHSV), reaction temperature and time on stream were performed. H-beta (94\% phenol conv. and 56\% DIPP sel.) was found to be a potential and more active catalyst than H-mordenite (68\% phenol conv. and 43\% DIPP sel.) at optimized process parameters. A kinetic model is proposed to probe the intricate reaction kinetics and validated (R-2 \> 0.98) by the experimental results. H-beta catalyst was observed to be stable for more than 25 h with 94\% phenol conversion and 56\% selectivity towards DIPP at optimized process parameters. The phenol conversion and DIPP selectivity obtained in the present study are higher than those reported so far. The activation energy obtained for isopropylation of phenol with IPA over H-beta is calculated to be 25.39 kJ mol(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra03004d}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000340208400016, title = {Silica and zirconia supported tungsten, molybdenum and gallium oxide catalysts for the synthesis of furfural}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {9}, year = {2014}, month = {JUN}, pages = {2904-2907}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

SiO2 and ZrO2 supported W, Mo and Ga oxide catalysts were prepared by a sol-gel and wet-impregnation method. The 10 wt\% WO3/SiO2 (sol-gel) catalyst showed 61 +/- 2\% furfural yield from hemicellulose in a one-pot fashion for at least 8 cycles. Based on XRD, TPD and Hammett acidity characterizations, the catalyst structure-activity correlation was drawn.

}, issn = {2044-4753}, doi = {10.1039/c4cy00530a}, author = {Bhaumik, Prasenjit and Kane, Tanushree and Dhepe, Paresh Laxmikant} } @article { ISI:000344471800052, title = {Simple molecular engineering of glycol nucleic acid: progression from self-pairing to cross-pairing with cDNA and RNA}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {22}, number = {21}, year = {2014}, month = {NOV}, pages = {6227-6232}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The acyclic chiral nucleic acid analogue, Glycol Nucleic Acid (GNA), displayed exceptional structural simplicity and atom economy while forming self-paired duplexes, using canonical Watson-Crick base pairing. We disclose here that the replacement of phosphodiester linker in GNA with somewhat rigid and shorter carbamate linker in Glycol Carbamate Nucleic Acid (GCNA) backbone allows unprecedented stability to the antiparallel self-paired duplexes. The R-GCNA oligomers were further found to form cross-paired antiparallel duplexes with cDNA and RNA following Watson-Crick base pairing. The stability of cross-paired GCNA: DNA and GCNA: RNA duplexes was higher than the corresponding DNA: DNA and DNA: RNA duplexes. The chiral (R) and (S) precursors were easily accessible from naturally occurring L-serine. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Acyclic chiral nucleic acid, Cross-pairing, GCNA, GNA, Self-pairing}, issn = {0968-0896}, doi = {10.1016/j.bmc.2014.08.022}, author = {Bose, Tanaya and Kumar, Vaijayanti A.} } @article { ISI:000346266000076, title = {Single-layer MoSe2 based NH3 gas sensor}, journal = {Applied Physics Letters}, volume = {105}, number = {23}, year = {2014}, month = {DEC}, pages = {233103}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

High performance chemical sensor is highly desirable to detect traces of toxic gas molecules. Two dimensional (2D) transition metal dichalcogenides (TMDC) semiconducting materials has attracted as high performance gas sensor device applications due to unique properties such as high surface to volume ratio. Here, we describe the utilization of single-layer MoSe2 as high-performance room temperature NH3 gas sensors. Our single-layer MoSe2 based gas sensor device shows comprehensible detection of NH3 gas down to 50 ppm. We also confirmed gas sensing measurement by recording the Raman spectra before and after exposing the device to NH3 gas, which subsequently shows the shift due to charger transfer and analyte gas molecule adsorption on surface of single-layer MoSe2 nanosheet. Our investigations show the potential use of single-layer and few layer thick MoSe2 and other TMDC as high-performance gas sensors. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4903358}, author = {Late, Dattatray J. and Doneux, Thomas and Bougouma, Moussa} } @article { ISI:000330812400022, title = {Single-pot formation of THFAL via catalytic hydrogenation of FFR over Pd/MFI catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {2}, year = {2014}, month = {FEB}, pages = {272-281}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Furfural (FFR) was selectively hydrogenated in a single pot to tetrahydrofurfuryl alcohol (THFAL) over a Si MFI molecular sieve supported Pd catalyst. Studies on catalyst screening revealed that both the metal function and the support were critical for directing the selectivity to the ringhydrogenated product, THFAL. The structural feature of MFI as shown by XRD was completely retained in the used sample of the 3\% Pd/MFI catalyst confirming its stability under reaction conditions. XRD, along with SEM characterization of the used samples, established retention of morphology of the structured silicate, suggesting a strong interaction between hexagonal porous silicate and Pd particles. The complete conversion of FFR with an enhanced selectivity of 95\% to THFAL could be achieved by recycling the crude of the first hydrogenation experiment over the same 3\% Pd/MFI catalyst.

}, keywords = {Biomass conversion, Hydrogenation, Pd/MFI, Recyclability, THFAL}, issn = {2168-0485}, doi = {10.1021/sc400302b}, author = {Biradar, Narayan S. and Hengne, Amol M. and Birajdar, Shobha N. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Rode, Chandrashekhar V.} } @article { ISI:000338042500053, title = {Smallest organocatalyst in highly enantioselective direct aldol reaction in wet solvent-free conditions}, journal = {RSC Advances}, volume = {4}, number = {46}, year = {2014}, month = {MAY}, pages = {24311-24315}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The catalytic efficacy of the smallest organocatalyst, L-proline hydrazide, prepared from a cheaply available natural amino acid, such as L-proline, was studied for the direct asymmetric aldol reaction of various ketones with aromatic aldehydes at room temperature in the presence of several acid additives. A loading of 10 mol\% of catalyst 1 and p-toluenesulphonic acid as an additive was employed in this reaction, and good yields (up to 99\%) with high anti/syn diastereoselectivities (up to 95 : 5) and enantioselectivities (up to \>99.9\%) were achieved in aqueous media.

}, issn = {2046-2069}, doi = {10.1039/c4ra02690j}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @article { ISI:000336351800043, title = {Solar photocatalytic degradation of methylene blue using doped TiO2 nanoparticles}, journal = {Solar Energy}, volume = {103}, year = {2014}, month = {MAY}, pages = {473-479}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Doped-TiO2 nanoparticles (M:TiO2: Fe, Zn, Zr, Sb, Ce and nM:TiO2: B, C, N, P, S) with anatase structure were prepared by sol-gel method and characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM), X-ray photoelectron spectra (XPS), Brunauer-Teller method (BET), UV-Vis diffuses reflectance spectroscopy (DRS). Results revealed that the anatase structure is highly stable for all doped TiO2 prepared compounds with enhancement in the surface area. UV-Vis diffuse reflectance spectra showed that these dopants were responsible for narrowing the band gap of TiO2 and shifting its optical response from ultraviolet to visible-light region. The photocatalytic activities of these multi-doped TiO2 catalysts were investigated by degradation methylene blue in aqueous solution under solar-light illumination. The results showed an appreciable enhancement in the photoactivity of the C-doped TiO2 as compared to other multi-doped TiO2 because of the formation of Ti+3 species which prevent the recombination of electron-hole pairs in C-doped TiO2. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon, iron, Methylene blue, Solar photocatalysis}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.02.043}, author = {Bhosale, R. R. and Pujari, S. R. and Muley, G. G. and Patil, S. H. and Patil, K. R. and Shaikh, M. F. and Gambhire, A. B.} } @article {46376, title = {Structural characterization of a UbiA superfamily member of archaeal origin}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C401}, type = {Meeting Abstract}, keywords = {Lipid biosynthesis, UbiA superfamily}, issn = {2053-2733}, author = {Boral, Debjyoti and Ramasamy, Suresh Kumar} } @article { ISI:000345082000021, title = {Structural diversity in serine derived homochiral metal organic frameworks}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {5, SI}, year = {2014}, month = {SEP}, pages = {1399-1408}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Two new Zn(II) and Cd(II) based homochiral metal-organic frameworks (MOFs) [SerCdOAc and Zn(Ser)(2)] have been synthesized using pyridyl functionalized amino acid, viz., serine, as an organic linker. The SerCdOAc structure is three dimensional, while that of the Zn(Ser)(2) is two dimensional. The polar voids of the corresponding MOFs are filled with solvent molecules (water in the case of SerCdOAc and methanol in the case of Zn(Ser)(2)). In both cases, metal centres, i.e., Zn(II) and Cd(II), are hexacoordinated. However, with a change in the solvent for synthesis, ligand coordination mode and incorporation of additional coordinated anion resulted in a great change in the final MOF architecture. Herein, for the first time, we could achieve structural variety and synthesize MOFs composed of only metal ion and pyridyl functionalized amino acid linker.

}, keywords = {Amino acid, crystal engineering, hydrogen bonding, metal organic framework}, issn = {0974-3626}, doi = {10.1007/s12039-014-0714-9}, author = {Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000338423600051, title = {Structure function attributes of gold nanoparticle vaccine association: effect of particle size and association temperature}, journal = {International Journal of Pharmaceutics}, volume = {471}, number = {1-2}, year = {2014}, month = {AUG}, pages = {439-448}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Many biotherapeutic applications of gold nanoparticles make use of conjugated or adsorbed protein moieties. Physical parameters of association such as particle size, morphology, surface chemistry and temperature influences the protein-nanoparticle association and thereby their interaction with the biological environment. In present study, effect of size of chitosan reduced gold nanoparticles (CsAuNPs) and association temperature on structure and function of tetanus toxoid (TT) vaccine has been investigated. CsAuNPs were synthesized in the sizes of 20 + 3, 40 + 5 and 80 + 7 nm followed by loading of TT. Binding process of CsAuNPs with TT was investigated at their predetermined micro molar concentrations. Upon binding of TT onto CsAuNPs, particle surface was characterized using X-ray photoelectron spectroscopy. CD spectroscopic evaluation of TT bound 20 nm CsAuNPs led to 75\% reduction in secondary structure of TT and thereby compromised immune function. Binding of TT with 40 and 80 nm sized CsAuNPs did not cause significant modifications in secondary structure or function of TT. Thermodynamic studies using temperature dependent fluorescence spectroscopy revealed an increase in association constants with the temperature. Based on thermodynamic data three phases in CsAuNPs and TT association process were traced. Samples from these distinct phases were also investigated for immunological recognition. Ex-vivo interaction of TT-CsAuNPs with TT positive and negative sera followed by relative change in particle size and zeta potential was studied. The findings here suggests prominent role of particle size and association temperature on adsorbed TT structure and function. Such studies may help in engineering functional nanotherapeutics. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Association thermodynamics, Gold nanoparticle, Nanoparticle protein interaction, Structure function studies, Vaccine formulation}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2014.06.002}, author = {Barhate, Ganesh A. and Gaikwad, Sushama M. and Jadhav, Suresh S. and Pokharkar, Varsha B.} } @article {46398, title = {Sulfonic acid loaded self-standing covalent organic membrane for proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1150}, type = {Meeting Abstract}, keywords = {COF, Membrane, proton conduction}, issn = {2053-2733}, author = {Sasmal, Himadri Sekhar and Banerjee, Rahul} } @article { ISI:000332188100002, title = {Superior grafting and state-of-the-art interfacial electron transfer rates for newly designed geminal dicarboxylate bound ruthenium(II)- and osmium(II)-polypyridyl dyes on TiO2 nanosurface}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {3864-3877}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new Ru(II)-/Os(II)-polypyridyl based sensitizer dyes with geminal dicarboxylic acid group as the binding unit for superior grafting of the dye to TiO2 have been designed and synthesized. Steady-state photochemical studies of the two sensitizer dyes in presence of TiO2 in water confirm strong binding of the dyes to TiO2. Femtosecond transient absorption studies of these newly synthesized dyes on TiO2 nanosurface have been carried out in water and the results have been compared with those for the corresponding 4,4{\textquoteright}-dicarboxy-2,2{\textquoteright}-bipyridine analogues of the dyes. While the charge recombination rates are considerably slower, interestingly, the electron injection rates are very fast for multiple saturated C-C linkages present between the chromophoric core and the anchoring moiety. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This is the first report on the ultrafast transient absorption studies of dyes with geminal dicarboxylic acid binding groups, which we believe will add significantly to the present research efforts toward the development of robust and efficient dyes for use in dye solar applications.

}, issn = {1932-7447}, doi = {10.1021/jp4077917}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Reddy, Upendar G. and Sahu, Tuhin Subhra and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra Nath} } @article {46377, title = {Supramolecular gel to metal organic framework transformation}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C526}, type = {Meeting Abstract}, keywords = {gel, MOF, Supramolecular}, issn = {2053-2733}, author = {Chakraborty, Amit and Banerjee, Rahul} } @article {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:000341464100041, title = {Surface studies on benzophenone doped PDMS microstructures fabricated using KrF excimer laser direct write lithography}, journal = {Applied Surface Science}, volume = {314}, year = {2014}, month = {SEP}, pages = {292-300}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

his paper discusses microfabrication process for benzophenone doped polydimethylsiloxane (PDMS) using laser lithography. KrF excimer laser of 248 nm with 20 ns pulse width at repetition rate of 1 Hz was used for microfabrication of undoped and benzophenone doped PDMS. The doped-PDMS shows sensitivity below 365 nm, permitting processing under ambient light. The analysis of etch depth revealed that doped PDMS shows self developable sensitivity at lower fluence of similar to 250 mJ/cm(2). The unexposed and exposed surface was studied using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and Scanning electron microscopy (SEM). Spectrocopic analysis indicated increase in C-O, C=O, Si-O-3 and Si-O-4 bonding at the expense of Si-C and Si-O-2 bonds of PDMS. In case of laser exposed doped-PDMS, removal of benzophenone from probe depth of spectroscopy was observed. Whereas the surface morphology of exposed and unexposed doped-PDMS was observed to be same, indicating clean development of PDMS micropattems. The present study indicates that addition of 3.0 wt.\% benzophenone in PDMS enhance self development sensitivity of PDMS. The self developable results on doped-PDMS are quite encouraging for its potential use in point of care Lab-On-Chip applications, for fabricating micropattems using direct write laser lithography technology.\ 

}, keywords = {Direct write laser lithography, Microfabrication, micropatterning, Poly(dimethylsiloxane) (PDMS)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2014.06.054}, author = {Kant, Madhushree Bute and Shinde, Shashikant D. and Bodas, Dhananjay S. and Patil, K. R. and Sathe, V. G. and Adhi, K. P. and Gosavi, S. W.} } @article { ISI:000331191200046, title = {Surface synergism of an Ag-Ni/ZrO2 nanocomposite for the catalytic transfer hydrogenation of bio-derived platform molecules}, journal = {RSC Advances}, volume = {4}, number = {19}, year = {2014}, month = {FEB}, pages = {9730-9736}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Levulinic acid was completely and selectively converted to GVL, in the presence of formic acid over an Ag-Ni/ZrO2 catalyst. The synergism between Ag and Ni in transfer hydrogenation eliminates the need for external hydrogen, making the process safer. The magnetic nature of the catalyst offers easy recovery for efficient recycling. This approach is standardized for the hydrogenation of several C-3-C-6 platform molecules in an aqueous medium.

}, issn = {2046-2069}, doi = {10.1039/c3ra46495d}, author = {Hengne, Amol M. and Malawadkar, Atul V. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000341779000037, title = {Surfactant free gram scale synthesis of mesoporous Ni(OH)(2)-r-GO nanocomposite for high rate pseudocapacitor application}, journal = {RSC Advances}, volume = {4}, number = {75}, year = {2014}, month = {AUG}, pages = {39875-39883}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a single-step surfactant-free gram scale hydrothermal synthesis of mesoporous Ni(OH)(2) nanoparticles and the Ni(OH)(2)-reduced graphene oxide (Ni(OH)(2)-r-GO) nanocomposite. Interesting morphological features are noted. These nanomaterials are examined and compared as cathode materials for pseudo-capacitor application through detailed characterizations. A high specific capacitance (C-s) of 1538 F g(-1) is observed for Ni(OH)(2)-r-GO even at a high current density of 40 A g(-1), whereas at the same current rate, bare Ni(OH)(2) shows C-s of only 936 F g(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra06601d}, author = {Singh, Upendra and Banerjee, Abhik and Mhamane, Dattakumar and Suryawanshi, Anil and Upadhyay, Kush Kumar and Ogale, Satishchandra} } @article { ISI:000364541100006, title = {Syntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(II) and Ni(II) based on benzenedicarboxylate and linear N,N {\textquoteleft}-donor Schiff base linkers}, journal = {Inorganic Chemistry Frontiers}, volume = {1}, number = {5}, year = {2014}, month = {APR}, pages = {414-425}, abstract = {

{Two isostructural coordination polymers based on Co(II) and Ni(II), {[M(azpy)(3)(p-bdc)(2)(H2O)(4)]center dot(CH3OH)(2)(H2O)(3)}(n) [where M = Co (1) and Ni (2); azpy = N,N{\textquoteright}-bis-pyridin-4-ylmethylene-hydrazine and p-bdc = 1,4-benzenedicarboxylate], have been synthesized using mixed ligand systems at room temperature and characterized by single-crystal X-ray diffraction and other physicochemical methods. Structure determination reveals that both the complexes crystallize in the monoclinic space group C2/c and exhibit one-dimensional (1D) ladder like structures constructed by p-bdc and azpy ligands in which Schiff base (azpy) linkers serve as a bridging as well as pendent ligands. These pendent ligands are involved in H-bonding and pi-pi interactions with lattice water, methanol molecules and bridging azpy ligands, to form the 3D supramolecular structure. Notably, both the frameworks efficiently catalyze the Knoevenagel condensation reactions of a wide range of substituted benzaldehydes with active methylene compounds in heterogeneous medium under environmentally friendly conditions and the products were obtained in excellent yields. These catalysts were also found to exhibit excellent recyclability and re-usability without any significant loss of activity. A variable temperature magnetic study of both compounds was carried out and their magnetic properties justified on the basis of their crystal structure.

}, author = {Bhattacharya, Biswajit and Maity, Dilip Kumar and Pachfule, Pradip and Colacio, Enrique and Ghoshal, Debajyoti} } @article { ISI:000331904500008, title = {Synthesis and reactivity of magnetically diverse Au@ Ni core-shell nanostructures}, journal = {Particle \& Particle Systems Characterization}, volume = {31}, number = {2}, year = {2014}, month = {FEB}, pages = {236-244}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Core-shell bimetallic Au@Ni nanoparticles, with gold cores and thin nickel shells with overall size less than 10 nm, are synthesized and stabilized in pure cubic (fcc) and hexagonal (hcp) phase. Due to their unique crystal, electronic, and geometric structure, they show interesting magnetic and chemical properties. The Au@Ni-fcc is magnetic, whereas Au@Ni-hcp is non-magnetic. Both the bimetallic nanostructures are stable to surface oxidation until 150 degrees C and show excellent catalytic activity for p-nitrophenol reduction reaction.

}, keywords = {Au-Ni nanoparticles, bimetallic nanostructures, magnetic core-shell nanoparticles, oxidation resistance}, issn = {0934-0866}, doi = {10.1002/ppsc.201300195}, author = {Bharathan, Vysakh A. and Raj, Govind K. and Joy, Pattayil Alias and Vinod, Chathakudath P.} } @article { ISI:000340149800003, title = {Synthesis, characterization, and crystal structure determination of palladacycles of para-substituted 2-thiobenzylazobenzenes}, journal = {Journal of Coordination Chemistry}, volume = {67}, number = {10}, year = {2014}, month = {JUN}, pages = {1702-1714}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Bichelated neutral palladacycles (1-3), [Pd(L)Cl], were synthesized from reaction of the new potential tridentate (C,N,S) ligands, 2-thiobenzylazobenzene (L-1), 4{\textquoteright}-methyl-2-thiobenzylazobenzene (L-2), and 4{\textquoteright}-chloro-2-thiobenzylazobenzene (L-3) with sodium tetrachloropalladate(II), Na-2[PdCl4], in ethanol. The compounds were characterized by elemental analysis, FT-IR, H-1 NMR, UV-visible, and thermogravimetric analysis. The crystal structures of L-2 and 1-3 were determined by single-crystal X-ray diffraction. In 1-3, the geometry around palladium remains almost square planar, coordinated to carbon, nitrogen, and sulfur of the ligand forming a bichelated cyclopalladate complex. The C-H center dot center dot center dot Cl type intermolecular hydrogen bonds, weak pi center dot center dot center dot pi, C-H center dot center dot center dot pi, and van der Waals interactions are believed to be the stabilizing forces for the crystal packing of these palladacycles.

}, keywords = {2-Thiobenzylazobenzene, CNS-donor ligand, crystal structure, Palladacycles, Thermogravimetric analysis}, issn = {0095-8972}, doi = {10.1080/00958972.2014.922683}, author = {Bhattacharjee, Tirtha and Kalita, Mukul and Chakravarty, Debamitra K. and Barman, Pranjit and Puranik, Vedavati G.} } @article {42442, title = {Synthesis of functionalized coumarins and quinolinones by NHC-catalyzed annulation of modified enals with heterocyclic C-H acids}, journal = {Journal of Organic Chemistry}, volume = {79}, year = {2014}, month = {APR}, pages = {4245{\textendash}4251}, abstract = {

N-Heterocyclic carbene (NHC) catalyzed lactonization and lactamization of 2-bromoenals with heterocyclic C{\textendash}H acids proceeding via the α,β-unsaturated acyl azolium intermediates is reported. The reaction furnished coumarin- or quinolinone-fused lactone/lactam derivatives. In addition, results of the enantioselective version of this reaction using chiral NHC are presented.

}, doi = {10.1021/jo500693h}, author = {Yetra, Santhivardhana Reddy and Roy, Tony and Bhunia, Anup and Porwal, Digvijay and Biju, Akkattu T.} } @article { ISI:000343985600001, title = {Synthetic turn mimetics and hairpin nucleators: quo vadimus?}, journal = {Chemical Communications}, volume = {50}, number = {90}, year = {2014}, month = {OCT}, pages = {13874-13884}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Structural mimicry of peptides has witnessed perceptible progress in the last three decades. Reverse turn and beta-hairpin units are the smallest secondary structural motifs that are some of the most scrutinized functional cores of peptides and proteins. The practice of mimicking, without altering the function of the bioactive core, ranges from conformational locking of the basic skeleton to total replacement of structural architecture using synthetic analogues. Development of heterogeneous backbones - using unnatural residues in place of natural ones - has broadened further opportunities for efficient structural rigidification. This feature article endeavours to trail the path of progress achieved hitherto and envisage the possibilities that lie ahead in the development of synthetic turn mimetics and hairpin nucleators.

}, issn = {1359-7345}, doi = {10.1039/c4cc03114h}, author = {Nair, Roshna V. and Baravkar, Sachin B. and Ingole, Tukaram S. and Sanjayan, Gangadhar J.} } @article { ISI:000333551200039, title = {Systematic evaluation of tetra-n-butyl ammonium bromide (TBAB) for carbon dioxide capture employing the clathrate process}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {12}, year = {2014}, month = {MAR}, pages = {4878-4887}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrate based gas separation (HBGS) process for the precombustion capture of CO2 from a fuel gas mixture is a novel method being investigated among the carbon capture and sequestration techniques to reduce CO2 emissions. The efficiency of the HGBS process can be improved by using promoters that reduce the formation pressure of mixed gas hydrates. In this study the effect of tetra-n-butyl ammonium bromide (TBAB) was systematically investigated at a constant temperature of 279.2 K and pressure of 6.0 MPa for different TBAB concentrations of 0.3, 1.0, 1.5, 2.0, and 3.0 mol \%, respectively. The 0.3 mol \% solutions had a relatively longer average induction time of 20.1 min but exhibited the highest total normalized gas uptake of 0.0104 (+/- 0.0004) mol of gas/mol of water and highest separation factor of 41.51 (+/- 6.391). On the other hand, the 1.0 mol \% solution had very short average induction time (\<0.5 min) and it had the highest hydrate growth rate of 60.8 (+/- 9.89) mol of gas. min(-1).m(-3), with the separation factor of 13.78 (+/- 3.30). Gas solubility measurements and microscopic images of the hydrate formation were also presented to provide greater insights into the effect of TBAB concentration on the gas uptake.

}, issn = {0888-5885}, doi = {10.1021/ie4043714}, author = {Babu, Ponnivalavan and Chin, Weng Inn and Kumar, Rajnish and Linga, Praveen} } @article {45973, title = {Tailoring the product dstribution with batch and continuous process options in catalytic hydrogenation of furfural}, journal = {Organic Process Research \& Development}, volume = {18}, year = {2014}, month = {NOV}, pages = {1434-1442}, type = {Artical}, abstract = {

Various noble metal catalysts were screened in a batch operation for a furfural (FFR) single-step decarbonylation and hydrogenation reaction to obtain THF in high selectivity. Among these, the 3\% Pd/C showed complete FFR conversion with a total of 80\% selectivity to ring hydrogenated products including tetrahydrofuran (THF). The order of activity exhibited by other noble metals was Pt/C \> Re/C \> Ru/C. Although Pt/C exhibited the highest activity, its decarbonylation and ring hydrogenation ability were the least (24\%) with a major product selectivity of 66\% to furfuryl alcohol (FAL). Similarly, the Cu catalyst gave almost complete selectivity to FAL. In a continuous operation (23 g catalyst bed), the 3\% Pd/C catalyst showed higher selectivity of \>40\% compared to THF alone with complete FFR conversion and on-stream activity of similar to 100 h. The reaction pathway elucidated from some control experiments revealed that the decarbonylation of FFR to furan over the Pd/C catalyst is a prerequisite for THF formation.

}, issn = {1083-6160}, doi = {10.1021/op500196x}, author = {Biradar, Narayan S. and Hengne, Amol A. and Birajdar, Shobha N. and Swami, Rameshwar and Rode, Chandrashekhar V.} } @article {42438, title = {Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes}, journal = {Organic Letters}, volume = {16}, year = {2014}, month = {JUN}, pages = {3576{\textendash}3579}, abstract = {

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

}, doi = {10.1021/ol501579d}, author = {Bhojgude, Sachin Suresh and Thangaraj, Manikandan and Suresh, Eringathodi and Biju, Akkattu T.} } @article {46375, title = {Tandem catalysis by in-situ generated microporous COF-Pd nanoparticle hybrids}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C1034}, type = {Meeting Abstract}, keywords = {covalent organic frameworks, Pd nanoparticles, tandem catalysis}, issn = {2053-2733}, author = {Bhadra, Mohitosh and Banerjee, Rahul} } @article { ISI:000333776000055, title = {Thermodynamic and kinetic verification of tetra-n-butyl ammonium nitrate (TBANO(3)) as a promoter for the clathrate process applicable to precombustion carbon dioxide capture}, journal = {Environmental Science \& Technology}, volume = {48}, number = {6}, year = {2014}, month = {MAR}, pages = {3550-3558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, tetra-n-butyl ammonium nitrate (TBANO(3)) is evaluated as a promoter for precombustion capture of CO2 via hydrate formation. New hydrate phase equilibrium data for fuel gas (CO2/H-2) mixture in presence of TBANO(3) of various concentrations of 0.5, 1.0, 2.0, 3.0, and 3.7 mol \% was determined and presented. Heat of hydrate dissociation was calculated using Clausius-Clapeyron equation and as the concentration of TBANO(3) increases, the heat of hydrate dissociation also increases. Kinetic performance of TBANO(3) as a promoter at different concentrations was evaluated at 6.0 MPa and 274.2 K. Based on induction time, gas uptake, separation factor, hydrate phase CO2 composition, and rate of hydrate growth, 1.0 mol \% TBANO(3) solution was found to be the optimum concentration at the experimental conditions of 6.0 MPa and 274.2 K for gas hydrate formation. A 93.0 mol \% CO2 rich stream can be produced with a gas uptake of 0.0132 mol of gas/mol of water after one stage of hydrate formation in the presence of 1.0 mol \% TBANO(3) solution. Solubility measurements and microscopic images of kinetic measurements provide further insights to understand the reason for 1.0 mol \% TBANO(3) to be the optimum concentration.

}, issn = {0013-936X}, doi = {10.1021/es4044819}, author = {Babu, Ponnivalavan and Yao, Minghuang and Datta, Stuti and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000345975300012, title = {Titania nanoparticles stabilized HPA in SBA-15 for the intermolecular hydroamination of activated olefins}, journal = {ChemCatChem}, volume = {6}, number = {12}, year = {2014}, month = {DEC}, pages = {3347-3354}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A liquid phase hydroamination (HA) of alpha,beta-ethylenic compounds with amines was investigated with TiO2 nanoparticles stabilized 12-tungstophosphoric acid (TPA) in SBA-15. The catalysts were prepared by wet impregnation of TPA/TiO2 nanoparticles into the SBA-15 and calcined at different temperatures. The characterization results reveal that the textural properties and the acidity of the prepared catalysts can be finely controlled with the simple adjustment of the calcination temperature and the structure of the support, decorated with the TiO2 and TPA nanoparticles, was intact even after the modification. The prepared catalysts were investigated for HA of ethyl acrylate with different aromatic and aliphatic amines over a wide range of reaction conditions to optimize the yield and the selectivity of product. It was found that this process is 100\% atom efficient and the catalytic performance depended significantly on the loading of TPA over the catalyst and the calcination temperature. Under optimized reaction conditions, the best catalyst, 15 wt\% TPA/22.4 wt\% TiO2/SBA-15 calcined at 1123 K, offered the highest conversion of p-ethylaniline (70\%) with 100\% chemo-selectivity to the anti-Markovnikov product, i.e., the mono-addition product. The reaction was heterogeneously catalyzed and no contribution from leached TPA into the reaction was observed.

}, keywords = {heteropoly acids, hydroamination, mesoporous materials, nanocatalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201402449}, author = {Sawant-Dhuri, Dhanashri and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Park, Dae-Hwan and Choy, Jin-Ho and Cha, Wang Soo and Al-deyab, Salem S. and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000336158700036, title = {Triple nanocomposites of CoMn2O4, Co3O4 and reduced graphene oxide for oxidation of aromatic alcohols}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {6}, year = {2014}, month = {MAY}, pages = {1771-1778}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A composite of reduced graphene oxide (RGO) with oxides of manganese and cobalt together was prepared by a solvothermal method. During synthesis, both the reduction of graphene oxide as well as the growth of nanorod shaped CoMn2O4 and Co3O4 occurred simultaneously having a crystallite size of similar to 8 nm calculated from X-ray diffraction (XRD). The as-obtained triple nanocomposite material designated as RGO-MnCoO exhibited excellent activity for the liquid phase aerobic oxidation of aromatic alcohols under base-free conditions selectively giving the corresponding aldehydes (\>85\%). RGO loading was varied in the range of 1-10\%, among which 1\% RGO-MnCoO showed maximum catalytic activity enhancement of 24\% as compared to the bare mixed oxide (MnCo-MO) for the oxidation of vanillyl alcohol. HR-TEM of RGO-MnCoO revealed that it was a composite material having uniform nanotubes of similar to 25 nm length and 6 nm diameter with a fringe pattern showing the (103) and (004) planes and lattice spaces of 0.26 nm and 0.22 nm, respectively, for the spinel CoMn2O4. The detailed studies on the morphology, size and composition of the as-prepared RGO-MnCoO nanocomposite by XRD, XPS, N-2-adsorption/desorption and O-2-TPD techniques were used to understand the role of RGO in the enhancement of catalytic activity for oxidation reaction.

}, issn = {2044-4753}, doi = {10.1039/c3cy01025b}, author = {Jha, Ajay and Mhamane, Dattakumar and Suryawanshi, Anil and Joshi, Sameer M. and Shaikh, Parvez and Biradar, Narayan S. and Ogale, Satishchandra and Rode, Chandrashekhar V.} } @article {42675, title = {Ultrathin sheets of metal or metal sulfide from molecularly thin sheets of metal thiolates in solution}, journal = {Chemistry of Materials}, volume = {26}, year = {2014}, month = {MAY}, pages = {3436-3442}, abstract = {

Materials that exist as single molecule thick twodimensional sheets are in great demand because they hold promise as precursors for synthesis of layered functional materials. We demonstrate that metal thiolates, that exist as lamellar assemblies in the neat state, can be disassembled into individual molecular sheets simply by dilution in apolar organic solvents and that these can form ultrathin metallic layers on substrates upon heat treatment. We establish the pathway to the disassembly of metal thiolates in solution using a combination of techniques, including X-ray diffraction, light scattering, FTIR, and TEM. Our results indicate that the lamellar structure of Pd-thiolates is preserved in toluene up to a concentration of 300\% w/v and the average intersheet distance is unchanged. Interestingly, the dynamics of the Pd-thiolate sheets remain correlated even on diluting them up to 30\% w/v, though the disorder within the lamellar stacks increases with a decrease in their coherence length. Finally, at dilutions less than about 5\% w/v, individual sheets of these structures can be accessed that are isolated and directly observed using TEM. Heat treatment of the ultrathin films of metal thiolates deposited on appropriate substrates resulted in the formation of metal or metal sulfides with retention of sheetlike morphologies.

}, doi = {10.1021/cm5006949}, author = {Busupalli, Balanagulu and Kummara, Sreenivas and Kumaraswamy, Guruswamy and Bhagavatula L. V. Prasad} } @article { ISI:000329960500033, title = {Unexpected observations during the total synthesis of calothrixin B-sodium methoxide as a source of hydride}, journal = {Tetrahedron Letters}, volume = {55}, number = {1}, year = {2014}, month = {JAN}, pages = {155-162}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

During the total synthesis of calothrixin B, various novel and unexpected results were noticed such as cleavage of C-N bond in imine using sodium cyanoborohydride, sodium methoxide as a hydride source for reduction, deformylation in the presence of bromine, and deacylation using ceric ammonium nitrate (CAN). A detailed mechanism has been proposed for the unexpected results and a few of them are generalized. Temperature dependent NMR studies have been carried out for confirmation of the structure of one of the intermediates in the synthetic sequence. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Azoxybenzene, Calothrixin B, reduction, Sodium cyanoborohydride, Sodium methoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.10.140}, author = {Bhosale, Shrikar M. and Momin, Aadil A. and Kunjir, Shrikant and Rajamohanan, P. R. and Kusurkar, Radhika S.} } @article { ISI:000340931800032, title = {Unusual behavior of propane as a co-guest during hydrate formation in silica sand: potential application to seawater desalination and carbon dioxide capture}, journal = {Chemical Engineering Science}, volume = {117}, year = {2014}, month = {SEP}, pages = {342-351}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report an unusual behavior of hydrate formation in silica sand with gas mixtures containing propane as a co-guest. Based on morphology study we observed that propane as a co-guest has the ability to draw water dispersed in silica sand to the hydrate formation region and showed a tendency to result in drastic hydrate growth due to the migration of water molecules to the gas phase region. Hydrate nucleation occurred in the interstitial pore space between the silica sand particles and hydrate growth occurred in the gas phase above the silica sand bed and to sustain the hydrate growth, dispersed water was drawn towards the hydrate growth front. In addition, we elucidated the effect of sand bed height to maximize the growth rates utilizing this behavior that results in enhanced kinetics. We propose conceptual designs for utilizing this behavior of propane as a co-guest in sand for seawater desalination and an innovative approach to simultaneously capture carbon dioxide and desalinate seawater. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Desalination, Enhanced kinetics, Gas hydrates, Propane hydrate: pre-combusuon capture}, issn = {0009-2509}, doi = {10.1016/j.ces.2014.06.044}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000341552000004, title = {Unusual, selective, reductive, deoxygenation of cyclopentenone alcohols}, journal = {Tetrahedron Letters}, volume = {55}, number = {38}, year = {2014}, month = {SEP}, pages = {5241-5243}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A selective, reductive, deoxygenation of 2-aryl-4-hydroxycyclopent-2-en-1-ones to afford 2-aryl-cyclopent-2-en-1-ones was achieved by NaBH4-CeCl3 in methanol. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclopentenone alcohol, Enone, Luche reduction, Reductive deoxygenation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.07.122}, author = {Bavikar, Suhas R. and Lasonkar, Trupti P. and Chavan, Subhash P. and Borate, Hanumant B.} } @article { ISI:000334895800008, title = {Value addition to lignocellulosics and biomass-derived sugars: an insight into solid acid-based catalytic methods}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {373-385}, publisher = {Catalysis Soc India}, type = {Article, Proceedings Paper}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

For the synthesis of important platform chemicals such as sugars (xylose and arabinose) and furans (furfural and 5-hydroxymethylfurfural (HMF)) from carbohydrates (hemicellulose and fructose) solid acid catalysts are employed. Similarly, over solid acid catalysts, conversion of lignin into aromatic monomers is performed. It is observed that in the dehydration of fructose, because of higher hydrothermal stability, silicoaluminophosphate (SAPO) catalysts give better activity (78\% HMF yield) compared with other solid acid catalysts (\<63\% HMF yield) at 175 degrees C. Particularly, SAPO-44 catalyst can be reused at least 5 times with marginal decrease in the activity. Zeolite, BUSY (Si/Al = 15) is active in the conversion of isolated (pure) hemicellulose to produce 41\% C-5 sugars in water. The catalyst is also active in the selective conversion of hemicellulose from bagasse to yield 59\% C-5 sugars. It is possible to obtain high yields of furfural (54\%) directly from bagasse if instead of water, Water+toluene solvent system is used. Depolymerization of lignin using HUSY catalyst produced aromatic monomers with 60\% yield at 250 degrees C. A detailed catalyst characterization study is performed to understand the correlation between catalyst activity and morphology. To understand the effect of impurities present in the substrate over solid acid catalysts, metal-exchange study is carried out.

}, keywords = {aromatic monomers, Biomass, furans, Hemicellulose, lignin, solid acid catalyst}, issn = {0974-3626}, author = {Bhaumik, Prasenjit and Deepa, Ayillath K. and Kane, Tanushree and Dhepe, Paresh Laxmikant} } @article { ISI:000336738400017, title = {Variation of CO2 adsorption in isostructural Cd(II)/Co(II) based MOFs by anion modulation}, journal = {CrystEngComm}, volume = {16}, number = {23}, year = {2014}, month = {JUN}, pages = {5012-5020}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{A potential multidentate tris-pyridyl ligand has been synthesized, and later employed for the tailoring of four isostructural cadmium(II)/cobalt(II) two dimensional (2D) metal organic frameworks, [[ M(dmpt)(2)(X)(2)].xS](n), where S = solvent

}, issn = {1466-8033}, doi = {10.1039/c4ce00058g}, author = {Singh, Udai P. and Narang, Shikha and Pachfule, Pradip and Banerjee, Rahul} } @article {46366, title = {Water electrolysis with a conducting carbon cloth: subthreshold hydrogen generation and superthreshold carbon quantum dot formation}, journal = {ChemSusChem}, volume = {7}, year = {2014}, month = {MAR}, pages = {883-889}, type = {Article}, abstract = {

A conducting carbon cloth, which has an interesting turbostratic microstructure and functional groups that are distinctly different from other ordered forms of carbon, such as graphite, graphene, and carbon nanotubes, was synthesized by a simple one-step pyrolysis of cellulose fabric. This turbostratic disorder and surface chemical functionalities had interesting consequences for water splitting and hydrogen generation when such a cloth was used as an electrode in the alkaline electrolysis process. Importantly, this work also gives a new twist to carbon-assisted electrolysis. During electrolysis, the active sites in the carbon cloth allow slow oxidation of its surface to transform the surface groups from COH to COOH and so forth at a voltage as low as 0.2V in a two-electrode system, along with platinum as the cathode, instead of 1.23V (plus overpotential), which is required for platinum, steel, or even graphite anodes. The quantity of subthreshold hydrogen evolved was 24mLcm(-2)h(-1) at 1V. Interestingly, at a superthreshold potential (\>1.23V+overpotential), another remarkable phenomenon was found. At such voltages, along with the high rate and quantity of hydrogen evolution, rapid exfoliation of the tiny nanoscale (5-7nm) units of carbon quantum dots (CQDs) are found in copious amounts due to an enhanced oxidation rate. These CQDs show bright-blue fluorescence under UV light.

}, keywords = {Carbon, electrolysis, Hydrogen, photoluminescence, quantum dots}, issn = {1864-5631}, doi = {10.1002/cssc.201300827}, author = {Biswal, Mandakini and Deshpande, Aparna and Kelkar, Sarika and Ogale, Satishchandra} } @article { ISI:000340347700042, title = {ZIF-8@PBI-Bul composite membranes: elegant effects of PBI structural variations on gas permeation performance}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {32}, year = {2014}, month = {AUG}, pages = {12962-12967}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The composites of metal organic frameworks (MOFs) and polymers look promising as membrane materials for gas separation, provided benefits of both the components can be shown successfully. This work shows that the structural architecture of polybenzimidazole (PBI) is highly advantageous in offering attractive gas permeation properties of its composites with MOFs. PBI-Bul and its N-substituted (methyl and 4-tert-butylbenzyl) derivatives were blended with ZIF-8. In general, homogeneous blend formation of ZIF-8 was achieved with all three polymers, as supported by SEM. Wide angle X-ray diffraction, mechanical property analysis and density measurements of the composite membranes were performed in order to understand the effects of physical blending of MOFs and polymers. Gas permeability analysis of the composite membranes revealed that the properties of MOFs as well as those of polymers arising from their structural architecture are responsible for governing the permeability and selectivity of the resulting composites.

}, issn = {2050-7488}, doi = {10.1039/c4ta00611a}, author = {Bhaskar, Anand and Banerjee, Rahul and Kharul, Ulhas K.} } @article {46403, title = {ZnO(N)-Spiro-MeOTAD hybrid photodiode: an efficient self-powered fast-response UV (visible) photosensor}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {FEB}, pages = {503-513}, type = {Article}, abstract = {

Organic-inorganic hybrid photo-detectors with a self-sufficient mode of operation represent a research area of great current interest. In most efficient photodetectors and optoelectronic devices compound semiconductors containing toxic elements such as Cd, As, Te, S, Se etc. are used and these are also expensive. Hence there is also a rapidly growing interest in replacing these with environmentally friendly and earth-abundant materials. Herein, we report a facile solution-processed fabrication of a self-powered organic-inorganic hybrid photodetector using n-type oriented ZnO nanorods and p-type Spiro-MeOTAD semiconductor. ZnO is eco-friendly and earth-abundant, and Spiro-MeOTAD is nonhazardous. We show that the latter has far less toxicity than the toxic elements stated above. This visible blind UV photodetector shows high sensitivity (10(2)) and a UV/visible rejection ratio of 300. It also exhibits fast response times of tau(rise) similar to 200 mu s and tau(fall) similar to 950 mu s. Importantly, with a small modification of nitrogen incorporation in ZnO one can also realize a highly-sensitive self-powered visible light photodetector with at least 1000\% (or higher) improvements in quality factors (photocurrent/sensitivity/response time) as compared to previously reported organic-inorganic hybrid photo-detectors based on metal-chalcogenides (CdS-PANI or CuInSe2-P3HT). Interestingly, the broadband sensitivity of such N:ZnO-Spiro-MeOTAD photodiode enables sensing of low intensity (similar to 28 mu W cm(-2)) ambient white light with a high photocurrent density of 120 nA cm(-2) making it an efficient ambient white light detector.

}, issn = {2040-3364}, doi = {10.1039/c3nr04727j}, author = {Game, Onkar and Singh, Upendra and Kumari, Tanya and Banpurkar, Arun and Ogale, Satishchandra} } @article {42933, title = {Advances in molecular quantum chemistry contained in the Q-Chem 4 program package}, journal = {Molecular Physics}, volume = {113}, year = {2015}, month = {JAN}, pages = {184-215}, abstract = {

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Moller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr-2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

}, author = {Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T. B. and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W. and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree} } @article { ISI:000362948200004, title = {Ambient temperature photocopolymerization of tetrahydrofurfuryl methacrylate and isobornyl methacrylate: reactivity ratios and thermal studies}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {52}, number = {12}, year = {2015}, month = {DEC}, pages = {982-991}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Photocopolymerization of heterocyclic monomer namely, tetrahydrofurfuryl methacrylate with bulky bicyclic monomer, isobornyl methacrylate with different feed ratios was carried out in bulk with low concentration of an -hydroxyl ketone based photoinitiator. The ambient temperature photocopolymerization was carried out by using a UV-Visible lamp with fixed low intensity of 0.4mW cm(-2) for a period of 6min. The residual monomer remained in the polymerization process were determined by using gas chromatography. The reactivity ratio values for the two monomers were calculated from the copolymer composition data by using Fineman-Ross, Kelen-Tudos, Extended Kelen-Tudos and Mao-Huglin methods. Individually, as well as the average of all the methods revealed that the monomer reactivity ratios of tetrahydrofurfuryl methacrylate were higher than isobornyl methacrylate. The dyad sequence distribution and dyad sequence lengths were calculated using the Igarashi and Pyun method and the sequence length distribution for tetrahydrofurfuryl methacrylate was observed to be higher with an increase in its feed content. This supports the reactivity ratio studies that a higher monomer reactivity ratio value for tetrahydrofurfuryl methacrylate was observed as compared to its comonomer. The thermal studies showed that the glass transition temperatures of the copolymers increased with an increase in isobornyl methacrylate content.

}, keywords = {Copolymer, methacrylates, micro structure, photocopolymerization, reactivity ratios, thermal studies}, issn = {1060-1325}, doi = {10.1080/10601325.2015.1095600}, author = {Rajdeo, K. S. and Ponrathnam, S. and Pardeshi, S. and Chavan, Nayaku and Bhongale, Sunil Sitaram and Harikrishna, Reghunathan} } @article {42558, title = {Analysis of genetic variability in Aquilaria malaccensis from Bramhaputra valley, Assam, India using ISSR markers}, journal = {Flora}, volume = {217}, year = {2015}, month = {NOV}, pages = {24-32}, doi = {10.1016/j.flora.2015.09.007}, author = {Banu, Sofia and Baruah, Darshana and Bhagwat, Rasika M. and Sarkar, Purabi and Bhowmick, Ananya and Kadoo, Narendra Y.} } @article {43075, title = {Analytical and bioanalytical UHPLC-MS method validation for determination of metformin, a bigunaide and sitagliptin, a DPP-4 inhibitor}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {6}, year = {2015}, month = {MAY}, pages = {1000-1008}, doi = {10.13040/IJPSR.0975-8232.6(5).1907-14}, author = {Nakrani, Mital and Bairagee, Deepika and Goyal, Pradeep and Santhakumari, B.} } @article {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:000362611300009, title = {Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain}, journal = {Journal of Molecular Biology}, volume = {427}, number = {20}, year = {2015}, month = {OCT}, pages = {3300-3315}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Many essential biological processes are mediated by complex molecular machines comprising multiple subunits. Knowledge on the architecture of individual subunits and their positions within the overall multimeric complex is key to understanding the molecular mechanisms of macromolecular assemblies. The anaphase-promoting complex/cyclosome (APC/C) is a large multisubunit complex that regulates cell cycle progression by ubiquitinating cell cycle proteins for proteolysis by the proteasome. The holo-complex is composed of 15 different proteins that assemble to generate a complex of 20 subunits. Here, we describe the crystal structures of Apc4 and the N-terminal domain of Apc5 (Apc5(N)). Apc4 comprises a WD40 domain split by a long alpha-helical domain, whereas Apc5(N) has an alpha-helical fold. In a separate study, we had fitted these atomic models to a 3.6-angstrom-resolution cryo-electron microscopy map of the APC/C. We describe how, in the context of the APC/C, regions of Apc4 disordered in the crystal assume order through contacts to Apc5, whereas Apc5(N) shows small conformational changes relative to its crystal structure. We discuss the complementary approaches of high-resolution electron microscopy and protein crystallography to the structure determination of subunits of multimeric complexes. (c) 2015 MRC Laboratory of Molecular Biology. Published by Elsevier Ltd.

}, keywords = {anaphase-promoting complex, cell cycle, multisubunit structure, protein crystallography, ubiquitin}, issn = {0022-2836}, doi = {10.1016/j.jmb.2015.08.023}, author = {Cronin, Nora B. and Yang, Jing and Zhang, Ziguo and Kulkarni, Kiran and Chang, Leifu and Yamano, Hiroyuki and Barford, David} } @article { ISI:000348878600053, title = {Benzylation of acetic acid to benzyl acetate over highly active and reusable micro/meso-HZSM-5}, journal = {Chemical Engineering Research \& Design}, volume = {93}, year = {2015}, month = {JAN}, pages = {584-590}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Catalytic benzylation of acetic acid (AA) with benzyl alcohol (BA) to benzyl acetate was studied over zeolites viz. H-ZSM-5 (microporous, medium pore), Micro/Meso-HZSM-5 (combination of micro- and meso pore), H-Beta (microporous, large pore) to investigate catalytic activity and selectivity towards benzyl acetate. Micro/Meso-HZSM-5 obtained by desilication post-treatment has been employed as a heterogeneous catalyst for benzylation reaction probably for the first time. Micro/Meso-HZSM-5 was found to be a promising catalyst for benzylation with AA conversion of 94\%, selectivity towards benzyl acetate of 95\%. The detailed optimization of process parameters such as molar ratio, catalyst loading, reaction temperature and time was also presented. Micro/Meso-HZSM-5 catalyst was observed to be stable for six cycles (1 fresh and 5 recycles). The first order reaction kinetics (R-2 \>0.98) indicated that reaction rate constants increased with increasing reaction temperature. The activation energy for benzylation of AA with BA over Micro/Meso-HZSM-5 was obtained to be 15.07 kJ mol(-1), which is far less than the reported. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Acetic acid, Benzyl acetate, Benzyl alcohol, Benzylation, Micro/Meso-HZSM-5, Reaction kinetics}, issn = {0263-8762}, doi = {10.1016/j.cherd.2014.06.015}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Raut, Sunil A. and Bokade, Vijay V.} } @article { ISI:000353218700026, title = {Beta, gamma-Bis-substituted PNA with configurational and conformational switch: preferred binding to cDNA/RNA and cell-uptake studies}, journal = {Chemical Communications}, volume = {51}, number = {36}, year = {2015}, month = {MAR}, pages = {7693-7696}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

(S,S)- and (R,R)-beta,gamma-Bis-substituted PNAs were synthesized from the C-2 symmetric vicinal diamine system embedded in 1,4 dihydroxybutane and 1,4-dimethoxybutane scaffolds. (R,R)-beta,gamma-Bis-methoxymethyl-PNA derived from D-tartaric acid was found to be in the right configuration and conformation to be an excellent mimic of PNA, endowed with superior ability to enter into cells.

}, issn = {1359-7345}, doi = {10.1039/c5cc00891c}, author = {Bose, Tanaya and Banerjee, Anjan and Nahar, Smita and Maiti, Souvik and Kumar, Vaijayanti A.} } @article { ISI:000345975000014, title = {Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores}, journal = {Chemical Communications}, volume = {51}, number = {2}, year = {2015}, month = {NOV}, pages = {310-313}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the successful incorporation of bifunctional (acid/base) catalytic sites in the crystalline organocatalytic porous COF (2,3-DhaTph). Due to the presence of acidic (catachol) and basic (porphyrin) sites, 2,3-DhaTph shows significant selectivity, reusability, and excellent ability to perform the cascade reaction.

}, issn = {1359-7345}, doi = {10.1039/c4cc07104b}, author = {Shinde, Digambar Balaji and Kandambeth, Sharath and Pachfule, Pradip and Kumar, Raya Rahul and Banerjee, Rahul} } @article { ISI:000359173900007, title = {Biochemical, structural and functional diversity between two digestive alpha-amylases from helicoverpa armigera}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1850}, number = {9}, year = {2015}, month = {SEP}, pages = {1719-1728}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Helicoverpa armigera (Lepidoptera) feeds on various plants using diverse digestive enzymes as one of the survival tool-kit. The aim of the present study was to understand biochemical properties of recombinant alpha-amylases of H. armigera viz., HaAmy1 and HaAmy2. Methods: The open reading frames of HaAmy1 and HaAmy2 were cloned in Pichia pastoris and expressed heterologously. Purified recombinant enzymes were characterized for their biochemical and biophysical attributes using established methods. Results: Sequence alignment and homology modeling showed that HaAmy1 and HaAmy2 were conserved in their amino acid sequences and structures. HaAmy1 and HaAmy2 showed optimum activity at 60 degrees C; however, they differed in their optimum pH. Furthermore, HaAmy2 showed higher affinity for starch and amylopectin whereas HaAmy1 had higher catalytic efficiency. HaAmy1 and HaAmy2 were inhibited to the same magnitude by a synthetic amylase inhibitor (acarbose) while wheat amylase inhibitor showed about 2-fold higher inhibition of HaAmy1 than HaAmy2 at pH 7 while 6-fold difference at pH 11. Interactions of HaAmy1 and HaAmy2 with wheat amylase inhibitor revealed 2:1 stoichiometric ratio and much more complex interaction with HaAmy1. Conclusions: The diversity of amylases in perspective of their biochemical and biophysical properties, and their differential interactions with amylase inhibitors signify the potential role of these enzymes in adaptation of H. armigera on diverse plant diets. General significance: Characterization of digestive enzymes of H. armigera provides the molecular basis for the polyphagous nature and thus could assist in designing future strategies for the insect control. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {alpha-amylases, Amylase inhibitors, Digestive enzymes, Enzyme activity, Helicoverpa armigera}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2015.04.008}, author = {Bhide, Amey J. and Channale, Sonal M. and Patil, Sucheta S. and Gupta, Vidya S. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @article { ISI:000356735300012, title = {Bio-physical evaluation and in vivo delivery of plant proteinase inhibitor immobilized on silica nanospheres}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {130}, year = {2015}, month = {JUN}, pages = {84-92}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Recombinant expression of Capsicum annuum proteinase inhibitors (CanPI-13) and its application via synthetic carrier for the crop protection is the prime objective of our study. Herein, we explored proteinase inhibitor peptide immobilization on silica based nanospheres and rods followed by its pH mediated release in vitro and in vivo. Initial studies suggested silica nanospheres to be a suitable candidate for peptide immobilization. Furthermore, the interactions were characterized biophysically to ascertain their conformational stability and biological activity. Interestingly, bioactive peptide loading at acidic pH on nanospheres was found to be 62\% and showed 56\% of peptide release at pH 10, simulating gut milieu of the target pest Helicoverpa armigera. Additionally, in vivo study demonstrated significant reduction in insect body mass (158 mg) as compared to the control insects (265 mg) on 8th day after feeding with CanPI-13 based silica nanospheres. The study confirms that peptide immobilized silica nanosphere is capable of affecting overall growth and development of the feeding insects, which is known to hamper fecundity and fertility of the insects. Our study illustrates the utility and development of peptide-nanocarrier based platform in delivering diverse biologically active complexes specific to gut pH of H. armigera. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Biodelivery, Helicovera armigera, Protein {\textquoteleft}corona{\textquoteright}, Proteinase inhibitor, Silica nanospheres}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2015.03.060}, author = {Khandelwal, Neha and Doke, Dhananjay S. and Khandare, Jayant J. and Jawale, Priyanka V. and Biradar, Ankush V. and Giri, Ashok P.} } @article { ISI:000354208900004, title = {Calcium phosphate nanocapsule crowned multiwalled carbon nanotubes for pH triggered intracellular anticancer drug release}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {19}, year = {2015}, month = {APR}, pages = {3931-3939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report calcium phosphate (CaP) nanocapsule crowned multi-walled carbon nanotubes (CNT-GSH-G4-CaP) as a novel platform for intracellular delivery of an anticancer drug. As a proof-of-concept, CNT-GSH-G4-CaP demonstrates release of anticancer drug doxorubicin hydrochloride (DOX) within intracellular lysosomes from the interior cavity of CNT upon pH triggered CaP dissolution. Importantly, we found that the CNT with a CaP nanolid can efficiently prevent untimely drug release at physiological pH but promotes DOX release at increased acidic milieu as observed in subcellular compartments such as lysosomes (similar to 5.0). This {\textquoteleft}{\textquoteleft}zero premature release{\textquoteright}{\textquoteright} characteristic is of clinical significance in delivering cytotoxic drugs, by reducing systemic toxicity and thus beneficial for the effective anticancer treatment. We envision that this pH triggered CaP crowned CNT nanosystem would lead to a new generation of self-regulated platforms for intracellular delivery of a variety of anticancer drugs.

}, issn = {2050-750X}, doi = {10.1039/c5tb00534e}, author = {Banerjee, Shashwat S. and Todkar, Kiran J. and Khutale, Ganesh V. and Chate, Govind P. and Biradar, Ankush V. and Gawande, Manoj B. and Zboril, Radek and Khandare, Jayant J.} } @article { ISI:000365401700034, title = {Can silicon substituted metal-free organic dyes achieve better efficiency compared to silicon free organic dyes? a computational study}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {46}, year = {2015}, month = {OCT}, pages = {31093-31100}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The power conversion efficiency of metal-free organic dyes in dye-sensitized solar cells (DSSCs) is now comparable to ruthenium-based polypyridyl and zinc-based porphyrin dyes. We have computationally investigated the structural, electronic and optical properties of a series of metal free organic dyes and their corresponding silicon substituted dyes. The DFT and TD-DFT calculations revealed that silicon substituted organic dyes have higher efficiency than the corresponding silicon free organic dyes. The computational results showed that the presence of silole units as a spacer group can significantly affect the performance of DSSCs compared to typically using thiophene as a spacer unit. These results corroborate the experimental observations reported in the literature. The time-dependent density functional theory (TDDFT) calculations performed at the CPCM-CAM-B3LYP/6-31+G* level of theory showed better agreement with the experimental absorption spectra of some reported metal free organic dyes having silole in the spacer group compared to other functionals and are employed in this study. Indoline donor based dye 5 showed a much shorter absorption spectrum (absorption peak at 425 nm) and smaller electron injection driving force (Delta G(injection) = -1.77 eV) than the corresponding dye 8 containing silicon substituted indoline as a donor and a silole group as a spacer unit. lambda(max) = 502 nm and Delta G(injection) = -1.82 eV calculated for dye 8 are much larger than the corresponding silicon free dye 5. The silicon based dye 8 helps in achieving a much lower DGregeneration value than 5, which can facilitate the faster electron injection rate from the dye to the semiconductor TiO2. Dye 8 should also have a higher V-oc value compared to other dyes (5-7) due to favourable interaction with the electrolyte (I-/I-3(-)). The higher planarity and better conjugation in dye 8 facilitate the transfer of electrons from the dye molecules to the semiconductor TiO2. The calculations performed with phenyl protecting groups near the silicon center of the dye molecule 8 to diminish the dimerization process showed very similar optical properties as obtained with the corresponding unprotected dye system. The designed julolidine and pyrrolo-indolizine donor based dyes also showed a similar trend as observed for indoline donor based dyes.

}, issn = {1463-9076}, doi = {10.1039/c5cp05144d}, author = {Biswas, Abul Kalam and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000355645000021, title = {Carbon dioxide sequestration: influence of porous media on hydrate formation kinetics}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {3}, number = {6}, year = {2015}, month = {JUN}, pages = {1205-1214}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present study, CO, sequestration by hydrate formation in porous sediments has been discussed. Two siliceous materials with high porosities, pumice and fire hardened red clay (FHRC), have been used as packing materials in a fixed bed setup to study hydrate formation kinetics. The results obtained using the aforementioned materials were compared with those obtained using silica sand and quartz. Carbon dioxide hydrate formation kinetics was studied at 3.0 MPa pressure and 274 K temperature. Two different types of experiments were conducted: (a) using a constant volume of water and (b) maintaining a constant bed height. These experiments were conducted using the different porous media individually as packing materials. It was observed that pumice as the porous medium showed better hydrate formation kinetics resulting in 46 mol \% water to hydrate conversion in 5 h. Moreover, kinetics was enhanced with decrease in the bed height of pumice; this suggests that at field scale adaptation of CO, sequestration in geological formations, mass transfer limitations would be significant. The effects of particle size on hydrate formation kinetics were also investigated. It was observed that hydrate formation kinetics was enhanced with decrease in the particle size fraction.

}, keywords = {Bed height, Gas hydrate, gas uptake, Geological sequestration, Particle size}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b00171}, author = {Bhattacharjee, Gaurav and Kumar, Asheesh and Sakpal, Tushar and Kumar, Rajnish} } @article { ISI:000364355500053, title = {Carbon nanohorn-derived graphene nanotubes as a platinum-free fuel cell cathode}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {43}, year = {2015}, month = {NOV}, pages = {24256-24264}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Current low-temperature fuel cell research mainly focuses on the development of efficient nonprecious electrocatalysts for the reduction of dioxygen molecule due to the reasons like exorbitant cost and scarcity of the current state-of-the-art Pt-based catalysts. As a potential alternative to such costly electrocatalysts, we report here the preparation of an efficient graphene nanotube based oxygen reduction electrocatalyst which has been derived from single walled nanohorns, comprising a thin layer of graphene nanotubes and encapsulated iron oxide nanopartides (FeGNT). FeGNT shows a surface area of 750 m(2)/g, which is the highest ever reported among the metal encapsulated nanotubes. Moreover, the graphene protected iron oxide nanoparticles assist the system to attain efficient distribution of Fe-N-x and quaternary nitrogen based active reaction centers, which provides better activity and stability toward the oxygen reduction reaction (ORR) in acidic as well as alkaline conditions. Single cell performance of a proton exchange membrane fuel cell by using FeGNT as the cathode catalyst delivered a maximum power density of 200 mW cm(-2) with Nafion as the proton exchange membrane at 60 degrees C. The facile synthesis strategy with iron oxide encapsulated graphitic carbon morphology opens up a new horizon of hope toward developing Pt-free fuel cells and metal-air batteries along with its applicability in other energy conversion and storage devices.

}, keywords = {carbon nanohorns, carbon nanotube, electrocatalyst, fuel cell, oxygen reduction reaction}, issn = {1944-8244}, doi = {10.1021/acsami.5b07802}, author = {Unni, SreeKuttan M. and Illathvalappil, Rajith and Bhange, Siddheshwar N. and Puthenpediakkal, Hasna and Kurungot, Sreekumar} } @article { ISI:000348510400004, title = {Catalyst-dependent selectivity in the relay catalytic branching cascade}, journal = {Chemistry-A European Journal}, volume = {21}, number = {6}, year = {2015}, month = {FEB}, pages = {2319-2323}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of small organic molecules as probes for discovering new therapeutic agents has been an important aspect of chemical biology. One of the best ways to access collections of small molecules is to use various techniques in diversity-oriented synthesis (DOS). Recently, a new form of DOS, namely relay catalytic branching cascades (RCBCs), has been introduced, wherein a common type of starting material reacts with several scaffold-building agents (SBAs) to obtain structurally diverse molecular scaffolds under the influence of catalysts. Herein, the RCBC reaction of a common type of substrate with SBAs is reported to give two different types of molecular scaffolds and their formation is essentially dependent on the type of catalyst used.

}, keywords = {alkynols, cascade synthesis, chemoselectivity, diversity-oriented synthesis, Homogeneous catalysis}, issn = {0947-6539}, doi = {10.1002/chem.201405736}, author = {Bansode, Avinash H. and Shaikh, Aslam C. and Kavthe, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Patil, Nitin T.} } @article { ISI:000356739400008, title = {Catalytic conversion of furfural to industrial chemicals over supported Pt and Pd catalysts}, journal = {Journal of Catalysis}, volume = {327}, year = {2015}, month = {JUL}, pages = {65-77}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Several industrial chemicals were prepared by hydrogenation of furfural over gamma-Al2O3-supported Pt and Pd catalysts. These catalysts were active even at room temperature (25 degrees C). While the Pt catalysts were selective for C=O hydrogenation (yielding furfuryl alcohol), Pd facilitated ring hydrogenation (producing tetrahydrofurfuryl alcohol). At high temperature (240 degrees C), the Pd catalyst exhibited excellent decarbonylation activity forming furan with 85\% yield. The catalyst was reusable even in the absence of external hydrogen. The presence of hydrogen led to ring-opened products. Furan was quantitatively converted at 25 degrees C to tetrahydrofuran. Acidity of the support made a marked influence on the activity and selectivity. Pt on SO4-ZrO2 favored hydrogenolysis yielding 2-methyl furan along with furan with \>75 wt\% selectivity. Particle size, metal dispersion, and solvent influenced catalytic activity. Differences in structure and mode of furfural adsorption were also the causes for variations in selectivity of these supported Pt and Pd catalysts. (C) 2015 Elsevier Inc. All rights reserved.

}, keywords = {Biomass to fuels and chemicals, Decarbonylation, furfural, Hydrogenation, Hydrogenolysis, Supported Pt and Pd catalysts}, issn = {0021-9517}, doi = {10.1016/j.jcat.2015.04.018}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article { ISI:000356755500019, title = {Catalytic upgrading of citric acid to environmental friendly tri-butyl citrate plasticizer over ultra stable phosphonated Y zeolite}, journal = {Chemical Engineering Research \& Design}, volume = {98}, year = {2015}, month = {JUN}, pages = {212-219}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

The catalytic synthesis of non-toxic/eco-friendly tributyl citrate (TBC) plasticizer by esterification of renewable citric acid (CA) with butanol would be completely sustainable route. In this context, catalytic performance of parent ultra stable Y (USY) and phosphonated USY catalysts were investigated for TBC synthesis. Parent USY and phosphonated USY catalysts were characterized by powder X-ray diffraction (XRD), N-2 adsorption-desorption, NH3 temperature programmed desorption (TPD), pyridine-Fourier Transform Infrared Spectroscopy (FTIR), FTIR, SEM, ICP. The influence of various process parameters such as phosphorous (P) loading (0 to 4 wt/\%), catalyst loading (5-25\%), molar ratio of CA to n-butanol (1:4 to 1:12), reaction temperature (383-423 K) and reaction time (1-5 h) have been investigated over USY catalyst with aim to maximize CA conversion and TBC yield. Amongst the studied catalysts, the 2\% (w/w) P/USY was found to be highly potential catalyst with complete CA conversion (100\%) and 93\% TBC yield. The present method of using 2\% (w/w) P/USY catalyst for the synthesis of TBC would be environmentally benign in the context of bio-renewable synthetic route, high catalytic activity, non-toxic product, long term stability and reusability of catalyst (five catalytic cycles). (c) 2015 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved,

}, keywords = {Butanol, Citric acid, heterogeneous catalysis, Plasticizer, Tributyl citrate}, issn = {0263-8762}, doi = {10.1016/j.cherd.2015.04.037}, author = {Nandiwale, Kakasaheb Y. and Gogoi, Pranjal and Bokade, Vijay V.} } @article { ISI:000359596600058, title = {Charge-switchable gold nanoparticles for enhanced enzymatic thermostability}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {33}, year = {2015}, month = {JUL}, pages = {21517-21524}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This study illustrates a facile strategy for efficient immobilization of enzymes on a metal nanoparticle surface. The strategy proposed here enables the enzymatic activity to be retained while increasing the enzyme thermostability. It is demonstrated that the use of a zwitterionic amino acid tyrosine as a reducing and capping agent to synthesise gold nanoparticles allows efficient immobilization of phytase enzyme through charge-switchable electrostatic interactions. The detailed kinetic and thermodynamic studies reveal that the proposed enzyme immobilization strategy improves the overall quality of phytase by reducing the activation energy required for substrate hydrolysis and broadening the temperature window in which immobilized enzyme is able to operate. The outcomes of this study indicate that the underlying zwitterionic nature of 20 natural amino acids along with significant variability in their isoelectric points and hydropathy indices as well the ability of some of the amino acids to reduce metal ions is likely to offer significant opportunities for tailoring nano-bio interfaces in a rational manner for a range of biological applications.

}, issn = {1463-9076}, doi = {10.1039/c5cp03021h}, author = {Shankar, Shiv and Soni, Sarvesh K. and Daima, Hemant K. and Selvakannan, P. R. and Khire, Jayant Malhar and Bhargava, Suresh Kumar and Bansal, Vipul} } @article { ISI:000356176200034, title = {Chemical sensing in two dimensional porous covalent organic nanosheets}, journal = {Chemical Science}, volume = {6}, number = {7}, 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 = {

Two new imide-based crystalline, porous, and chemically stable covalent organic frameworks (COFs) (TpBDH and TfpBDH) have been successfully synthesized employing solvothermal crystallization route. Furthermore, thin layered covalent organic nanosheets (CONs) were derived from these bulk COFs by the simple liquid phase exfoliation method. These 2D CONs showcase increased luminescence intensity compared to their bulk counterparts (COFs). Notably, TfpBDH-CONs showcase good selectivity and prominent, direct visual detection towards different nitroaromatic analytes over TpBDH-CONs. Quite interestingly, TfpBDH-CONs exhibit a superior {\textquoteleft}{\textquoteleft}turn-on{\textquoteright}{\textquoteright} detection capability for 2,4,6-trinitrophenol (TNP) in the solid state, but conversely, they also show a {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} detection in the dispersion state. These findings describe a new approach towards developing an efficient, promising fluorescence chemosensor material for both visual and spectroscopic detection of nitroaromatic compounds with very low [10(-5) (M)] analyte concentrations.

}, issn = {2041-6520}, doi = {10.1039/c5sc00512d}, author = {Das, Gobinda and Biswal, Bishnu P. and Kandambeth, Sharath and Venkatesh, V. and Kaur, Gagandeep and Addicoat, Matthew A. and Heine, Thomas and Verma, Sandeep and Banerjee, Rahul} } @article { ISI:000351971600028, title = {Chemically reduced organic small-molecule-based lithium battery with improved efficiency}, journal = {Chemistry of Materials}, volume = {27}, number = {6}, year = {2015}, month = {MAR}, pages = {2121-2126}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Organic lithium batteries are attractive because of the possibility of fabricating lightweight and flexible devices. However, the organic lithium batteries have a few drawbacks. The specific capacity is usually lower than the theoretical capacity, which further decreases upon cycling. Often, the specific capacity is very low compared to theoretical capacity while discharging the battery at moderate and high C rates. To circumvent this issue, we chemically reduced carboxylic acid functionality substituted perylene diimide (benzoic-PDI) with hydrazine. Indeed, we found that the rate of redox reaction as well as the conductivity of the benzoic-PDI increased upon chemical reduction. The battery comprising reduced benzoic-PDI exhibits 100\% Coulombic efficiency and specific capacity while discharging at 20C. The battery also exhibits very high specific energy (213 Wh/kg) and specific power (8548 W/kg). The control experiments confirm our hypothesis of using chemical reduction to improve the performance of organic lithium battery.

}, issn = {0897-4756}, doi = {10.1021/cm5046786}, author = {Bhosale, Manik E. and Krishnamoorthy, Kothandam} } @article { ISI:000365307400018, title = {Chemoenzymatic collective synthesis of optically active hydroxyl(methyl)tetrahydronaphthalene-based bioactive terpenoids}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {46}, year = {2015}, month = {SEP}, pages = {11331-11340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Starting from succinic anhydride and 2-methylanisole, a chemoenzymatic collective formal/total synthesis of several optically active tetrahydronaphthalene based bioactive natural products has been presented via advanced level common precursors; the natural product and antipode (-)/(+)-aristelegone B. Regioselective benzylic oxidations, stereoselective introduction of hydroxyl groups at the alpha-position of ketone moiety in syn-orientation, efficient enzymatic resolutions with high enantiomeric purity, stereoselective reductions, samarium iodide induced deoxygenations and tandem acylation-Wittig reactions without racemization and/or eliminative aromatization were the key features. An attempted diastereo-selective synthesis of (+/-)-vallapin has also been described.

}, issn = {1477-0520}, doi = {10.1039/c5ob01740h}, author = {Batwal, Ramesh U. and N. P. Argade} } @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 {42634, title = {Chiral pool approach for the synthesis of functionalized amino acids: synthesis of antiepileptic drug (R)-lacosamide}, journal = {Tetrahedron Letters}, volume = {56}, year = {2015}, month = {AUG}, pages = {5802{\textendash}5803}, abstract = {

An efficient total synthesis of (R)-lacosamide 1 has been achieved from N-Boc-N,O-isopropylidene-l-serinol 2 which could easily be obtained from natural l-serine. Our synthesis of 1 starting from 2 using chiral pool strategy resulted in 54\% overall yield.

}, doi = {10.1016/j.tetlet.2015.08.077}, author = {Aratikatla, Eswar K. and Bhattacharya, Asish K.} } @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 {42632, title = {Clerodane type diterpene as a novel antifungal agent from polyalthia longifolia var. pendula}, journal = {European Journal of Medicinal Chemistry}, volume = {94}, year = {2015}, month = {FEB}, pages = {1{\textendash}7}, abstract = {

Bioactivity-guided chemical examination of methanolic extract of leaves of Polyalthia longifolia var. pendula led to the isolation of the active constituent, a diterpene 1 which was identified as 16α-hydroxycleroda-3,13(14)Z-dien-15,16-olide on the basis of its spectral data. Among the tested strains, diterpene 1 was found to exhibit antifungal activities having MIC90 values of 50.3, 100.6 and 201.2 μM against Candida albicans NCIM3557, Cryptococcus neoformans NCIM3542 (human pathogens) and Neurospora crassa NCIM870 (saprophyte), respectively. Initial, structure{\textendash}activity-relationship (SAR) data generated by synthesizing some derivatives revealed that the double bond between C3{\textendash}C4 and the free hydroxyl group at C16 are crucial for the antifungal activity of the diterpene 1. The mode of action of 1 in C. albicans is due to compromised cell membrane permeability and also probably due to disruption of cell wall structures. The red blood cell haemolysis of all the compounds (1{\textendash}4) did not show any significant haemolysis and was found to be less than 15\% for all the compounds when tested at highest concentration, i.e. 1200 μM. Interestingly, all the tested compounds inhibited Y{\textendash}H transition in dimorphic C. albicans NCIM3557 at much lower concentration than their MIC90 values. Determination of ROS generation by diterpene 1 using DCFH-DA and DHR123 (dihydrorhodamine) staining of C. albicans NCIM3557 indicated production of intracellular ROS as a mechanism of antifungal activity.

}, keywords = {Diterpene; Polyalthia longifolia; Isolation; Flash chromatography; Natural products; Antifungal activity}, doi = {10.1016/j.ejmech.2015.02.054}, author = {Bhattacharya, Asish K. and Chand, Hemender R. and John, Jyothis and Deshpande, Mukund V.} } @article { ISI:000352745300007, title = {Cloning, expression and in silico studies of a serine protease from a marine actinomycete (Nocardiopsis sp NCIM 5124)}, journal = {Process Biochemistry}, volume = {50}, number = {3}, year = {2015}, month = {MAR}, pages = {378-387}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A serine protease (N. protease), from Nocardiopsis sp., was cloned and expressed in Escherichia coli and investigated for its potential kinetic stability. Protein expression using two vectors, pET-22b (+) and pET-39b (+) was compared based on proper folding and soluble expression of the protein. pET-39b (+) was found to be a better vector for soluble expression of this protease containing disulfide bonds. In silico studies were also carried out for N. protease. Homology modeling suggested N. protease to be a member of PA clan of proteases. The phylogenetic analysis showed relatedness of N. protease to kinetically stable proteases. Molecular docking studies performed exhibited interaction of a peptide substrate with catalytic pocket of the enzyme. High temperature MD simulations were performed on N. protease to study its unfolding behavior and comparisons were made with alpha LP. A novel approach to study {\textquoteleft}cooperativity{\textquoteright} of protein unfolding was undertaken, wherein {\textquoteleft}P{\textquoteright} value analysis based on phi and psi values of the protein was performed. Data showed sharper P value transition for alpha LP when compared to N. protease thus indicating relatively less kinetic stability of N. protease. Present study holds significance as the non-streptomycete actinomycetes group is least explored and ensures industrially important enzymes with exceptional stabilities. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Actinomycetes, Cloning and expression, Kinetic stability, Protease, Thermal simulation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2014.12.025}, author = {Rohamare, Sonali and Gaikwad, Sushama M. and Jones, Dafydd and Bhavnani, Varsha and Pal, Jayanta and Sharma, Ranu and Chatterjee, Prathit} } @article { ISI: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 {45883, title = {Colossal increase in negative magnetization, exchange bias and coercivity in samarium chromite due to a strong coupling between Sm3+-Cr3+ spins sublattices}, journal = {Journal of Physics D-Applied Physics}, volume = {48}, year = {2015}, month = {JAN }, pages = {025004}, type = {Article}, abstract = {

We report giant temperature dependent negative magnetization (magnetization reversal) along with a large exchange bias and large coercivity in SmCrO3. The static magnetization measurements show the negative magnetization below similar to 192 K, due to competition between the external field, thermal activation energy and antiparallel Sm3+-Cr3+ spin interaction. At further lower temperatures, Sm3+ spins show an increased alignment due to the internal induced field of Cr3+ spins with minimum magnetization similar to - 0.037 emu g(-1). The temperature dependent exchange bias shows non-monotonic behavior. At 35 K, the exchange bias ceases to exist due to the orientation of Sm3+ moments with respect to canted Cr3+ moments. The crossover temperature decreases from similar to 191 K at 100 Oe to similar to 153 K at 250 Oe. The training effect further confirms the exchange bias in SmCrO3. The dynamic magnetization measurements exhibit anomalies around spin reorientation transition (T-SR similar to 34 K) and Neel transition (T-N similar to 192 K) which is consistent with static measurement and no frequency dependence was observed. The room temperature Raman spectra of SmCrO3 show peaks at similar to 364, similar to 375 and similar to 456 cm(-1) suggesting O-Cr-O bending modes within the octahedral.

}, keywords = {exchange bias, multiferroics etc, negative magnetization, samarium chromite, spin reorientation}, issn = {0022-3727}, doi = {10.1088/0022-3727/48/2/025004}, author = {Gupta, Preeti and Bhargava, Richa and Poddar, Pankaj} } @article { ISI:000357498200004, title = {Combined experimental and theoretical study of the structural, electronic and vibrational properties of bulk and few-layer Td-WTe2}, journal = {Journal of Physics-Condensed Matter}, volume = {27}, number = {28}, year = {2015}, month = {JUL}, pages = {285401}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

The recent discovery of non-saturating giant positive magnetoresistance has aroused much interest in Td-WTe2. We have investigated structural, electronic and vibrational properties of bulk and few-layer Td-WTe2 experimentally and theoretically. Spin-orbit coupling is found to govern the semi-metallic character of Td-WTe2 and its structural link with the metallic 1 T form provides an understanding of its structural stability. There is a metal-to-insulator switch-over in the electrical conductivity and a change in the sign of the Seebeck coefficient around 373 K. Lattice vibrations of Td-WTe2 have been analyzed using first-principles calculations. Out of the 33 possible zone-center Raman active modes, five distinct Raman bands are observed around 112, 118, 134, 165 and 212 cm(-1) in bulk Td-WTe2. Based on symmetry analysis and calculated Raman tensors, we assign the intense bands at 165 cm(-1) and 212 cm(-1) to the A(1){\textquoteright} and A(1){\textquoteright}{\textquoteright} modes, respectively. Most of the Raman bands stiffen with decreasing thickness, and the ratio of the integrated intensities of the A(1){\textquoteright}{\textquoteright} to A(1){\textquoteright} bands decreases in the few-layer sample, while all the bands soften in both the bulk and few-layer samples with increasing temperature.

}, keywords = {Raman spectroscopy, Td-structure, tungsten ditelluride}, issn = {0953-8984}, doi = {10.1088/0953-8984/27/28/285401}, author = {Jana, Manoj K. and Singh, Anjali and Late, Dattatray J. and Rajamathi, Catherine R. and Biswas, Kanishka and Felser, Claudia and Waghmare, Umesh V. and Rao, C. N. R.} } @article { ISI:000348245000002, title = {Comprehensive study on the effect of acid additives in 1(R),2(R)-Bis[(S)-prolinamido]cyclohexane catalyzed direct asymmetric aldol reactions in aqueous media}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {1}, year = {2015}, month = {JAN}, pages = {84-92}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

The catalytic efficacy of (1R,2R)-bis[(S)-prolinamido]cyclohexane 1, prepared from the readily available natural amino acid L-proline has been studied for the direct asymmetric aldol reaction of cyclohexanone with substituted benzaldehydes at room temperature in presence of various acid additives. A wide variety of acids e.g. aliphatic fatty acid, chiral acid, sulphonic acid, aromatic acid, etc. have been used as additive for the aldol reaction in aqueous media. A loading of 10 mol\% of catalyst 1 is employed in this reaction, and good yields (up to 98\% yield), diastereoselectivity (up to 96\% de) and enantioselectivities (up to 87\% ee) can be achieved in aqueous media within very short reaction time (1-4 hours).

}, keywords = {acid additives, aqueous media, Asymmetric synthesis, direct aldol reaction, organocatalysis}, issn = {0376-4699}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @article { ISI:000361085800009, title = {Construction of polynuclear lanthanide (Ln = Dy-III, Tb-III, and Nd-III) cage complexes using pyridine-pyrazole-based ligands: versatile molecular topologies and smm behavior}, journal = {Inorganic Chemistry}, volume = {54}, number = {17}, year = {2015}, month = {SEP}, pages = {8197-8206}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Employment of two different pyridyl pyrazolyl-based ligands afforded three octanudear lanthanide(III) (Ln = Dy, Tb) cage compounds and one hexanudear neodymium(III) coordination cage, exhibiting versatile molecular architectures including a butterfly core. Relatively less common semirigid pyridyl pyrazolyl-based asymmetric ligand systems show an interesting trend of forming polynuclear lanthanide cage complexes with different coordination environments around the metal centers. It is noteworthy here that construction of lanthanide complex itself is a challenging task in a ligand system as soft N-donor rich as pyridyl pyrazol. We report herein some lanthanide complexes using ligand containing only one or two O-donors compare to five N-coordinating sites. The resultant multinuclear lanthanide complexes show interesting magnetic and spectroscopic features originating from different spatial arrangements of the metal ions. Alternating current (ac) susceptibility measurements of the two dysprosium complexes display frequency- and temperature-dependent out-of-phase signals in zero and 0.5 T direct current field, a typical characteristic feature of single-molecule magnet (SMM) behavior, indicating different energy reversal barriers due to different molecular topologies. Another aspect of this work is the occurrence of the not-so-common SMM behavior of the terbium complex, further confirmed by ac susceptibility measurement.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b00334}, author = {Bala, Sukhen and Sen Bishwas, Mousumi and Pramanik, Bhaskar and Khanra, Sumit and Fromrn, Katharina M. and Poddar, Pankaj and Mondal, Raju} } @inbook {42953, title = {Conversion of biomass into sugars}, booktitle = {Biomass sugars for non-fuel applications}, year = {2015}, pages = {1-53}, publisher = {Royal Society of Chemistry}, organization = {Royal Society of Chemistry}, chapter = {1}, address = {Cambridge, UK}, doi = {10.1039/9781782622079}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant and Dmitry, Murzin and Olga, Simakova} } @article { ISI:000363152800005, title = {Core-shell nanoparticles: synthesis and applications in catalysis and electrocatalysis}, journal = {Chemical Society Reviews}, volume = {44}, number = {21}, year = {2015}, month = {AUG}, pages = {7540-7590}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Core-shell nanoparticles (CSNs) are a class of nanostructured materials that have recently received increased attention owing to their interesting properties and broad range of applications in catalysis, biology, materials chemistry and sensors. By rationally tuning the cores as well as the shells of such materials, a range of core-shell nanoparticles can be produced with tailorable properties that can play important roles in various catalytic processes and offer sustainable solutions to current energy problems. Various synthetic methods for preparing different classes of CSNs, including the Stober method, solvothermal method, one-pot synthetic method involving surfactants, etc., are briefly mentioned here. The roles of various classes of CSNs are exemplified for both catalytic and electrocatalytic applications, including oxidation, reduction, coupling reactions, etc.

}, issn = {0306-0012}, doi = {10.1039/c5cs00343a}, author = {Gawande, Manoj B. and Goswami, Anandarup and Asefa, Tewodros and Guo, Huizhang and Biradar, Ankush V. and Peng, Dong-Liang and Zboril, Radek and Varma, Rajender S.} } @article { ISI:000366339700024, title = {Cosolvent effects on solute-solvent hydrogen-bond dynamics: ultrafast 2D IR investigations}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {49}, year = {2015}, month = {DEC}, pages = {15334-15343}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cosolvents strongly influence the solute-solvent interactions of biomolecules in aqueous environments and have profound effects on the stability and activity of several proteins and enzymes. Experimental studies have previously reported on the hydrogen-bond dynamics of water molecules in the presence of a cosolvent, but understanding the effects from a solute{\textquoteright}s perspective could provide greater insight into protein stability. Because carbonyl groups are abundant in biomolecules, the current study used 2D IR spectroscopy and molecular dynamics simulations to compare the hydrogen-bond dynamics of the solute{\textquoteright}s carbonyl group in aqueous solution, with and without the presence of DMSO as a cosolvent. 2D IR spectroscopy was used to quantitatively estimate the time scales of the hydrogen-bond dynamics of the carbonyl group in neat water and 1:1 DMSO/water solution. The 2D IR results show spectral signatures of a chemical exchange process: The presence of the cosolvent was found to lower the hydrogen-bond exchange rate by a factor of 5. The measured exchange rates were 7.50 X 10(11) and 1.48 X 10(11) s(-1) in neat water and 1:1 DMSO/water, respectively. Molecular dynamics simulations predict a significantly shorter carbonyl hydrogen-bond lifetime in neat water than in 1:1 DMSO/water and provide molecular insights into the exchange mechanism. The binding of the cosolvent to the solute was found to be accompanied by the release of hydrogen-bonded water molecules to the bulk. The widely different hydrogen-bond lifetimes and exchange rates with and without DMSO indicate a significant change in the ultrafast hydrogen-bond dynamics in the presence of a cosolvent, which, in turn, might play an important role in the stability and activity of biomolecules.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b08643}, author = {Kashid, Somnath M. and Jin, Geun Young and Bagchi, Sayan and Kim, Yung Sam} } @article { ISI:000365529900006, title = {Cyclic cationic peptides containing sugar amino acids selectively distinguishes and inhibits maturation of pre-mirnas of the same family}, journal = {Nucleic Acid Therapeutics}, volume = {25}, number = {6}, year = {2015}, month = {DEC}, pages = {323-329}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

The discovery of microRNAs (miRNAs) has added a new dimension to the gene regulatory networks, making aberrantly expressed miRNAs as therapeutically important targets. Small molecules that can selectively target and modulate miRNA levels can thus serve as lead structures. Cationic cyclic peptides containing sugar amino acids represent a new class of small molecules that can target miRNA selectively. Upon treatment of these small molecules in breast cancer cell line, we profiled 96 therapeutically important miRNAs associated with cancer and observed that these peptides can selectively target paralogous miRNAs of the same seed family. This selective inhibition is of prime significance in cases when miRNAs of the same family have tissue-specific expression and perform different functions. During these conditions, targeting an entire miRNA family could lead to undesired adverse effects. The selective targeting is attributable to the difference in the three-dimensional structures of precursor miRNAs. Hence, the core structure of these peptides can be used as a scaffold for designing more potent inhibitors of miRNA maturation and hence function.

}, issn = {2159-3337}, doi = {10.1089/nat.2015.0554}, author = {Nahar, Smita and Bose, Debojit and Pal, Sudip and Chakraborty, Tushar Kanti and Maiti, Souvik} } @article { ISI:000353249500020, title = {Demonstration of synergistic catalysis in Au@Ni bimetallic core-shell nanostructures}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {15}, year = {2015}, month = {APR}, pages = {8138-8146}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Coreshell bimetallic nanoparticles comprised of gold core and varying nickel shell have been synthesized, and their synergistic effect in catalysis is explored through catalytic hydrogenation of p-nitrophenol and p-nitrothiophenol. A clear evidence for synergism in Au@Ni core-shell nanoparticles having an ultrathin Ni shell (1-2 nm) around a Au core (6-10 nm) resulting in enhanced catalytic activity is observed. The rates observed from a thin nickel shell are higher than monometallic Au or Ni nanoparticles of similar size or with a thicker Ni shell of 6-8 nm.

}, issn = {1932-7447}, doi = {10.1021/jp5128089}, author = {Vysakh, A. B. and Babu, Chinchu Lizen and Vinod, C. P.} } @article { ISI:000360934400007, title = {Design and development of cheminfocloud: an integrated cloud enabled platform for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {604-619}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The power of cloud computing and distributed computing has been harnessed to handle vast and heterogeneous data required to be processed in any virtual screening protocol. A cloud computing platorm ChemInfoCloud was built and integrated with several chemoinformatics and bioinformatics tools. The robust engine performs the core chemoinformatics tasks of lead generation, lead optimisation and property prediction in a fast and efficient manner. It has also been provided with some of the bioinformatics functionalities including sequence alignment, active site pose prediction and protein ligand docking. Text mining, NMR chemical shift (1H, 13C) prediction and reaction fingerprint generation modules for efficient lead discovery are also implemented in this platform. We have developed an integrated problem solving cloud environment for virtual screening studies that also provides workflow management, better usability and interaction with end users using container based virtualization, OpenVz.

}, keywords = {Chemoinformatics, cloud computing, machine learning, Molecular docking, OpenVz, sequence alignment, spectra prediction, text mining, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113656}, author = {Karthikeyan, Muthukumarasamy and Pandit, Deepak and Bhavasar, Arvind and Vyas, Renu} } @article { ISI:000364906600041, title = {Detailed study on the thermal, photo-physical and electrochemical properties and OFET applications of D-pi-A-pi-D structured unsymmetrical diketopyrrolopyrrole materials}, journal = {RSC Advances}, volume = {5}, number = {115}, year = {2015}, month = {OCT}, pages = {94859-94865}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of seven unsymmetrical diketopyrrolopyrrole (DPP) derivatives with donor-pi-acceptor-pi-donor (D-pi-A-pi-D) architecture have been designed, synthesized and well characterised. The effect of the electron donating capacity and extent of electronic conjugation of the end-capping units on the thermal, photo-physical and electrochemical properties of the synthesized materials was thoroughly investigated using various experimental techniques and theoretical calculations. Organic field-effect transistors (OFETs) were fabricated using these materials to obtain their hole/electron transporting characteristics. All these materials showed moderate to good hole transporting ability, and the OFET fabricated using the DPP-derivative with benzofuran and pyrene end groups exhibited a hole mobility of 6.7 x 10(-4) cm(2) V-1 s(-1) with VT of similar to 9 V. The observed photo-physical, electrochemical, thermal, and charge carrier properties of the synthesized DPP-derivatives indicated their applicability in various areas like organic photovoltaics, disposable electronics and biomedical devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra16653e}, author = {Bharath, D. and Chithiravel, Sundaresan and Sasikumar, M. and Chereddy, Narendra Reddy and Shanigaram, Balaiah and Bhanuprakash, K. and Krishnamoorthy, K. and Rao, V. Jayathirtha} } @article { ISI:000358837400009, title = {Development of diagnostic fragment ion library for glycated peptides of human serum albumin: targeted quantification in prediabetic, diabetic, and microalbuminuria plasma by parallel reaction monitoring, SWATH, and MSE}, journal = {Molecular \& Cellular Proteomics}, volume = {14}, number = {8}, year = {2015}, month = {AUG}, pages = {2150-2159}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Human serum albumin is one of the most abundant plasma proteins that readily undergoes glycation, thus glycated albumin has been suggested as an additional marker for monitoring glycemic status. Hitherto, only Amadori-modified peptides of albumin were quantified. In this study, we report the construction of fragment ion library for Amadori-modified lysine (AML), N(epsilon)-(carboxymethyl) lysine (CML)-, and N(epsilon)-(carboxyethyl) lysine (CEL)-modified peptides of the corresponding synthetically modified albumin using high resolution accurate mass spectrometry (HR/AM). The glycated peptides were manually inspected and validated for their modification. Further, the fragment ion library was used for quantification of glycated peptides of albumin in the context of diabetes. Targeted Sequential Window Acquisition of all THeoretical Mass Spectra (SWATH) analysis in pooled plasma samples of control, prediabetes, diabetes, and microalbuminuria, has led to identification and quantification of 13 glycated peptides comprised of four AML, seven CML, and two CEL modifications, representing nine lysine sites of albumin. Five lysine sites namely K549, K438, K490, K88, and K375, were observed to be highly sensitive for glycation modification as their respective m/z showed maximum fold change and had both AML and CML modifications. Thus, peptides involving these lysine sites could be potential novel markers to assess the degree of glycation in diabetes.

}, issn = {1535-9476}, doi = {10.1074/mcp.M115.050518}, author = {Korwar, Arvind M. and Vannuruswamy, Garikapati and Jagadeeshaprasad, Mashanipalya G. and Jayaramaiah, Ramesha H. and Bhat, Shweta and Regin, Bhaskaran S. and Ramaswamy, Sureshkumar and Giri, Ashok P. and Mohan, Viswanathan and Balasubramanyam, Muthuswamy and Kulkarni, Mahesh J.} } @article { ISI:000365930800010, title = {Development of newer adsorbents: activated carbons derived from carbonized cassia fistula}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {47}, year = {2015}, month = {DEC}, pages = {11844-11857}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of newer adsorbent materials, especially from biomass, is most crucial to sustain growth of otherwise well established adsorption processes that already have hundreds of commercial adsorbents in practice. In the present study, newer adsorbents and their potential-carbonaceous adsorbents derived from the whole fruit of Cassia fistula (Golden shower) have been reported for applications in environmental pollution control using natural, renewable biomass as precursor. The potential of different forms of the derived adsorbents produced by thermal and chemical activation was examined for two representative cases, desulfurization of transportation fuels and wastewater treatment. The adsorbents were characterized by FTIR, XRD, XPS, and SEM techniques that indicate specific characteristics useful as an adsorbent. A successful application in the real industrial wastewater treatment and comparison with well recognized commercial adsorbents clearly highlights the utility of the developed newer adsorbents in separation science and technology.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b02945}, author = {Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Salvi, Monal S. and Jain, Saijal and Hadawale, Snehal D. and Ranade, Vivek V.} } @article { ISI:000365410100025, title = {Deviation of polarity from linearity in liquid mixtures containing an ionic liquid}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {47}, year = {2015}, month = {NOV}, pages = {31613-31617}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The physico-chemical properties of liquid mixtures, in general, exhibit deviations from linear behaviour with respect to their composition, arising out of different types of cross-intermolecular interactions (both specific and non-specific). These specific and non-specific interactions can however be monitored to obtain the linear mixing in liquid mixtures using the pseudo-solvent methodology in such a manner that the interactions causing deviations from linearity are cancelled out and mixtures display linear behaviour.

}, issn = {1463-9076}, doi = {10.1039/c5cp05921f}, author = {Beniwal, Vijay and Shukla, Shashi K. and Kumar, Anil} } @article {42432, title = {Diastereoselective synthesis of cyclopentanone-fused spirooxindoles by N-heterocyclic carbene-catalyzed homoenolate annulation with isatilidenes}, journal = {Organic Chemistry Frontiers}, volume = {2}, year = {2015}, month = {SEP}, pages = {1584-1588}, abstract = {

N-Heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of α,β-unsaturated aldehydes with N-substituted isatilidenes resulting in the diastereoselective synthesis of cyclopentanone-fused spirooxindoles is demonstrated. Mechanistically, the reaction proceeds via the generation of homoenolate equivalent intermediates from NHC and enals, which on interception with isatilidenes afford spiroheterocyclic compounds bearing an all-carbon quaternary spiro-center in moderate to good yields and generally with high diastereoselectivity. Moreover, the functionalization of the spirooxindoles as well as the initial studies on the enantioselective version of this reaction are presented.

}, doi = {10.1039/C5QO00242G}, author = {Patra, Atanu and Bhunia, Anup and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000360415500033, title = {Diffusion of small solute particles in viscous liquids: cage diffusion, a result of decoupling of solute-solvent dynamics, leads to amplification of solute diffusion}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {34}, year = {2015}, month = {AUG}, pages = {11169-11175}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We study the diffusion of small solute particles through solvent by keeping the solute solvent interaction repulsive and varying the solvent properties. The study involves computer simulations, development of a new model to describe diffusion of small solutes in a solvent, and also mode coupling theory (MCT) calculations. In a viscous solvent, a small solute diffuses via coupling to the solvent hydrodynamic modes and also through the transient cages formed by the solvent. The model developed can estimate the independent contributions from these two different channels of diffusion. Although the solute diffusion in all the systems shows an amplification, the degree of it increases with solvent viscosity. The model correctly predicts that when the solvent viscosity is high, the solute primarily diffuses by exploiting the solvent cages. In such a scenario the MCT diffusion performed for a static solvent provides a correct estimation of the cage diffusion.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03034}, author = {Acharya, Sayantan and Nandi, Manoj K. and Mandal, Arkajit and Sarkar, Sucharita and Bhattacharyya, Sarika Maitra} } @article { ISI:000355093500003, title = {Direct glycosylation of unprotected and unactivated sugars using bismuth nitrate pentahydrate}, journal = {Journal of Carbohydrate Chemistry}, volume = {34}, number = {4}, year = {2015}, month = {MAY}, pages = {196-205}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Bi(NO3)(3), a low-cost, mild, and environmentally green catalyst, has been successfully utilized for Fischer glycosylation for the synthesis of alkyl/aryl glycopyranosides by reacting unprotected sugars, namely, D-glucose, L-rhamnose, D-galactose, D-arabinose, and N-acetyl-D-glucosamine with various alcohols in good to excellent yields. The glycosides were formed with high alpha-selectivity. Further, an expedient separation of alpha- and beta-glycosides using silver nitrate-impregnated silica gel flash liquid chromatography has been developed.

}, keywords = {Bismuth nitrate, carbohydrates, Fischer glycosylation, Flash chromatography, Separation}, issn = {0732-8303}, doi = {10.1080/07328303.2015.1028585}, author = {Polanki, Innaiah K. and Kurma, Siva H. and Bhattacharya, Asish K.} } @article { ISI:000347717000009, title = {Direct synthesis of secondary amines from alcohols and ammonia catalyzed by a ruthenium pincer complex}, journal = {Catalysis Letters}, volume = {145}, number = {1}, year = {2015}, month = {JAN}, pages = {139-144}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Efficient and selective direct synthesis of secondary amines from primary alcohols and ammonia with liberation of water has been achieved, with high turnover numbers and with no generation of waste. In case of benzylic alcohols, imines rather than amines are obtained. This atom economical, environmentally benign reaction is homogenously catalyzed by a well-defined bipyridine based Ru(II)-PNN pincer complex.

}, keywords = {Alcohol, Ammonia, Homogenous catalysis, Ru-pincer complex, Secondary amine}, issn = {1011-372X}, doi = {10.1007/s10562-014-1422-2}, author = {Balaraman, Ekambaram and Srimani, Dipankar and Diskin-Posner, Yael and Milstein, David} } @article { ISI:000353720700004, title = {Distinct molecular features facilitating ice-binding mechanisms in hyperactive antifreeze proteins closely related to an Antarctic sea ice bacterium}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {33}, number = {7}, year = {2015}, month = {JUL}, pages = {1424-1441}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Antifreeze proteins or ice-binding proteins (IBPs) facilitate the survival of certain cellular organisms in freezing environment by inhibiting the growth of ice crystals in solution. Present study identifies orthologs of the IBP of Colwellia sp. SLW05, which were obtained from a wide range of taxa. Phylogenetic analysis on the basis of conserved regions (predicted as the {\textquoteleft}ice-binding domain{\textquoteright} [IBD]) present in all the orthologs, separates the bacterial and archaeal orthologs from that of the eukaryotes{\textquoteright}. Correspondence analysis pointed out that the bacterial and archaeal IBDs have relatively higher average hydrophobicity than the eukaryotic members. IBDs belonging to bacterial as well as archaeal AFPs contain comparatively more strands, and therefore are revealed to be under higher evolutionary selection pressure. Molecular docking studies prove that the ice crystals form more stable complex with the bacterial as well as archaeal proteins than the eukaryotic orthologs. Analysis of the docked structures have traced out the ice-binding sites (IBSs) in all the orthologs which continue to facilitate ice-binding activity even after getting mutated with respect to the well-studied IBSs of Typhula ishikariensis and notably, all these mutations performing ice-binding using {\textquoteleft}anchored clathrate mechanism{\textquoteright} have been found to prefer polar and hydrophilic amino acids. Horizontal gene transfer studies point toward a strong selection pressure favoring independent evolution of the IBPs in some polar organisms including prokaryotes as well as eukaryotes because these proteins facilitate the polar organisms to acclimatize to the adversities in their niche, thus safeguarding their existence.

}, keywords = {antifreeze proteins, horizontal gene transfer, ice-recrystallization inhibition, Molecular docking, Phylogenetic analysis}, issn = {0739-1102}, doi = {10.1080/07391102.2014.952665}, author = {Banerjee, Rachana and Chakraborti, Pratim and Bhowmick, Rupa and Mukhopadhyay, Subhasish} } @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:000349580800008, title = {Effect of b site coordination environment in the ORR activity in disordered brownmillerites Ba2In2-xCexO5+delta}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {5}, year = {2015}, month = {FEB}, pages = {3041-3049}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ba2In2O5 brownmillerites in which the In site is progressively doped with Ce exhibit excellent oxygen reduction activity under alkaline conditions. Ce doping leads to structural changes advantageous for the reaction. Twenty-five percent doping retains the ordered structure of brownmillerite with alternate layers of tetrahedra and octahedra, whereas further increase in Ce concentration creates disorder. Structures with disordered oxygen atoms/vacancies are found to be better oxygen reduction reaction catalysts probably aided by isotropic ionic conduction, and Ba2In0.5Ce1.5O5+delta is the most active. This enhanced activity is correlated to the more symmetric Ce site coordination environment in this compound. Stoichiometric perovskite BaCeO3 with the highest concentration of Ce shows very poor activity emphasizing the importance of oxygen vacancies, which facilitate O-2 adsorption, in tandem with catalytic sites in oxygen reduction reactions.

}, keywords = {brownmillerite, fuel cell, oxygen disorder, oxygen reduction reaction, Rietveld refinement}, issn = {1944-8244}, doi = {10.1021/am5087837}, author = {Jijil, Chamundi P. and Bhange, Siddheshwar N. and Kurungot, Sreekumar and Devi, R. Nandini} } @article { ISI:000345895200048, title = {Effect of Pd and Ce on the enhancement of ethanol vapor response of SnO2 thick films}, journal = {Sensors and Actuators B-Chemical}, volume = {207}, number = {A}, year = {2015}, month = {FEB}, pages = {383-390}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The undoped SnO2 and 4 wt\% Ce-doped SnO2 were successfully synthesized by a facile co-precipitation route. The ternary systems were prepared by Pd-loading (0.5, 1.5 and 3.0 wt\%) on the 4 wt\% Ce-doped SnO2 nanoparticles. The structure and morphology of the nanocrystalline powders were investigated by X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The nanocrystalline powders were screen printed on the alumina substrates to form thick films to investigate their gas response properties. The gas response studies reveal that 4 wt\% Ce-doped SnO2 with the loading of 3.0 wt\% Pd exhibits high response (88\%) towards ethanol (100 ppm) at an operating temperature of 250 degrees C with quick response (6 s) and rapid recovery (20 s). The high ethanol vapor response at lower operating temperature of this sensor is attributed to the spill-over mechanism of Pd particles present on the SnO2 surface and enhancement in alkalescence of SnO2 due to Ce-doping. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Ce-doped tin oxide, Gas sensor, Semiconductor, Thick film}, issn = {0925-4005}, doi = {10.1016/j.snb.2014.10.021}, author = {Bagal, L. K. and Patil, J. Y. and Vaishampayan, M. V. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000354137000012, title = {Effects of careful designing of SAPO-44 catalysts on the efficient synthesis of furfural}, journal = {Catalysis Today}, volume = {251}, year = {2015}, note = {7th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT), Kyoto, JAPAN, JUN 01-06, 2014}, month = {AUG}, pages = {66-72}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Considering the growing importance of furfural, it is necessary to develop a robust solid acid catalyst for the conversion of xylan (hemicelluloses) into furfural in a one-pot method. In this study, the effects of various components (Si, Al and P) and crystallization time on the preparation of acidic materials and their properties are extensively described. It is seen that with the increase in crystallization time (0, 48, 96, 176 h) during the synthesis of silicoaluminophosphate (SAPO-44), materials morphology changes from amorphous to AFI to CHA and the best activity for furfural synthesis (82\%) from xylan was observed with SAPO-44 catalyst aged for 176 h. Since, acidity in the SAPO-44 is guided by the incorporation of Si in the ALPO framework, study on Si molar concentration (0.8, 1.0, 1.2, 1.4 and 1.6) in SAPO-44 was carried out and it was observed that SAPO-44 having 1.0 mole of Si content is the best catalyst for the xylan/xylose conversion to furfural. Catalyst structure-activity correlation is thoroughly defined with the help of several physico-chemical properties. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Biomass, furfural, Hemicellulose, SAPO-44, Xylose}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.10.042}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000347609400069, title = {Efficient Ag-nanoparticle embedded semi-IPN hydrogel for catalytic applications}, journal = {RSC Advances}, volume = {5}, number = {10}, year = {2015}, month = {DEC}, pages = {7567-7574}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silver nanoparticle embedded semi-IPN hydrogels based on a combination of poly(acrylamide) and poly(aspartic acid) were synthesized. These semi-IPN hydrogel networks can potentially serve as micro or nano reactors for entrapment of metal nanoparticles. Current methodology allows us to entrap metal nanoparticles throughout hydrogel networks via poly(aspartic acid) chains which are dispersed homogeneously in the gel matrix. The Ag-NPs were characterized by UV-vis absorption spectroscopy, transmission electronic microscopy (TEM), X-ray diffraction (XRD) and energy dispersive X-ray analysis (EDAX). The Ag embedded hydrogels catalyze the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH4 very efficiently at room temperature with good recyclability upto 3 cycles.

}, issn = {2046-2069}, doi = {10.1039/c4ra14594a}, author = {Patwadkar, Manjusha V. and Gopinath, Chinnakonda S. and Badiger, Manohar V.} } @article {45880, title = {Enantioselective synthesis of functionalized pyrazoles by NHC-catalyzed reaction of pyrazolones with alpha,beta-unsaturated aldehydes}, journal = {Organic Letters}, volume = {17}, year = {2015}, month = {MAR}, pages = {1417-1420}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-organocatalyzed enantioselective annulation reaction of pyrazolones with alpha,beta-unsaturated aldehydes proceeding via the chiral alpha,beta-unsaturated acyl azolium intermediates under oxidative conditions is presented. The reaction afforded dihydropyranone-fused pyrazoles in moderate to good yields and good er values under operationally simple and base-free conditions.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00293}, author = {Yetra, Santhivardhana Reddy and Mondal, Santigopal and Suresh, Eringathodi and Biju, Akkattu T.} } @article { ISI:000358099300015, title = {Enantioselective synthesis of (+)-hygroline and (+)-pseudohygroline via Keck allylation and CBS reduction}, journal = {Tetrahedron Letters}, volume = {56}, number = {32}, year = {2015}, month = {AUG}, pages = {4704-4705}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An enantioselective synthesis of (+)-hygroline and (+)-pseudohygroline has been achieved in high optical purity (98\% ee) from readily available 1,4-butanediol. The synthesis strategy employs a Keck allylation, CBS reduction, and Wacker oxidation. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {CBS reduction, Keck allylation, Pyrrolidines, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.06.012}, author = {Bhoite, Shubhangi P. and Kamble, Rohit B. and Suryavanshi, Gurunath M.} } @article { ISI: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: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:000355231200019, title = {Environmentally benign catalytic process for esterification of renewable levulinic acid to various alkyl levulinates biodiesel}, journal = {Environmental Progress \& Sustainable Energy}, volume = {34}, number = {3}, year = {2015}, month = {SEP}, pages = {795-801}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

This study explores, the use of modified zeolite (Micro/Meso-HZ-5) obtained by desilication post-treatment as heterogeneous catalyst for esterification of biomass derived renewable levulinic acid (LA) with different alkyl alcohols such as methanol, ethanol, n-butanol, and n-octanol aiming to produce corresponding alkyl levulinate. This method of production of alkyl levulinates would be sustainable process, as it can be used as novel miscible diesel biofuels preventing global warming by decreasing atmospheric CO2. The LA conversion obtained over Micro/Meso-HZ-5 was higher than H-ZSM-5, which is due to the combined effect of increase in Bronsted acid sites, total acidity, and other properties such as BET surface area and the generation of mesoporosity. The maximum LA conversion of 91, 95, 96, and 98\% with 100\% selectivity toward alkyl levulinate was obtained, when LA was being esterified over Micro/Meso-HZ-5 with methanol, ethanol, n-butanol, and n-octanol, respectively, at optimal process parameters. Micro/Meso-HZ-5 catalyst was found to be reusable for six cycles. Furthermore, pseudo homogeneous (P-H) kinetic model of the esterification of LA with the studied four alcohols were established with R-2\>0.99, using the experimental data. A P-H kinetic model implies that, the esterification reaction follows second order reversible kinetics. (c) 2014 American Institute of Chemical Engineers Environ Prog, 34: 795-801, 2015

}, keywords = {biofuels, Esterification, kinetic model, levulinic acid, meso-HZ-5, micro}, issn = {1944-7442}, doi = {10.1002/ep.12042}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000354199900072, title = {Environmentally friendly route for grafting of molybdenum carbonyl onto a diaminosilane-modified SBA-15 molecular sieve and its catalytic behaviour in olefin epoxidation}, journal = {New Journal of Chemistry}, volume = {39}, number = {5}, year = {2015}, month = {FEB}, pages = {3758-3764}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple route has been established for grafting molybdenum carbonyl onto the surface of a diaminosilane-modified SBA-15 molecular sieve. The successful grafting of the molybdenum carbonyl species onto diamine-functionalized SBA-15 was evident from FT-IR studies. The resultant molybdenum-carbonyl-complex-grafted SBA-15 (SBA-DA-Mo) materials show promising activity for the epoxidation of various olefins with good conversion (90-95\%) and the formation of epoxide as the major product. The catalytic activity remains constant over several runs.

}, issn = {1144-0546}, doi = {10.1039/c4nj02402h}, author = {Baskaran, Thangaraj and Kumaravel, Raju and Christopher, Jayaraj and Ajithkumar, Thalasseril G. and Sakthivel, Ayyamperumal} } @article { ISI:000348924600005, title = {Esterification of renewable levulinic acid to n-butyl levulinate over modified H-ZSM-5}, journal = {Chemical Engineering \& Technology}, volume = {38}, number = {2}, year = {2015}, month = {FEB}, pages = {246-252}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of n-butyl levulinate, one of the most important biodiesel additives, by catalytic esterification of biomass-derived levulinic acid (LA) with n-butanol over modified H-ZSM-5 (micro/meso-HZ-5) in a closed-batch system is reported for the first time. The optimization of the reaction conditions such as the reactant molar ratio, the catalyst loading, the reaction time and the temperature was performed in view to maximize the yield of n-butyl levulinate. Micro/meso-HZ-5 was found to be the most efficient catalyst, with 98\% yield of n-butyl levulinate and a reusability for six cycles, which is higher than reported in the literature. A possible catalytic mechanism for the esterification reaction is also proposed. A second-order pseudo-homogeneous model with R-2 \> 0.97 confirmed that the esterification reaction is performed in the kinetic regime due to the high activation energy of 23.84 kJ mol(-1).

}, keywords = {Esterification, kinetic model, levulinic acid, Micro/meso-HZ-5, n-Butyl levulinate}, issn = {0930-7516}, doi = {10.1002/ceat.201400326}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000363839500017, title = {Exploring microstructural changes in structural analogues of ibuprofen-hosted in situ gelling system and its influence on pharmaceutical performance}, journal = {AAPS Pharmscitech}, volume = {16}, number = {5}, year = {2015}, month = {OCT}, pages = {1153-1159}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present work explores inner structuration of in situ gelling system consisting of glyceryl monooleate (GMO) and oleic acid (OA). The system under study involves investigation of microstructural changes which are believed to govern the pharmaceutical performance of final formulation. The changes which are often termed mesophasic transformation were analysed by small angle Xray scattering (SAXS), differential scanning calorimetry (DSC), rheology and plane polarised light (PPL) microscopy. The current work revealed transformation of blank system from W/O emulsion to reverse hexagonal structure upon addition of structural analogues of ibuprofen. Such transformations are believed to occur due to increased hydrophobic volume within system as probed by SAXS analysis. The findings of SAXS studies were well supported by DSC, rheology and PPL microscopy. The study established inverse relationship between log P value of structural analogues of ibuprofen and the degree of binding of water molecules to surfactant chains. Such relationship had pronounced effect on sol-gel transformation process. The prepared in situ gelling system showed sustained drug release which followed Higuchi model.

}, keywords = {flurbiprofen, hexagonal phase, ibuprofen, ketoprofen, liquid crystal, sustained drug release}, issn = {1530-9932}, doi = {10.1208/s12249-015-0308-y}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article {43047, title = {Exploring the differences in metabolic behavior of astrocyte and glioblastoma: a flux balance analysis approach}, journal = {Systems and Synthetic Biology}, volume = {9}, year = {2015}, month = {DEC}, pages = {159-177}, doi = {10.1007/s11693-015-9183-9}, author = {Bhowmick, Rupa and Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000359867300004, title = {Extrusion film casting of long chain branched polypropylene}, journal = {Polymer Engineering and Science}, volume = {55}, number = {9}, year = {2015}, month = {SEP}, pages = {1977-1987}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Extrusion film casting (EFC) is an important melt processing operation which is extensively used to make polypropylene (PP) films. Linear PP shows significant amount of necking and draw resonance during EFC. One of the ways to reduce necking is to introduce long chain branches (LCB) on the polymer backbone. The long branches impart extensional strain hardening behavior thereby stabilizing the melt flow. In this work, we investigate the influence of long chain branching in polypropylene on the extent of necking in the EFC process. Laboratory scale EFC experiments were performed on homopolymer PP of linear and long chain branched architectures. Simulations of the EFC process were carried out using the one-dimensional flow model of Silagy et al., Polym. Eng. Sci.,36, 2614 (1996) into which we incorporate two different multi-mode molecular constitutive equations namely, the eXtended Pom-Pom{\textquoteright} equation (XPP, for long chain branched PP) and the Rolie-Poly{\textquoteright} equation (RP-S, for linear PP). Our experimental data confirm that presence of long chain branching in PP reduces the extent of necking and our numerical predictions show qualitative agreement with experimental data, thereby elucidating the role of chain architecture on the extent of necking. POLYM. ENG. SCI., 55:1977-1987, 2015. (c) 2014 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.24039}, author = {Chikhalikar, Kalyani and Banik, Sourya and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Doshi, Pankaj and Pol, Harshawardhan and Lele, Ashish K.} } @article { ISI:000345901600070, title = {Fe(III) phytate metallogel as a prototype anhydrous, intermediate temperature proton conductor}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {603-607}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A proton conducting metallogel [FNPA; ferric nitrate (FN)-phytic acid (PA)] is synthesized by immobilizing a protogenic ligand (phytic acid) using iron(III) nitrate in DMF. The xerogel shows high proton conductivity of 2.4 x 10(-2) S cm(-1) at 120 degrees C, the best value known among all metal organic materials (MOMs). Marking the first such attempt in MOMs, an electrode made using the xerogel showed a power density of 0.94 mW cm(-2) at 0.6 V under dry fuel cell conditions.

}, issn = {2041-6520}, doi = {10.1039/c4sc02294g}, author = {Aiyappa, Harshitha Barike and Saha, Subhadeep and Wadge, Pritish and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000350528300019, title = {First synthesis of nitrosporeusines, alkaloids with multiple biological activities}, journal = {Tetrahedron Letters}, volume = {56}, number = {10}, year = {2015}, month = {MAR}, pages = {1252-1254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of nitrosporeusines A and B, thioester-bearing alkaloids from the Arctic Streptomyces nitrosporeus with exceptional biological activity is disclosed for the first time. In addition, we have prepared another biologically important natural product, maleimycin, in optically pure form using a gram-scale enzymatic resolution method. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Enzymatic resolution, Influenza H1N1 virus, Maleimycin, Michael reaction, Nitrosporeusine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.01.143}, author = {Philkhana, Satish Chandra and Jachak, Gorakhnath R. and Gunjal, Vidya B. and Dhage, Nagsen M. and Bansode, Ajay H. and Reddy, D. Srinivasa} } @article {45934, title = {Fluorescent cadmium telluride quantum dots embedded chitosan nanoparticles: a stable, biocompatible preparation for bio-imaging}, journal = {Journal of Biomaterials Science-Polymer Edition}, volume = {26}, year = {2015}, month = {JAN }, pages = {42-56}, type = {Article}, abstract = {

Fluorescent cadmium telluride quantum dots (CdTe QDs) are an optically attractive option for bioimaging, but are known to display high cytotoxicity. Nanoparticles synthesized from chitosan, a natural biopolymer of beta 1-4 linked glucosamine, display good biocompatibility and cellular uptake. A facile, green synthetic strategy has been developed to embed green fluorescent cadmium telluride quantum dots (CdTe QDs) in biocompatible CNPs to obtain a safer preparation than {\textquoteleft}as is{\textquoteright} QDs. High-resolution transmission electron microscopy showed the crystal lattice corresponding to CdTe QDs embedded in CNPs while thermogravimetry confirmed their polymeric composition. Electrostatic interactions between thiol-capped QDs (4nm, -57mV) and CNPs (\~300nm, +38mV) generated CdTe QDs-embedded CNPs that were stable up to three months. Further, viability of NIH3T3 mouse fibroblast cells in vitro increased in presence of QDs-embedded CNPs as compared to bare QDs. At the highest concentration (10 mu g/ml), the former shows 34 and 39\% increase in viability at 24 and 48h, respectively, as compared to the latter. This shows that chitosan nanoparticles do not release the QDs up to 48h and do not cause extended toxicity. Furthermore, hydrolytic enzymes such as lysozyme and chitinase did not degrade chitosan nanoparticles. Moreover, QDs-embedded CNPs show enhanced internalization in NIH3T3 cells as compared to bare QDs. This method offers ease of synthesis and handling of stable, luminescent, biocompatible CdTe QDs-embedded CNPs with a favorable toxicity profile and better cellular uptake with potential for bioimaging and targeted detection of cellular components.

}, keywords = {Biocompatible, bioimaging, CdTe quantum dots, chitosan nanoparticles, Toxicity}, issn = {0920-5063}, doi = {10.1080/09205063.2014.982240}, author = {Ghormade, Vandana and Gholap, Haribhau and Kale, Sonia and Kulkarni, Vaishnavi and Bhat, Suresh and Paknikar, Kishore} } @article { ISI:000365532000008, title = {Fluorescent probes for the detection of cyanide ions in aqueous medium: cellular uptake and assay for beta-glucosidase and hydroxynitrile lyase}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {47}, year = {2015}, month = {OCT}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemodosimteric reagent (1) for the efficient detection of cyanide species (CN- and/or HCN) in aq. medium as well as under physiological conditions has been described. Selective reaction of the cyanide species with this reagent in the presence of all common interfering anions, amino acids and glutathione (GSH) led to the generation of the corresponding cyanohydrin derivative. The formation of the cyanohydrin derivative of the probe is associated with a visually detectable change in solution fluorescence in aq. buffer medium with 1.9 mu M NaCN, the threshold limit set by WHO for the safe drinking water and this makes this fluorogenic sensor an ideal candidate for in-field applications. An apparent switch on the luminescence response, ultralow detection limit, low response time, cell membrane permeability and insignificant toxicity are key features of a probe molecule, which gives it a distinct edge over previously reported chemodosimetric reagents for the detection of cyanide species (CN- or HCN) in an aqueous environment. This methodology could be used for developing a generalized and efficient fluorescence-based assay for crucial enzymes like beta-glucosidase and hydroxynitrile lyase. Furthermore, spectrally-resolved fluorescence microscopy measurements on single-cells revealed that this sensor molecule could also be used for imaging the cellular uptake of cyanide species from aq. solution contaminated with NaCN. Our results confirmed that statistical analysis of integrated intensity and transition energy obtained from the emission spectra collected over various microscopic sub-cellular regions can potentially be used to discriminate the effects of local cellular environments and that due to cyanide detection.

}, issn = {2050-750X}, doi = {10.1039/c5tb01853f}, author = {Agarwalla, Hridesh and Gangopadhyay, Monalisa and Sharma, Dharmendar Kumar and Basu, Santanu Kumar and Jadhav, Sameer and Chowdhury, Arindam and Das, Amitava} } @article { ISI: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:000363917000038, title = {Generic framework for crystallization processes using the population balance model and its applicability}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {42}, year = {2015}, month = {OCT}, pages = {10539-10548}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A generic modeling framework for batch cooling crystallization processes has been developed to understand the crystallization process from operational and modeling point of view. The generic framework for crystallization process modeling incorporates the characteristic dimensions of crystals and polymorphic transformation, as well as the hydrodynamic mixing effects in the crystallizer. This Polyhedral Polymorphic Multizonal Population Balance (PPMPBM) model considers bottom-up and top-down approaches for specific systems with specific targets. The PPMPBM framework allows switching between complex and simple models to study different crystallization systems with different scenarios and combination thereof. This framework uses gPROMS software (PSE, UK) and the Microsoft Excel front-end, along with the Polytope module in Matlab, to predict the crystal size and shape evolution as well as supersaturation profiles inside the crystallizer, which can be implemented for various crystallization systems.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b01421}, author = {Shaikh, Latif J. and Bari, Atul H. and Ranade, Vivek V. and Pandit, Aniruddha B.} } @article { ISI: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:000359962900040, title = {Glycine-linked nucleoside-beta-amino acids: polyamide analogues of nucleic acids}, journal = {Bioconjugate Chemistry}, volume = {26}, number = {8}, year = {2015}, month = {AUG}, pages = {1737-1742}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

3{\textquoteright}-5{\textquoteright}-Deoxyribose-sugar-phoshate backbone in DNA is completely replaced by 2{\textquoteright}-deoxyribonucleoside-based beta-amino acids interlinked by glycine to create uncharged polyamide DNA with 3{\textquoteright}-5{\textquoteright}-directionality. These oligomers as conjugates of alpha-amino acids and nucleoside-beta-amino acids bind strongly and sequence-specifically only to the antiparallel complementary RNA and DNA.

}, issn = {1043-1802}, doi = {10.1021/acs.bioconjchem.5b00296}, author = {Banerjee, Anjan and Seema Bagmare and Varada, Manojkumar and Kumar, Vaijayanti A.} } @article {42919, title = {Graphene nanoribbons as prospective field emitter}, journal = {Applied Physics Letters}, volume = {106}, year = {2015}, month = {JAN}, pages = {Article Number: 023111}, abstract = {

Field emission characteristics of graphene nanoribbons (GNRs) synthesized by unzipping of multiwall carbon nanotubes using a facile hydrothermal route have been investigated at a base pressure of 1 x 10(-8) mbar. The values of turn-on field, required to draw an emission current densities of 1 and 10 mu A/cm(2), are found to be 2.8 and 5.8 V/mu m, respectively, and a maximum emission current density of 500 mu A/cm(2) has been drawn at an applied field of 9.8 V/mu m. The emission current stability of the GNRs emitter was studied at preset values of 1 and 10 mu A over a period of 3 h, and is found to be excellent. The field emission results demonstrated herein suggest that GNRs based field emitters can open up many opportunities for their potential utilization as large area field emitters in various vacuum micro-nanoelectronic devices such as flexible field emission displays, portable X-ray, and microwave tubes. (C) 2015 AIP Publishing LLC.

}, doi = {10.1063/1.4905473}, author = {Khare, Ruchita T. and Shinde, Dhanraj B. and Bansode, Sanjeewani and More, Mahendra A. and Majumder, Mainak and Pillai, Vijayamohanan K. and Late, Dattatray J.} } @article { ISI:000358512200094, title = {Green approach for the decoration of Pd nanoparticles on graphene nanosheets: an in situ process for the reduction of C-C double bonds and a reusable catalyst for the suzuki cross-coupling reaction}, journal = {New Journal of Chemistry}, volume = {39}, number = {8}, year = {2015}, month = {JUN}, pages = {6631-6641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new strategy for in situ synthesis of palladium nanoparticles (Pd NPs) decorated on reduced graphene oxide (rGO) nanosheets with controlled size and shape is reported. This strategy was designed as three processes in one pot, namely, (a) reduction of graphene oxide, (b) formation of Pd NPs on the rGO nanosheets and (c) simultaneous reduction of olefin. In this synthesis process, a hydrogen atmosphere was used to develop the Pd NPs-rGO nanocatalyst, which is reusable and easily separable. The influence of the size and morphology of the Pd-rGO-H-2 catalyst on the catalytic activity in the Suzuki cross-coupling reaction was investigated by comparing with other catalysts, Pd-rGO-As and Pd-rGO-Gl, and they were synthesized by different reducing agents, ascorbic acid and glucose, respectively. The catalysts were characterized by electron microscopy (HRTEM, SEM), FT-IR, XRD and XPS. The Pd-rGO-H-2 catalyst was found to possess excellent catalytic activity and recyclability in the Suzuki cross-coupling reaction under mild reaction conditions.

}, issn = {1144-0546}, doi = {10.1039/c5nj01221j}, author = {Hussain, Najrul and Borah, Ashwini and Darabdhara, Gitashree and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000346742600008, title = {Heterogeneously catalyzed strategies for the deconstruction of high density polyethylene: plastic waste valorisation to fuels}, journal = {Green Chemistry}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {146-156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The plastic industry generates enormous quantities of plastics at projected rates (both production and consumption) which can significantly threaten our environment in terms of plastic waste generation. High density polyethylene (HDPE) is one of the main fractions of municipal solid waste which has a remarkable potential to be valorised into fuels (e.g. bio-oils). Catalytic degradation is an innovative alternative process to transform plastic waste into such value added products. This mini review was aimed to discuss the most relevant and recent catalysts developed for the catalytic degradation of HDPE including metal oxides, sulphated metal oxides, zeolites, nanostructured zeolites, molecular sieves, fluid catalytic cracking (FCC) catalysts, metal carbonates and mesoporous materials for the production of chemicals and fuels (e.g. diesel and gasolines). Activities and selectivities as well as important effects of additives, particle size, catalyst to polymer ratios and also recent approaches for waste management will be discussed.

}, issn = {1463-9262}, doi = {10.1039/c4gc01760a}, author = {Burange, Anand S. and Gawande, Manoj B. and Lam, Frank L. Y. and Jayaram, Radha V. and Luque, Rafael} } @article {42996, title = {High surface area porous carbon for ultracapacitor application by pyrolysis of polystyrene containing pendant carboxylic acid groups prepared via click chemistry}, journal = {Materials Today Communications}, volume = {4}, year = {2015}, month = {SEP}, pages = {166-175}, doi = {10.1016/j.mtcomm.2015.07.002}, author = {Chhatre, Shraddha and Aravindan, Vanchiappan and Puthusseri, Dhanya and Banerjee, Abhik and Madhavi, Srinivasan and Wadgaonkar, Prakash P. and Ogale, Satishchandra B.} } @article { ISI:000348753400054, title = {Highly loaded well dispersed stable Ni species in NiXMg2AlOY nanocomposites: application to hydrogen production from bioethanol}, journal = {Applied Catalysis B-Environmental}, volume = {166}, year = {2015}, month = {MAY}, pages = {485-496}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Inexpensive NiXMg2AlOY nanocomposites with high Ni content (Ni wt\% \> 40\%) are developed as efficient catalysts for the sustainable hydrogen production from a mixture of ethanol and water at low temperature. The NiXMg2AlOY nanocomposites are composed of small and uniform nanoparticles (4-6 nm) of NiO, Ni-Mg-(Al)-O and/or MgO. The strong interactions existing between Ni2+ cations and Mg2+ and/or Al3+ cations either in the Ni-Mg-(Al)-O solid solution and/or at the interface of nanoparticles of NiO and/or Ni-Mg-(Al)-O make the catalyst highly active and stable. The behavior of the solids is analyzed in the presence of low and high concentrations of ethanol while maintaining a H2O/EtOH molar ratio of 3. The NiXMg2AlOY catalysts are shown to be efficient toward H-2 production between 250 and 650 degrees C. In the presence of low concentration of ethanol, on the highly loaded Ni compound (Ni12Mg2AlOY), total conversion of ethanol is obtained at 250 degrees C without formation of CO and carbon, and at 300 degrees C a H-2 yield of 3 mol moletEtOH(-1) is obtained without the formation of CO, exhibiting a remarkable stability with the time on stream even if some carbon is formed. In high concentration of ethanol, total conversion of ethanol is obtained at 450 degrees C on the highly loaded Ni compound (Ni12Mg2AlOY). In such conditions, a stable co-generation of carbon nanofibrous materials which amount increases with Ni content is also obtained. The catalytic stability is related to the type and morphology of the carbon species formed. The correlations among the catalyst properties, the catalytic performances and the characterizations are thoroughly discussed. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Ethanol, Hydrogen, Nanofibrous carbon, nickel oxide, Steam reforming}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2014.11.052}, author = {Fang, Wenhao and Paul, Sebastien and Capron, Mickael and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck and Jalowiecki-Duhamel, Louise} } @article { ISI:000354578900029, title = {High-throughput simulations of dimer and trimer assembly of membrane proteins. the DAFT approach}, journal = {Journal of Chemical Theory and Computation}, volume = {11}, number = {5}, year = {2015}, month = {MAY}, pages = {2278-2291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1549-9618}, doi = {10.1021/ct5010092}, author = {Wassenaar, Tsjerk A. and Pluhackova, Kristyna and Moussatova, Anastassiia and Sengupta, Durba and Marrink, Siewert-Jan and Tieleman, D. Peter and Boeckmann, Rainer A.} } @article { ISI:000357618200043, title = {Hollow tubular porous covalent organic framework (COF) nanostructures}, journal = {Chemical Communications}, volume = {51}, number = {58}, year = {2015}, month = {JUN}, pages = {11717-11720}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hollow and tubular TpPa-COF structures have been synthesized by template-assisted replication of nanometer sized ZnO-nanorods. The hollow structures composed of microporous TpPa shells have high periodicity, moderate porosity, chemical stability and capsule shaped morphology as revealed by X-ray diffraction, porosity measurements, and SEM and TEM analyses.

}, issn = {1359-7345}, doi = {10.1039/c5cc04130a}, author = {Pachfule, Pradip and Kandmabeth, Sharath and Mallick, Arijit and Banerjee, Rahul} } @article { ISI:000353930700023, title = {Hybrid perovskite films by a new variant of pulsed excimer laser deposition: a room-temperature dry process}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {17}, year = {2015}, month = {APR}, pages = {9177-9185}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new variant of the classic pulsed laser deposition (PLD) process is introduced as a room-temperature dry process for the growth and stoichiometry control of hybrid perovskite films through the use of nonstoichiometric single target ablation and off-axis growth. Mixed halide hybrid perovskite films nominally represented by CH(3)NH(3)PbI(3-x)A(x) (A = Cl or F) are also grown and are shown to reveal interesting trends in the optical properties and photoresponse. Growth of good quality lead-free CH3NH3SnI3 films is also demonstrated, and the corresponding optical properties are presented. Finally, perovskite solar cells fabricated at room temperature (which makes the process adaptable to flexible substrates) are shown to yield a conversion efficiency of about 7.7\%.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02561}, author = {Bansode, Umesh P. and Naphade, Rounak and Game, Onkar S. and Agarkar, Shruti A. and Ogale, Satishchandra} } @article { ISI:000357961800065, title = {Hydrothermal synthesis and characterization of carbon nanospheres: a mechanistic insight}, journal = {RSC Advances}, volume = {5}, number = {73}, year = {2015}, month = {JUN}, pages = {59491-59494}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrothermally synthesized carbon nanospheres (CNS) follow a process of early nucleation followed by growth during synthesis. Here we report that growth occurs precisely after 5 min and prior to it nucleation occurs. The nucleation is a brief step in nanoparticle formation followed by growth of the nanoparticle depending on the reaction parameters.

}, issn = {2046-2069}, doi = {10.1039/c5ra10194h}, author = {Bhagat, P. N. and Patil, K. R. and Bodas, Dhananjay S. and Paknikar, K. M.} } @article { ISI:000351551800013, title = {Hysteretic DC electrowetting by field-induced nano-structurations on polystyrene films}, journal = {Soft Matter}, volume = {11}, number = {13}, year = {2015}, month = {FEB}, pages = {2655-2664}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Electrowetting (EW) offers executive wetting control of conductive liquids on several polymer surfaces. We report a peculiar electrowetting response for aqueous drops on a polystyrene (PS) dielectric surface in the presence of silicone oil. After the first direct current (DC) voltage cycle, the droplet failed to regain Young{\textquoteright}s angle, yielding contact angle hysteresis, which is close to a value found in ambient air. We conjecture that the hysteretic EW response appears from in situ surface modification using electric field induced water-ion contact with PS surface inducing nano-structuration by electro-hydrodynamic (EHD) instability. Atomic force microscopy confirms the formation of nano-structuration on the electrowetted surface. The effects of molecular weight, applied electric field, water conductivity and pH on nano-structuration are studied. Finally, the EW based nano-structuration on PS surface is used for the enhanced loading of aqueous dyes on hydrophobic surfaces.

}, issn = {1744-683X}, doi = {10.1039/c5sm00007f}, author = {Sawane, Yogesh B. and Datar, Suwarna and Ogale, Satishchandra B. and Banpurkar, Arun G.} } @article { ISI:000358370700007, title = {Identifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2015}, month = {AUG}, pages = {4860-4867}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The identification of a new class of luminogens based on pyrrolo-quinoxaline embedded coumarin (PQC) structures is reported. The reaction relies on the gold-catalyzed hydroarylation reaction of appropriately substituted aryl alkynoates that produces molecules that exhibit solvatochromism and aggregation-induced emission enhancement (AIEE) phenomena. The application of PQCs for live cell imaging has also been demonstrated.

}, keywords = {Cell imaging, Dyes/pigments, fluorescence, Gold, Luminescence, Solvatochromism}, issn = {1434-193X}, doi = {10.1002/ejoc.201500503}, author = {Shaikh, Aslam C. and Shalini, S. and Vaidhyanathan, Ramanathan and Mane, Manoj V. and Barui, Ayan Kumar and Patra, Chitta Ranjan and Venkatesh, Yeduru and Bangal, Prakriti Ranjan and Patil, Nitin T.} } @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:000360415500044, title = {Insights into the molecular dynamics in polysulfone polymers from C-13 solid-state NMR experiments}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {34}, year = {2015}, month = {AUG}, pages = {11287-11294}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The molecular and segmental motions in three different grades of ductile polysulfone polymers; poly(ether sulfone) (PESU), polysulfone (PSU), and poly(phenyl sulfone) (PPSU) are probed using C-13 solid-state NMR experiments. Polarization inversion spin exchange at magic angle (PISEMA) experiments indicates that the phenyl rings in the polymers are undergoing pi-flip motions on the order of 100 kHz. The temperature dependent PISEMA experiments show that the fraction of mobile regions that undergoes aromatic pi-flips is higher in PPSU than in the other two polymers. The center band only detection of exchange (CODEX) experiments was carried out and was unable to detect any slow segmental motions in the chains. A combination of C-13 spin-lattice relaxation time (T-1) and T-1-filtered PISEMA experiments show that the mobile regions in all the polymers are dynamically heterogeneous.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03103}, author = {Eldho, Kavalakal Mathai and Rajamohanan, P. R. and Anto, Ralf and Bulakh, Neelima N. and Lele, Ashish K. and Ajithkumar, Thalasseril G.} } @article { ISI:000358620100066, title = {Intrinsic therapeutic and biocatalytic roles of ionic liquid mediated self-assembled platinum-phytase nanospheres}, journal = {RSC Advances}, volume = {5}, number = {77}, year = {2015}, month = {JUL}, pages = {62871-62881}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We herein report the inherent antitumor efficiency of self-assembled phytase enzyme nanospheres and enhance their efficiency by decorating with platinum nanoparticles and with the anticancer drug curcumin. Firstly, controlled self-assembly of phytase enzyme in an Ionic Liquid 1-butyl-3-methylimidazolium tetrafluoroborate [Bmim][BF4], led to the formation of therapeutically active phytase nanospheres. These nanospheres were further decorated with platinum nanoparticles by adding the platinum ions to these spheres and the nanoparticles formation was mediated by the specific interaction between the histidine residue (in active site of phytase enzymes) and the platinum ions and subsequent reduction of the ions into nanoparticles. The enzyme spheres act as a functional soft template for the as-formed platinum nanoparticles. These Platinum decorated hybrid biomacromolecular phytase nanospheres were loaded with the anticancer drug curcumin and all the different kinds of nanospheres were subjected to in vitro cytotoxicity for their anticancer effect on three different kinds of cancer cell lines i.e. MCF-7, Hep-G2 and THP-1 derived human macrophages. We observed a gradual increase in the anticancer effect caused by only phytase nanospheres (25\%), platinum-phytase nanospheres (37\%), phytase-curcumin (78\%) and platinum-phytase-curcumin nanospheres (90\%) that establishes this protein based system as a robust combinatorial drug delivery vehicle. The platinum-phytase spheres also proved their usability as a highly efficient green and reusable biocatalytic system for phytate degradation. The present work facilitates our understanding of ionic liquid based synthesis for multifunctional protein based drug delivery vehicles incorporating combinatorial chemotherapy for potential application as biopharmaceutical agents for tumor treatment and bio-catalysis.

}, issn = {2046-2069}, doi = {10.1039/c5ra11273g}, author = {Soni, Sarvesh K. and Sarkar, Sampa and Selvakannan, P. R. and Sarkar, Dhiman and Bhargava, Suresh Kumar} } @article { ISI:000351354000028, title = {Investigation of antiglycation activity of isoprenaline}, journal = {RSC Advances}, volume = {5}, number = {32}, year = {2015}, month = {MAR}, pages = {25051-25058}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra01723h}, author = {Kolekar, Yogesh M. and Vannuruswamy, Garikapati and Bansode, Sneha B. and Santhakumari, B. and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J.} } @article { ISI:000347895500008, title = {Investigation of phosphoproteome in RAGE signaling}, journal = {Proteomics}, volume = {15}, number = {2-3, SI}, year = {2015}, month = {JAN}, pages = {245-259}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The receptor for advanced glycation end products (RAGE) is one of the most important proteins implicated in diabetes, cardiovascular diseases, neurodegenerative diseases, and cancer. It is a pattern recognition receptor by virtue of its ability to interact with multiple ligands, RAGE activates several signal transduction pathways through involvement of various kinases that phosphorylate their respective substrates. Only few substrates have been known to be phosphorylated in response to activation by RAGE (e.g., nuclear factor kappa B); however, it is possible that these kinases can phosphorylate multiple substrates depending upon their expression and localization, leading to altered cellular responses in different cell types and conditions. One such example is, glycogen synthase kinase 3 beta which is known to phosphorylate glycogen synthase, acts downstream to RAGE, and hyperphosphorylates microtubule-associated protein tau causing neuronal damage. Thus, it is important to understand the role of various RAGE-activated kinases and their substrates. Therefore, we have reviewed here the details of RAGE-activated kinases in response to different ligands and their respective phosphoproteome. Furthermore, we discuss the analysis of the data mined for known substrates of these kinases from the PhosphoSitePlus (http://www.phosphosite.org) database, and the role of some of the important substrates involved in cancer, diabetes, cardiovascular diseases, and neurodegenerative diseases. In summary, this review provides information on RAGE-activated kinases and their phosphoproteome, which will be helpful in understanding the possible role of RAGE and its ligands in progression of diseases.

}, keywords = {Cell biology, Disease, Glycation, Kinase, Phosphoproteome, RAGE}, issn = {1615-9853}, doi = {10.1002/pmic.201400169}, author = {Batkulwar, Kedar B. and Bansode, Sneha B. and Patil, Gouri V. and Godbole, Rashmi K. and Kazi, Rubina S. and Chinnathambi, Subashchandrabose and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article { ISI:000352668900015, title = {Investigation of the effect of amino acid chirality in the internucleoside linker on DNA:DNA and DNA : RNA duplex stability}, journal = {Tetrahedron}, volume = {71}, number = {16}, year = {2015}, month = {APR}, pages = {2442-2449}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Enzymatically and chemically stable amide-linked di/oligonucleosides are highly desired synthetic targets in which the phosphodiester linkages in native DNA are replaced by amide linkers of appropriate length and stereochemistry. The five-atom amide-linked dimers, synthesized from 3{\textquoteright}-amino-3{\textquoteright}-deoxy thymidine, (alpha-(L/D) proline/prochiral glycine and thymidine/uridine-4{\textquoteright}carboxylic acid derivatives, were incorporated into the DNA backbone to achieve partial replacement of selected phosphodiester linkages. The results stressed the importance of the chirality of linker amino acid. D-Proline was found to be the most compatible as an internucleoside linker in the DNA backbone to stabilize the complexes with DNA or RNA as compared to L-proline and glycine. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Amino acid, Chiral amide linkage, DNA, Five-atom amide linkage, L/D-Proline}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.02.042}, author = {Seema Bagmare and Gunjal, Anita D. and Kumar, Vaijayanti A.} } @article { ISI: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:000359234100023, title = {M-Au/TiO2 (M = Ag, Pd, and Pt) nanophotocatalyst for overall solar water splitting: role of interfaces}, journal = {Nanoscale}, volume = {7}, number = {32}, year = {2015}, month = {JUL}, pages = {13477-13488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

M-Au/TiO2 (M = Ag, Pd, Pt) composites were prepared through a facile one-pot photodeposition synthesis and evaluated for solar water splitting (SWS) with and without a sacrificial agent. The M-Au combination exhibits a dominant role in augmenting the H2 generation activity by forming a bi-metallic system. Degussa P25 was used as a TiO2 substrate to photodeposit Au followed by Au + M (M = Ag/Pd/Pt). The SWS activity of the M-Au/TiO2 was determined through photocatalytic H-2 production in the presence of methanol as a sacrificial agent under one sun conditions with an AM1.5 filter. The highest H-2 yield was observed for Pt-0.5-Au-1/TiO2 and was around 1.3 +/- 0.07 mmol h(-1) g(-1), with an apparent quantum yield (AQY) of 6.4\%. Pt-0.5-Au-1/TiO2 also demonstrated the same activity for 25 cycles of five hours each for 125 h. Critically, the same Pt-0.5-Au-1/TiO2 catalyst was active in overall SWS (OSWS) without any sacrificial agent, with an AQY = 0.8\%. The amount of Au and/or Pt was varied to obtain the optimum composition and it was found that the Pt0.5-Au1/TiO2 composition exhibits the best activity. Detailed characterization by physico-chemical, spectral and microscopy measurements was carried out to obtain an in-depth understanding of the origin of the photocatalytic activity of Pt-0.5-Au-1/TiO2. These in-depth studies show that gold interacts predominantly with oxygen vacancies present on titania surfaces, and Pt preferentially interacts with gold for an effective electron-hole pair separation at Pt-Au interfaces and electron storage in metal particles. The Pt in Pt-0.5-Au-1/TiO2 is electronically and catalytically different from the Pt in Pt/TiO2 and it is predicted that the former suppresses the oxygen reduction reaction.

}, issn = {2040-3364}, doi = {10.1039/c5nr03735b}, author = {Melvin, Ambrose A. and Illath, Kavya and Das, Tanmay and Raja, Thirumalaiswamy and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000355702900052, title = {Mesoporous TUD-1 supported indium oxide nanoparticles for epoxidation of styrene using molecular O-2}, journal = {RSC Advances}, volume = {5}, number = {58}, year = {2015}, month = {MAY}, pages = {46850-46860}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Activation of molecular O-2 by metal or metal oxide nanoparticles is an area of recent research interest. In this work, for the first time, we report that indium oxide nanoparticles of \<3 nm size dispersed on mesoporous silica (TUD-1) can activate molecular O-2 and produce styrene epoxide with a selectivity of 60\% and styrene conversion around 25\% under mild conditions. It is found that neither indium oxide nor TUD-1 themselves respond to the styrene epoxidation reaction. The computational studies provide evidence that an oxygen molecule is highly polarized when it is located near the interface of both surfaces. The kinetic study shows that the reaction is of pseudo-first order and that the activation energy for styrene conversion is 12.138 kJ mol(-1). The catalysts are recyclable for up to four regeneration steps, with the styrene conversion and styrene epoxide selectivity almost unchanged.

}, issn = {2046-2069}, doi = {10.1039/c5ra03400k}, author = {Rahman, Sumbul and Farooqui, Saleem A. and Rai, Aditya and Kumar, Rawesh and Santra, Chiranjit and Prabhakaran, Vinod C. and Bhadu, Gopala Ram and Sen, Debasis and Mazumder, S. and Maity, Sudip and Sinha, Anil K. and Chowdhury, Biswajit} } @article { ISI:000361312700001, title = {Micro-structural analysis of NiFe2O4 nanoparticles synthesized by thermal plasma route and its suitability for BSA adsorption}, journal = {Journal of Materials Science-Materials in Medicine}, volume = {26}, number = {8}, year = {2015}, month = {AUG}, pages = {216}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The paper presents the experimental studies pertaining to the adsorption of bovine serum albumin (BSA) on the nanoparticles of nickel ferrite (NiFe2O4) with a view of correlating the adsorption properties to their microstructure and zeta potentials. Physical properties of two kinds of nickel ferrites, one synthesized by thermal plasma route and the other by chemical co-precipitation method, are compared. Maximum adsorption (231.57 lg/mg) of BSA onto nickel ferrite nanoparticles, at body temperature (37 degrees C) was observed at pH-value of 5.58 for the thermal plasma synthesized particles showing its higher adsorption capacity than those synthesized by wet chemical means (178.71 mu g/mg). Under the same physical conditions the value of zeta potential, obtained for the former, was higher than that of the latter over a wide range of pH values (3.64-9.66). This is attributed to the differences in the specific surface energies of the two kinds of nanoparticles arising from the degree of crystallinity. The paper presents the experimental evidence for the single crystalline nature of the individual nanoparticles, with mean size of 32 nm, for the thermal plasma synthesized particles as evidenced from the high resolution transmission electron microscopy and electron diffraction analysis. The measurements also reveal the poor crystalline morphology in the chemically prepared particles (mean size of 28 nm) although the X-ray diffraction patterns are not much different. The atomic force microscopy images confirm that the surfaces of plasma synthesized nanoparticles possesses higher surface roughness than that of chemically synthesized one. Presence of adsorbed protein was confirmed by vibrational spectroscopy. The Langmuir adsorption model is found to fit into the experimental data better than the Freundlich adsorption model.

}, issn = {0957-4530}, doi = {10.1007/s10856-015-5547-7}, author = {Bhosale, Shivaji V. and Kanhe, Nilesh S. and Bhoraskar, S. V. and Bhat, Suresh K. and Bulakhe, Ravindra N. and Shim, Jae-Jin and Mathe, Vikas L.} } @article { ISI:000351933600106, title = {Molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {14}, year = {2015}, month = {FEB}, pages = {9509-9518}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

One of the options suggested for methane recovery from natural gas hydrates is molecular replacement of methane by suitable guests like CO2 and N-2. This approach has been found to be feasible through many experimental and molecular dynamics simulation studies. However, the long term stability of the resultant hydrate needs to be evaluated; the decomposition rate of these hydrates is expected to depend on the interaction between these guest and water molecules. In this work, molecular dynamics simulation has been performed to illustrate the effect of guest molecules with different sizes and interaction strengths with water on structure I (SI) hydrate decomposition and hence the stability. The van der Waals interaction between water of hydrate cages and guest molecules is defined by Lennard Jones potential parameters. A wide range of parameter spaces has been scanned by changing the guest molecules in the SI hydrate, which acts as a model gas for occupying the small and large cages of the SI hydrate. All atomistic simulation results show that the stability of the hydrate is sensitive to the size and interaction of the guest molecules with hydrate water. The increase in the interaction of guest molecules with water stabilizes the hydrate, which in turn shows a slower rate of hydrate decomposition. Similarly guest molecules with a reasonably small (similar to Helium) or large size increase the decomposition rate. The results were also analyzed by calculating the structural order parameter to understand the dynamics of crystal structure and correlated with the release rate of guest molecules from the solid hydrate phase. The results have been explained based on the calculation of potential energies felt by guest molecules in amorphous water, hydrate bulk and hydrate-water interface regions.

}, issn = {1463-9076}, doi = {10.1039/c5cp00678c}, author = {Das, Subhadip and Baghel, Vikesh Singh and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000363668200036, title = {Multifaceted core-shell nanoparticles: superparamagnetism and biocompatibility}, journal = {New Journal of Chemistry}, volume = {39}, number = {11}, year = {2015}, month = {AUG}, pages = {8513-8521}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

NicoreAgshell nanoparticles were synthesized by redox transmetallation reaction. Reduction potential match was encouraging to attempt the synthesis of the NicoreAushell system too. However, it could be achieved only after an effective surface modification on the Ni-core. Thorough characterization (UV-Vis spectroscopy, fluorescence spectroscopy, XRD, XPS, FTIR, TEM, and EDX) proved the necessity of surface modification and the success of synthesis of both types of core-shell structures. The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirmed the surface modification of Ni nanoparticles and the interactions involved between the ligands and metals (in the core and/or the shell) at various steps of the synthetic process. Even after the formation of the noble metal shell, the magnetic core was found to retain its superparamagnetic nature. In addition, the Au-shell protected the core from aerial oxidation and decreased toxicity as compared to pristine Ni nanoparticles as observed by MTT assay on normal cells (PBMCs).

}, issn = {1144-0546}, doi = {10.1039/c5nj01481f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Ahir, Manisha and Adhikary, Arghya and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000361559700081, title = {N-(3-Aminoalkyl)proline derivatives with potent antigycation activity}, journal = {RSC Advances}, volume = {5}, number = {94}, year = {2015}, month = {SEP}, pages = {77332-77340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra12148e}, author = {Chilukuri, Harsha and Kolekar, Yogesh M. and Bhosle, Govind S. and Godbole, Rashmi K. and Kazi, Rubina S. and Kulkarni, Mahesh J. and Fernandes, Moneesha} } @article {42434, title = {N-Heterocyclic carbene-catalyzed diastereoselective synthesis of β-lactone-fused cyclopentanes using homoenolate annulation reaction}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {MAY}, pages = {9559-9562}, abstract = {

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

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

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

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

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

}, issn = {1613-6810}, doi = {10.1002/smll.201303892}, author = {Unni, SreeKuttan M. and Bhange, Siddheshwar N. and Illathvalappil, Rajith and Mutneja, Nisha and Patil, Kasinath R. and Kurungot, Sreekumar} } @article { ISI:000361834900002, title = {One step synthesis of ethyl levulinate biofuel by ethanolysis of renewable furfuryl alcohol over hierarchical zeolite catalyst}, journal = {RSC Advances}, volume = {5}, number = {97}, year = {2015}, month = {SEP}, pages = {79224-79231}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ethanolysis of renewable furfuryl alcohol (FAL) to ethyl levulinate (EL) biofuel over various zeolites viz. H-ZSM-5 (microporous, medium pore), Hierarchical-HZ-5 (combination of micro-and meso pore), H-Beta (microporous, large pore) and Ultra Stable Y (USY, microporous, large pore) was studied in detail. To the best of our knowledge, probably for the first time, Hierarchical-HZ-5 synthesized by desilication post-treatment has been employed as a heterogeneous catalyst for ethanolysis of FAL. The synthesized catalysts were characterized by powder X-ray diffraction (PXRD), temperature programmed NH3 desorption (TPAD), Energy dispersive X-ray analysis (EDAX), etc. Response surface methodology (RSM) with Box-Behnken experimental design (BBD) was used to investigate the influence of three crucial process variables of ethanolysis such as ethanol to FAL molar ratio, percent catalyst loading and reaction temperature on EL yield. The optimization tool of design expert software was employed to obtain the optimum reaction parameters for FAL ethanolysis over Hierarchical-HZ-5 catalyst. Three intermediates of FAL ethanolysis reaction such as, ethoxymethylfuran (EMF), 4,5,5-triethoxypentan-2-one and diethyl ether (DEE) have been identified and quantified from the product mixture with the aid of Gas Chromatography-Mass Spectroscopy (GC-MS). Hierarchical-HZ-5 was found to be a potential catalyst for ethanolysis of FAL with 73\% EL yield and 26\% EMF yield at optimized process parameters.

}, issn = {2046-2069}, doi = {10.1039/c5ra13520f}, author = {Nandiwale, Kakasaheb Y. and Pande, Ashwini M. and Bokade, Vijay V.} } @article { ISI:000356021900003, title = {One-dimensional water cages with repeat units of (H2O)(24) resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes}, journal = {Crystengcomm}, volume = {17}, number = {24}, year = {2015}, month = {MAY}, pages = {4439-4443}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A 3D-coordination polymer was shown to trap one-dimensional polyhedral water cages consisting of repeat units of (H2O)(24), the geometry of which resembles the exotic organic molecule pagodane. Further, this material exhibited proton conduction ability and tunable luminescence emission by adsorption of anionic dyes such as the fluorescein dianion.

}, issn = {1466-8033}, doi = {10.1039/c5ce00969c}, author = {Maity, Kartik and Kundu, Tanay and Banerjee, Rahul and Biradha, Kumar} } @proceedings {42926, title = {One-pot thermal evaporation synthesis of CdS-RGO hetrostructure and its field emission study}, year = {2015}, month = {JUL}, pages = {82-83}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {

CdS-RGO heterostructure was synthesized by thermal evaporation method. The as-synthesized CdS-RGO heterostructure was characterized using X-ray Diffraction, SEM, and EADX, before field emission (FE) studies. The FE characteristics of a planar emitter made up of as-synthesized CdS-RGO heterostructures were measured at the base pressure 1x10(-8) mbar. The synthesized CdS-RGO heterostructure emitter is found to deliver a current density similar to 70 mu A/cm(2) at an applied electric field of similar to 4.7 V/mu m. Moreover, the nanocomposite shows excellent emission stability without significant current degradation making CdS-RGO heterostructure as a promising electron source for practical applications in various vacuum nano-microelectronic devices.

}, author = {Bansode, Sanjeewani R. and Khare, Ruchita T. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000357933400054, title = {Perturbative order analysis of the similarity transformed hamiltonian in fock-space coupled cluster theory: difference energy and electric response properties}, journal = {Molecular Physics}, volume = {113}, number = {13-14, SI}, year = {2015}, month = {JUL}, pages = {2046-2060}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on the various Fock-space coupled cluster (FSCC) sectors is presented through calculation of ionisation potential, electron affinity, excitation energies and response properties. Various truncation schemes of the effective Hamiltonian are presented with explicit form of the defining equations. Based on such a truncation, the approximate methods are labelled as FSCC(n), where n represents the correlation energy of the ionised, electron attached or excited states corrected at least up to nth order within coupled cluster singles and doubles scheme (CCSD). A lower scaling CC2 type of approach (abbreviated as FS-CC2) is compared against the group of FSCC(n) methods for energies. Electric response properties have been compared and contrasted for the two lower scaling methods: FSCC(2) and FS-CC2. The various truncated methods are tested for a number of small molecules. The results obtained from a range of truncated methods are compared against full FSCCSD calculations.

}, keywords = {electric response properties, Fock space, perturbative order, similarity transformed Hamiltonian}, issn = {0026-8976}, doi = {10.1080/00268976.2015.1059509}, author = {Bhattacharya, Debarati and Dutta, Achintya Kumar and Gupta, Jitendra and Pal, Sourav} } @article { ISI:000346189100095, title = {Phosphate enriched polyoxometalate based ionic salts for proton conduction}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {DEC}, pages = {2333-2337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of [NiMo12O30(PO4)(8)](n-) POM anion and organic cation based ionic composites have been prepared in hydrothermal conditions. The ionic composites with protonated ethylene diamine molecules have been tested for proton conductivity.

}, issn = {2046-2069}, doi = {10.1039/c4ra07598f}, author = {Dey, Chandan and Kundu, Tanay and Aiyappa, Harshitha Barike and Banerjee, Rahul} } @article { ISI:000355786500005, title = {Phosphonated USY, a promising catalyst for the development of environmentally benign biodiesel (methyl acetate) process}, journal = {Journal of Energy Chemistry}, volume = {24}, number = {3}, year = {2015}, month = {MAY}, pages = {285-290}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present study focuses on the evaluation of the potential applicability of Ultra Stable Y (USY) and phosphonated USY (1 wt\%-4 wt\% phosphorous loading) as heterogeneous catalysts for biodiesel (methyl acetate) production. The synthesized catalysts were characterized by powder X-ray diffraction (XRD), Brunaer-Emmett-Teller (BET) surface area, total acidity by temperature-programmed desorption of ammonia (TPD-NH3) and Fourier Transform Infrared (FTIR) spectra. The performances of catalysts were evaluated for the transesterification of butyl acetate with methanol (a model reaction in biodiesel production). In view to obtain a maximum yield of methyl acetate, the optimization of process parameters such as reactant molar ratio, catalyst loading, reaction temperature and reaction time was performed. All the phosphonated USY catalysts showed higher catalytic activity than the parent USY, which can be attributed to the increase of total acidity due to phosphonation. 2 wt\% P/USY (2\% phosphorous loaded on USY) exhibited 92\% methyl acetate yield with 100\% selectivity, which was proved to be a potential catalyst for biodiesel production. The invented catalyst was found to be stable and reusable for five catalytic cycles, demonstrating that it might be a environmentally benign catalytic process.

}, keywords = {Biodiesel, methyl acetate, phosphonated USY, transesterification}, issn = {2095-4956}, doi = {10.1016/S2095-4956(15)60313-8}, author = {Nandiwale, Kakasaheb Y. and Gopal, Gahana C. and Bokade, Vijay V.} } @article { ISI:000350856400003, title = {Polybenzimidazole based polymeric ionic liquids (PILs): effects of controlled degree of N-quaternization on physical and gas permeation properties}, journal = {Journal of Membrane Science}, volume = {481}, year = {2015}, month = {MAY}, pages = {19-27}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymeric ionic liquids (PILs) are gaining increasing attention as potential membrane materials to be employed for CO2 separation. With a goal to improve gas permeability, this work presents a series of film forming PlLs obtained by controlled degree of N-quaternization (DQ) of PBI-BuI using a bulky 4-tertbutylbenzyl group. Concurrent effects of variation in ionic content and bulky group substitution were analyzed for physical and gas permeation properties of the resulting PILs. Attempted structural variations leading to simultaneous increments in ionic content and bulky groups offered amorphous polymers with acceptable thermal stability and non-monotonous chain packing density. Enhancement in pure gas permeability coupled with appreciable selectivity for various gas pairs was in accordance with the packing density variations in the series. Gas permeability showed maxima at DQ of just 13\%. This conveyed that effects of bulky group substitution in retarding chain packing are overcome by attractive ionic interactions at much lower DQ in these PILs ionic interactions are thus more predominant in governing chain packing and gas permeation properties. These PILs possessed 3.3-20 times higher CO2 permeability in comparison to their parent PBI-BuI, without a significant loss in selectivity. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Degree of quaternization, Gas permeation, Polybenzimidazole, Polymeric ionic liquid}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.02.004}, author = {Rewar, Anita S. and Bhavsar, Rupesh S. and Sreekumar, K. and Kharul, Ulhas K.} } @article { ISI:000351556100059, title = {Polyelectrolytes in dilute solution: viscometric access to coil dimensions and salt effects}, journal = {RSC Advances}, volume = {5}, number = {35}, year = {2015}, month = {MAR}, pages = {27674-27681}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Copolymers of acrylamide (AM) and diallyldimethylammonium chloride (DADMAC), differing in molar masses M (52.3 to 227 kDa) and degrees of charging y (0.2 to 0.6), were studied with respect to their viscometric behavior in dilute aqueous solutions containing variable amounts of NaCl. Complementary measurements were performed on a Brookhaven 90 plus particle size analyzer. M dominates the intrinsic viscosities [eta]. For the viscometric interaction parameters B this is only true for large concentrations of extra salt. [eta] and B as a function of solvent salinity follow Boltzmann laws. Coil dimensions, determined either via dynamic light scattering or viscometry, agree well. For low salt contents of the solvent the radii decrease with rising polymer concentration, whereas they increase for high salt concentrations; at a characteristic salinity of the solvent they become independent. Zeta potentials grow from +20 to +40 mV as y goes up.

}, issn = {2046-2069}, doi = {10.1039/c5ra01376c}, author = {Suresha, P. R. and Badiger, Manohar V. and Wolf, Bernhard A.} } @article { ISI:000365205000004, title = {Pore surface engineering in porous, chemically stable covalent organic frameworks for water adsorption}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {47}, year = {2015}, month = {NOV}, pages = {23664-23669}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we have explored the possibility of a class of covalent organic frameworks (COFs) as water adsorbing materials. We have selected, synthesized 12 chemically stable functionalized Schiff base COFs and thoroughly studied their water uptake behaviour. Further, a deep understanding was developed with these COFs towards the effects of condensation pressure of water and hydrophilic/hydrophobic groups present in the COF pores on water absorption capacity and ultimately, their recyclability. Among all reported COFs, TpPa-1 shows the highest water uptake of 30 wt\% (368 cm(3) g(-1); 17 mmol g(-1)) at P/P-0 = 0.3, which is also comparable with the recently reported carbon materials and few well known MOFs. This study also reveals that the overall water uptake of COFs can be tuned systematically based on chemical functionality and pore size in a wider window of relative pressures.

}, issn = {2050-7488}, doi = {10.1039/c5ta07998e}, author = {Biswal, Bishnu P. and Kandambeth, Sharath and Chandra, Suman and Shinde, Digambar Balaji and Bera, Saibal and Karak, Suvendu and Garai, Bikash and Kharul, Ulhas K. and Banerjee, Rahul} } @article { ISI: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 {42673, title = {Preparation of Ni3S2 and Ni3S2-Ni nanosheets via solution based processes}, journal = {Crystal Growth \& Design}, volume = {15}, year = {2015}, month = {MAY}, pages = {2584{\textendash}2588}, abstract = {

An easy and convenient preparation of nanometer-thick sheets of Ni3S2 and Ni3S2{\textendash}Ni from solution processed molecularly thin sheets of Ni-thiolates is described. Both the Ni3S2 and Ni3S2{\textendash}Ni possessed sheet-like morphologies and displayed room temperature ferromagnetic characteristics. The ferromagnetic nature of these samples was also confirmed by MFM studies, and AFM/TEM investigations substantiated the sheet-like morphology of the samples.

}, doi = {10.1021/acs.cgd.5b00307}, author = {Busupalli, Balanagulu and Date, Kalyani S. and Datar, Suwarna and Bhagavatula L. V. Prasad} } @article { ISI:000349556700067, title = {Process optimization by response surface methodology for transesterification of renewable ethyl acetate to butyl acetate biofuel additive over borated USY zeolite}, journal = {RSC Advances}, volume = {5}, number = {22}, year = {2015}, month = {JAN}, pages = {17109-17116}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Butyl acetate, a renewable biofuel additive was synthesized by transesterification of butanol with ethyl acetate via a renewable and sustainable route. Use of fermentation derived bio-butanol and bio-ethyl acetate for synthesis of butyl acetate would be a more advantageous route over conventional Fischer Esterification. For the first time, a heterogeneous zeolite catalyst such as Ultra Stable Y (USY) and its modified versions obtained by borating on parent USY were used for the synthesis of butyl acetate. Response surface methodology (RSM) was employed to optimize the process parameters for transesterification of butanol with ethyl acetate over a 4\% (w/w) B-USY catalyst. The influence of three crucial process variables such as catalyst loading, molar ratio, and reaction temperature on yield of butyl acetate were addressed by Box-Behnken experimental design (BBD). 4\% (w/w) B-USY was proved to be a potential catalyst with 96\% yield of butyl acetate at optimum process parameters. The 4\% (w/w) B-USY catalyst was found to be reusable for 6 catalytic cycles.

}, issn = {2046-2069}, doi = {10.1039/c4ra14771e}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Bokade, Vijay V.} } @article { ISI: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:000351325200008, title = {Pyrazine-based organometallic complex: synthesis, characterization, and supramolecular chemistry}, journal = {Inorganic Chemistry}, volume = {54}, number = {6}, year = {2015}, month = {MAR}, pages = {2543-2550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The design, synthesis, and characterization of a new pyrazine-based ditopic platinum(II) organometallic complex are reported. The molecular structure of the organoplatinum pyrazine dipod was determined by single-crystal X-ray crystallography. The potential utility of this organometallic ditopic acceptor as a building block in the construction of neutral metallasupramolecular macrocycles containing the pyrazine motif was explored. Pyrazine motifs containing supramolecules were characterized by multinuclear NMR (including H-1 DOSY), mass spectrometry, and elemental analysis. The geometry of each supramolecular framework was optimized by employing the PM6 semi-empirical molecular orbital method to predict its shape and size. The ability of the pyrazine-based organoplatinum complex to act as a host for nitroaromatic guest (2,4-dinitrotoluene and PA) molecules was explored by isothermal titration calorimetry (ITC). The binding stoichiometry and thermodynamic parameters of these host guest complexation reactions were evaluated using ITC. Theoretical calculations were performed to obtain insight into the binding pattern between the organometallic host and nitroaromatic guests. The preferable binding propensity of the binding sites of complex 1 for both nitroaromatics (PA and 2,4-dinitrotoluene) determined by molecular simulation studies corroborates well with the experimental results as obtained by ITC experiments.

}, issn = {0020-1669}, doi = {10.1021/ic502581x}, author = {Bhowmick, Sourav and Chakraborty, Sourav and Das, Atanu and Rajamohanan, P. R. and Das, Neeladri} } @article { ISI:000356515900042, title = {Rational approach towards enhancing solar water splitting: a case study of Au-RGO/N-RGO-TiO2}, journal = {Nanoscale}, volume = {7}, number = {25}, year = {2015}, month = {MAY}, pages = {11206-11215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rational approach was employed to enhance the solar water splitting (SWS) efficiency by systematically combining various important factors that helps to increase the photocatalytic activity. The rational approach includes four important parameters, namely, charge generation through simulated sunlight absorption, charge separation and diffusion, charge utilization through redox reaction, and the electronic integration of all of the above three factors. The complexity of the TiO2 based catalyst and its SWS activity was increased systematically by adding reduced graphene oxide (RGO) or N-doped RGO and/or nanogold. Au-N-RGO-TiO2 shows the maximum apparent quantum yield (AQY) of 2.46\% with a H-2 yield (525 mu mol g(-1) h(-1)) from aqueous methanol, and overall water splitting activity (22 mu mol g(-1) h(-1); AQY = 0.1\%) without any sacrificial agent under one sun conditions. This exercise helps to understand the factors which help to enhance the SWS activity. Activity enhancement was observed when there is synergy among the components, especially the simulated sunlight absorption (or one sun conditions), charge separation/conduction and charge utilization. Electronic integration among the components provides the synergy for efficient solar light harvesting. In our opinion, the above synergy helps to increase the overall utilization of charge carriers towards the higher activity.

}, issn = {2040-3364}, doi = {10.1039/c5nr02613j}, author = {Bharad, Pradnya A. and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000362890300003, title = {Rational drug design, synthesis and biological evaluation of dihydrofolate reductase inhibitors as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {7}, number = {8}, year = {2015}, month = {JUN}, pages = {979-988}, publisher = {FUTURE SCI LTD}, address = {UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND}, abstract = {

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

}, issn = {1756-8919}, doi = {10.4155/FMC.15.48}, author = {Tawari, Nilesh R. and Bag, Seema and Raju, Archana and Lele, Arundhati C. and Bairwa, Ranjeet and Ray, Mukti Kanta and Rajan, M. G. R. and Nawale, Laxman U. and Sarkar, Dhiman and Degani, Mariam S.} } @article {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:000358219300005, title = {Recent advances in employing homoenolates generated by N-heterocyclic carbene (NHC) catalysis in carbon-carbon bond-forming reactions}, journal = {Chemical Society Reviews}, volume = {44}, number = {15}, year = {2015}, month = {MAY}, pages = {5040-5052}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The use of NHCs for generating homoenolate species has gained widespread popularity in recent years. A number of highly stereoselective processes of NHC-homoenolates have emerged. Homoenolate reactions have also been employed as key steps in the total synthesis of a number of natural products. The use of compatible co-catalysts, improved NHC-catalyst design and the use of novel precursors for homoenolate generation are among the major developments in this area that were disclosed recently. This tutorial review organises and presents the advancements in this rapidly growing area of catalysis and in the process updates a previous account published in 2011 in this journal.

}, issn = {0306-0012}, doi = {10.1039/c5cs00162e}, author = {Menon, Rajeev S. and Biju, Akkattu T. and Nair, Vijay} } @article {42436, title = {Recent advances in the N-heterocyclic carbene (NHC)-organocatalyzed stetter reaction and related chemistry}, journal = {Synthesis-Stuttgart}, volume = {47}, year = {2015}, month = {APR}, pages = {1357-1378}, abstract = {

Recent developments in the N-heterocyclic carbene (NHC)-catalyzed umpolung of aldehydes followed by their interception with activated carbon{\textendash}carbon double bonds, namely the Stetter reaction, are presented. Advances in the inter- and intramolecular versions of this reaction, enantioselective transformations as well as the use of unactivated olefins in this type of reaction are discussed.

}, doi = {10.1055/s-0034-1378692}, author = {Yetra, Santhivardhana Reddy and Patra, Atanu and Biju, Akkattu T.} } @article { ISI:000360025100006, title = {Reduction of graphene oxide by 100 MeV Au ion irradiation and its application as H2O2 sensor}, journal = {Journal of Physics D-Applied Physics}, volume = {48}, number = {36}, year = {2015}, month = {SEP}, pages = {365105}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Graphene oxide (GO) synthesized from a modified Hummer{\textquoteright}s method was reduced (referred, rGO) by using 100 MeV Au ion species and its response to the sense H2O2 was investigated. The changes in the atomic composition and structural properties of rGO after irradiation were studied using x-ray diffraction, Fourier transform infrared spectroscopy and x-ray photoelectron spectroscopy. These results suggested that the removal of the oxygen-containing functional groups and the improvement of the electrochemical performance of reduced graphene oxide (rGO) after ion irradiation. Raman spectroscopic results revealed the increase in the disorder parameter (I-D/I-G) after Au ion irradiation and also the formation of a large number of small sp(2) domains due to the electronic energy loss of ion beam. The resultant rGO was investigated for H2O2 sensing using electrochemical techniques and it showed a good response.

}, keywords = {electronic energy loss, GO, ion beam irradiation, reduction}, issn = {0022-3727}, doi = {10.1088/0022-3727/48/36/365105}, author = {Hareesh, K. and Joshi, R. P. and Shateesh, B. and Asokan, K. and Kanjilal, D. and Late, Dattatray J. and Dahiwale, S. S. and Bhoraskar, Vasant N. and Haram, Santosh K. and Dhole, Sanjay D.} } @article { ISI:000363949300020, title = {Removal of methylene blue (MB) dye from water environment by processed Jowar Stalk [Sorghum bicolor (L.) Moench] adsorbent}, journal = {Clean Technologies and Environmental Policy}, volume = {17}, number = {8}, year = {2015}, month = {DEC}, pages = {2349-2359}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present paper discusses the results of the study of adsorption of methylene blue on activated carbon, derived from cheap and abundantly available agro-residue of Jowar Stalk (JS) [Sorghum bicolor (L.) Moench] on suitable heat and acid treatment. The physico-chemical and morphological characteristics of processed carbon of JS origin were studied using X-ray diffraction, scanning electron microscopy, Brunauer, Emmett and Teller surface area, and Fourier transform infrared spectrophotometry analyses. The batch studies revealed optimum values of adsorption parameters such as pH, adsorbent dosage, agitation speed, grain size, temperature, and contact time as 7, 1.5 g l(-1), 200 rpm, finer than 75 A mu m, 30 A degrees C, and 7 h, respectively. The adsorption isotherm data were best described by Langmuir isotherm model with a maximum adsorption capacity of 176.05 mg MB g(-1) JS activated carbon at 30 A degrees C, which is higher than that available with adsorbents used by past researchers. In terms of cost-effectiveness, JS carbon shows its superiority over commercially available carbon.

}, keywords = {Adsorption, Isotherms, kinetics, Methylene blue, Processed Jowar Stalk [Sorghum bicolor (L.) Moench]}, issn = {1618-954X}, doi = {10.1007/s10098-015-0977-y}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, D. R.} } @article { ISI:000364933100004, title = {Reversed reactivity of anilines with alkynes in the rhodium-catalysed C-H activation/carbonylation tandem}, journal = {Nature Communications}, volume = {6}, year = {2015}, month = {OCT}, pages = {Article Number: 8591}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Development of multicatalytic approach consisting of two or more mechanistically distinct catalytic steps using a single-site catalyst for rapid and straightforward access of structurally complex molecules under eco-benign conditions has significance in contemporary science. We have developed herein a rhodium-catalysed C-H activation strategy which uses an unprotected anilines and an electron-deficient alkynes to C-C bonded products as a potential intermediate in contrast to the archetypical C-N bonded products with high levels of regioselectivity. This is followed by carbonylation of C-H bond activated intermediate and subsequent annulation into quinolines has been described. This rhodium-catalysed auto-tandem reaction operates under mild, environmentally benign conditions using water as the solvent and CO surrogates as the carbonyl source with the concomitant generation of hydrogen gas. The strategy may facilitate the development of new synthetic protocols for the efficient and sustainable production of chemicals in an atom-economic way from simple, abundant starting materials.

}, issn = {2041-1723}, doi = {10.1038/ncomms9591}, author = {Midya, Siba Prasad and Sahoo, Manoj Kumar and Landge, Vinod Gokulkrishna and Rajamohanan, P. R. and Balaraman, Ekambaram} } @article {42697, title = {Reverse-hydroformylation: a missing reaction explored}, journal = {Organic Chemistry Frontiers}, volume = {2}, year = {2015}, month = {AUG}, pages = {1422-1424}, abstract = {

Recent progress in transition-metal catalysed acceptor- and acceptorless-reverse hydroformylation of aldehydes for the conversion of olefins has been discussed. The aldehyde feedstock serves as a source for production of syngas and valuable alkenes.

}, doi = {10.1039/C5QO00229J}, author = {Nandakumar, Avanashiappan and Sahoo, Manoj Kumar and Balaraman, Ekambaram} } @article { ISI:000355889800021, title = {Review of the hydrate based gas separation (HBGS) process for carbon dioxide pre-combustion capture}, journal = {Energy}, volume = {85}, year = {2015}, month = {JUN}, pages = {261-279}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this work, a systematic review of the literature work done so far on the use of hydrate crystallization as a basis to develop data for the hydrate based gas separation (HBGS) process for the capture of CO2 from fuel gas mixtures is presented. Such a gas mixture may arise in integrated gasification combined cycle (IGCC) power plants. A thorough assessment of the thermodynamic, kinetic factors and economic aspects of the HBGS process and critical comments are presented. Compared with competing technologies, high CO2 capacity and the use of water as a solvent are key advantages for the HBGS process for CO2 capture. Furthermore, in this review, a snapshot of the current state-of-the-art is presented and further research and development opportunities and pathways for commercializing the HBGS process for pre-combustion capture of CO2 from IGCC power plants are discussed. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Gas separation, IGCC plants, Pre-combustion capture}, issn = {0360-5442}, doi = {10.1016/j.energy.2015.03.103}, author = {Babu, Ponnivalavan and Linga, Praveen and Kumar, Rajnish and Englezos, Peter} } @article { ISI:000353689400017, title = {Rifampicin reduces advanced glycation end products and activates DAF-16 to increase lifespan in Caenorhabditis elegans}, journal = {Aging Cell}, volume = {14}, number = {3}, year = {2015}, month = {JUN}, pages = {463-473}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Advanced glycation end products (AGEs) are formed when glucose reacts nonenzymatically with proteins; these modifications are implicated in aging and pathogenesis of many age-related diseases including type II diabetes, atherosclerosis, and neurodegenerative disorders. Thus, pharmaceutical interventions that can reduce AGEs may delay age-onset diseases and extend lifespan. Using LC-MSE, we show that rifampicin (RIF) reduces glycation of important cellular proteins in vivo and consequently increases lifespan in Caenorhabditis elegans by up to 60\%. RIF analog rifamycin SV (RSV) possesses similar properties, while rifaximin (RMN) lacks antiglycation activity and therefore fails to affect lifespan positively. The efficacy of RIF and RSV as potent antiglycating agents may be attributed to the presence of a p-dihydroxyl moiety that can potentially undergo spontaneous oxidation to yield highly reactive p-quinone structures, a feature absent in RMN. We also show that supplementing rifampicin late in adulthood is sufficient to increase lifespan. For its effect on longevity, rifampicin requires DAF-18 (nematode PTEN) as well as JNK-1 and activates DAF-16, the FOXO homolog. Interestingly, the drug treatment modulates transcription of a different subset of DAF-16 target genes, those not controlled by the conserved Insulin-IGF-1-like signaling pathway. RIF failed to increase the lifespan of daf-16 null mutant despite reducing glycation, showing thereby that DAF-16 may not directly affect AGE formation. Together, our data suggest that the dual ability to reduce glycation in vivo and activate prolongevity processes through DAF-16 makes RIF and RSV effective lifespan-extending interventions.

}, keywords = {advanced glycation end products, aging, Caenorhabditis elegans, DAF-16, Glycation, lifespan, rifampicin}, issn = {1474-9718}, doi = {10.1111/acel.12327}, author = {Golegaonkar, Sandeep and Tabrez, Syed S. and Pandit, Awadhesh and Sethurathinam, Shalini and Jagadeeshaprasad, Mashanipalya G. and Bansode, Sneha B. and Sampathkumar, Srinivasa-Gopalan and Kulkarni, Mahesh J. and Mukhopadhyay, Arnab} } @article { ISI:000350116200014, title = {Robustness screen in enantioselective catalysis enabled generation of enantioenriched heterocyclic scaffolds in one pot}, journal = {Chemistry-A European Journal}, volume = {21}, number = {9}, year = {2015}, month = {FEB}, pages = {3580-3584}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Enantioselective catalysis has emerged as a powerful synthetic paradigm and has accelerated the development of new methods to make diverse chiral molecules. Generally, these reactions are very sensitive to the steric and electronic environment present in the catalyst as well as the substrates. With this scenario, the presence of an additional component in the reaction mixture is expected to add complexity in achieving the enantioselective variants. Herein, we report that various enantioenriched molecules could be obtained from multiple starting materials in one pot. The reaction of aminoaromatics A with alkynols B-1, B-2, B-3...B-n with a Au-I/chiral BrOnsted acid catalyst afforded AB(1)*, AB(2)*, AB(3)*...AB(n)*; while, the reaction of alkynols B with aminoaromatics A(1), A(2), A(3)...A(n) under the same reaction conditions gave A(1)B*, A(2)B*, A(3)B*...A(n)B*.

}, keywords = {chiral Bronsted acid, Enantioselectivity, Gold, molecular scaffolds, robustness screen}, issn = {0947-6539}, doi = {10.1002/chem.201406045}, author = {Bagle, Pradip N. and Shinde, Valmik S. and Patil, Nitin T.} } @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:000366878100001, title = {Role of surfactants in promoting gas hydrate formation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {49}, year = {2015}, month = {DEC}, pages = {12217-12232}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Gas hydrates have been proposed as a potential technology for a number of applications, such as separation of gas mixtures, CO2 capture, transportation, and sequestration, methane storage and transport, and seawater desalination. Most of these applications will benefit from reduced induction time of hydrate nucleation, enhanced hydrate growth rate, and maximum water-to-hydrate conversion. The addition of surfactants to the gas-water system serves this purpose in a very effective manner. This review focuses on different surfactants that were utilized for gas hydrate formation studies; insights have been provided on the possible mechanisms of action through which these surfactants affect hydrate formation kinetics. A thorough analysis of the existing literature on surfactants suggests that enhanced rate of hydrate nucleation and growth kinetics may not be directly linked to micelle formation. Conversely, reduced surface tension in the presence of surfactants not only enhances the mass transfer but also changes the morphology of hydrate formation, which in turn enhances gas-water interactions for faster hydrate growth rate.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b03476}, author = {Kumar, Asheesh and Bhattacharjee, Gaurav and Kulkarni, B. D. and Kumar, Rajnish} } @article { ISI:000359654100006, title = {Role of tumor cell surface lysosome-associated membrane protein-1 (LAMP1) and its associated carbohydrates in lung metastasis}, journal = {Journal of Cancer Research and Clinical Oncology}, volume = {141}, number = {9}, year = {2015}, month = {SEP}, pages = {1563-1574}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Expression of lysosome-associated membrane protein-1 (LAMP1) on the surface correlates with metastatic potential of B16 melanoma cells. Downregulation of their expression in high metastatic (B16F10) cells reduced their surface expression and metastatic potential. Present investigations explore if overexpression of LAMP1 on the surface of low metastatic (B16F1) cells augment their metastatic ability, and if so, how? B16F1 cells were transduced with lentiviral vector carrying mutant-LAMP1 (Y386A) (mutLAMP1). Surface expression of LAMP1 and carbohydrates was analyzed by flow cytometry, immunofluorescence and/or immunoprecipitation and Western blotting. Cell spreading and motility were assessed on components of extracellular matrix (ECM) (fibronectin) and basement membrane (BM) (matrigel), and galectin-3-coated coverslips/plates. Metastatic potential was assessed using experimental metastasis assay. Pre-incubation with anti-LAMP1 antibodies significantly reduced lung metastasis of B16F10 cells. Overexpression of mutLAMP1 significantly increased its surface expression on B16F1 cells, resulting in increased cellular spreading and motility on fibronectin and matrigel. LAMP1 is the major carrier of poly-N-acetyllactosamine (polyLacNAc) on B16F10 cells. However, significantly higher expression of mutLAMP1 had no effect on galectin-3 binding on cell surface or on spreading or motility of cells on galectin-3-coated coverslips/plates. These cells also failed to show any gain in metastatic ability. This could be because LAMP1 from these cells carried significantly lower levels of polyLacNAc in comparison with B16F10 cells. PolyLacNAc on B16F10 cells and galectin-3 on lungs are the major participants in melanoma metastasis. Although surface LAMP1 promotes interactions with organ ECM and BM, carbohydrates on LAMP1 play a decisive role in dictating lung metastasis.

}, keywords = {6 branched N-oligosaccharides, beta 1, Cell surface LAMP1, Galectin-3, Motility, Organ-specific metastasis, Poly-N-acetyllactosamine}, issn = {0171-5216}, doi = {10.1007/s00432-015-1917-2}, author = {Agarwal, Akhil Kumar and Srinivasan, Nithya and Godbole, Rashmi K. and More, Shyam K. and Budnar, Srikanth and Gude, Rajiv P. and Kalraiya, Rajiv D.} } @article {42984, title = {Rottlerin derivatives and other compounds from mallotus philippinensis fruits and their potential antimycobactrial activity}, journal = {Planta Medica Letters}, volume = {2}, year = {2015}, month = {JUN}, pages = {e28-e30}, abstract = {

The methanolic extract of the fruits of Mallotus philippinensis afforded 13 compounds, 7,11-diketo-lanost-3-ol (1, as acetate), lanosta-8-ene-3β-ol (2, as acetate), pregnenolone (3, as acetate), trans-chalcone (4), kamalachalcone E (5), oleanolic acid (6), gallic acid (7), kaempferol (8), myricetin (9), 1-(5,7-dihydroxy-2,2,6-trimethyl-2 H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one (10), 4'-hydroxyisorottlerin (11), rottlerin (12), and shikimic acid (13). Compound 1 was isolated as a new natural product and its structure was elucidated by 1D and 2D nuclear magnetic resonance analyses including heteronuclear single quantum correlation, heteronuclear multiple-bond correlation, correlation spectroscopy, and nuclear Overhauser effect spectroscopy experiments. All of the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra. Compounds 11 and 12 exhibited promising inhibitory activity with IC50 values of 0.89 {\textpm} 0.33 {\textmu}g/mL (MIC 2.06 {\textpm} 0.41 {\textmu}g/mL) and 7.59 {\textpm} 0.42 {\textmu}g/mL (MIC 11.56 {\textpm} 0.35 {\textmu}g/mL), respectively.

}, doi = {10.1055/s-0035-1557793}, author = {Bhardwaj, Rima and Chinchansure, Ashish A. and Kulkarni, Roshan R. and Arkile, Manisha A. and Sarkar, Dhiman and Joshi, Swati P.} } @article {45936, title = {Seeded on-surface supramolecular growth for large area conductive donor-acceptor assembly}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {MAY}, pages = {10439-10442}, type = {Article}, abstract = {

Charge transport features of organic semiconductor assemblies are of paramount importance. However, large-area extended supramolecular structures of donor-acceptor combinations with controlled self-assembly pathways are hardly accessible. In this context, as a representative example, seeded on-surface supramolecular growth of tetrathiafulvalene and tetracyano-p-quinodimethane (TTF-TCNQ) using active termini of solution-formed sheaves has been introduced to form an extended assembly. We demonstrate for the first time, the creation of a large-area donor-acceptor assembly on the surface, which is practically very tedious, using a seeded, evaporation-assisted growth process. The excellent molecular ordering in this assembly is substantiated by its good electrical conductivity (similar to 10(-2) S cm(-1)). The on-surface assembly via both internally formed and externally added sheaf-like seeds open new pathways in supramolecular chemistry and device applications.

}, issn = {1359-7345}, doi = {10.1039/c5cc03091a}, author = {Goudappagouda and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam and Gosavi, Suresh W. and Babu, Sukumaran Santhosh} } @article { ISI:000355317200045, title = {Selective inhibition of miR-21 by phage display screened peptide}, journal = {Nucleic Acids Research}, volume = {43}, number = {8}, year = {2015}, month = {APR}, pages = {4342-4352}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

miRNAs are nodal regulators of gene expression and deregulation of miRNAs is causally associated with different diseases, including cancer. Modulation of miRNA expression is thus of therapeutic importance. Small molecules are currently being explored for their potential to downregulate miRNAs. Peptides have shown to have better potency and selectivity toward their targets but their potential in targeting and modulating miRNAs remain unexplored. Herein, using phage display we found a very selective peptide against pre-miR-21. Interestingly, the peptide has the potential to downregulate miR-21, by binding to pre-miR-21 and hindering Dicer processing. It is selective towards miR-21 inside the cell. By antagonising miR-21 function, the peptide is able to increase the expression of its target proteins and thereby increase apoptosis and suppress cell proliferation, invasion and migration. This peptide can further be explored for its anti-cancer activity in vivo and may be even extended to clinical studies.

}, issn = {0305-1048}, doi = {10.1093/nar/gkv185}, author = {Bose, Debojit and Nahar, Smita and Rai, Manish Kumar and Ray, Arjun and Chakraborty, Kausik and Maiti, Souvik} } @article { ISI:000352905700046, title = {Selective interfacial synthesis of metal-organic frameworks on a polybenzimidazole hollow fiber membrane for gas separation}, journal = {Nanoscale}, volume = {7}, number = {16}, year = {2015}, month = {MAR}, pages = {7291-7298}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Metal-organic frameworks (MOFs) have gained immense attention as new age materials due to their tuneable properties and diverse applicability. However, efforts on developing promising materials for membrane based gas separation, and control over the crystal growth positions on polymeric hollow fiber membranes still remain key challenges. In this investigation, a new, convenient and scalable room temperature interfacial method for growing MOFs (ZIF-8 and CuBTC) on either the outer or inner side of a polybenzimidazole based hollow fiber (PBI-BuI-HF) membrane surface has been achieved in a controlled manner. This was made possible by the appropriate selection of an immiscible solvent pair and the synthetic conditions. The growth of MOFs on the PBI-BuI-HF membrane by the interfacial method was continuous and showed an appreciable gas separation performance, conveying promise for their applicability.

}, issn = {2040-3364}, doi = {10.1039/c5nr00299k}, author = {Biswal, Bishnu P. and Bhaskar, Anand and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000352448800019, title = {Self-assembled vertically aligned gold nanorod super-lattices for ultra-high sensitive detection of molecules}, journal = {Nano Research}, volume = {8}, number = {3}, year = {2015}, month = {MAR}, pages = {907-919}, publisher = {TSINGHUA UNIV PRESS}, address = {TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA}, abstract = {

We show that self-assembled vertically aligned gold nanorod (VA-GNRs) superlattices can serve as probes or substrates for ultra-high sensitive detection of various molecules. D-glucose and 2,4,6-trinitrotoluene (TNT) have been chosen as model systems due to their very low Raman cross-sections (5.6 x 10(-30) cm(2).molecule(-1).sr(-1) for D-glucose and 4.9 x 10(-31) cm(2). molecule(-1).sr(-1) for TNT) to show that the VA-GNR superlattice assembly offers as low as yoctomole sensitivity. Our experiment on mixed samples of bovine serum albumin (BSA) and D-glucose solutions demonstrate sensitivity for the latter, and the possible extension to real samples. Self-assembled superlattices of VA-GNRs were achieved on a silicon wafer by depositing a drop of solvent containing the GNRs and subsequent solvent evaporation in ambient conditions. An additional advantage of the VA-GNR monolayers is their extremely high reproducible morphology accompanied by ultrahigh sensitivity which will be useful in many fields where a very small amount of analyte is available. Moreover the assembly can be reused a number of times after removing the already present molecules. The method of obtaining VA-GNRs is simple, inexpensive and reproducible. With the help of simulations of monolayers and multilayers it has been shown that superlattices can achieve better sensitivity than monolayer assembly of VA-GNRs.

}, keywords = {Nanostructures, Raman spectroscopy, self-assemblies, sensors, superlattices}, issn = {1998-0124}, doi = {10.1007/s12274-014-0572-2}, author = {Apte, Amey and Bhaskar, Prashant and Das, Raja and Chaturvedi, Smita and Poddar, Pankaj and Kulkarni, Sulabha} } @article { ISI:000359444500009, title = {Self-similar rupture of thin free films of power-law fluids}, journal = {Physical Review E}, volume = {92}, number = {2}, year = {2015}, month = {AUG}, pages = {023014}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

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

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.92.023014}, author = {Thete, Sumeet Suresh and Anthony, Christopher and Basaran, Osman A. and Doshi, Pankaj} } @article { ISI:000353702500026, title = {Self-templated chemically stable hollow spherical covalent organic framework}, journal = {Nature Communications}, volume = {6}, year = {2015}, month = {APR}, pages = {6786}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Covalent organic frameworks are a family of crystalline porous materials with promising applications. Although active research on the design and synthesis of covalent organic frameworks has been ongoing for almost a decade, the mechanisms of formation of covalent organic frameworks crystallites remain poorly understood. Here we report the synthesis of a hollow spherical covalent organic framework with mesoporous walls in a single-step template-free method. A detailed time-dependent study of hollow sphere formation reveals that an inside-out Ostwald ripening process is responsible for the hollow sphere formation. The synthesized covalent organic framework hollow spheres are highly porous (surface area similar to 1,500m(2) g(-1)), crystalline and chemically stable, due to the presence of strong intramolecular hydrogen bonding. These mesoporous hollow sphere covalent organic frameworks are used for a trypsin immobilization study, which shows an uptake of 15.5 mu mol g(-1) of trypsin.

}, issn = {2041-1723}, doi = {10.1038/ncomms7786}, author = {Kandambeth, Sharath and Venkatesh, V. and Shinde, Digambar B. and Kumari, Sushma and Halder, Arjun and Verma, Sandeep and Banerjee, Rahul} } @article { ISI:000353931300023, title = {Shape-selective oriented cerium oxide nanocrystals permit assessment of the effect of the exposed facets on catalytic activity and oxygen storage capacity}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {16}, year = {2015}, month = {APR}, pages = {8545-8555}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The catalytic performance of a range of nanocrystalline CeO2 samples, prepared to have different morphologies, was measured using two accepted indicators; oxygen storage and diesel soot combustion. The same powders were characterized hi detail by HR-TEM, XRD, XPS, and Raman methods. The study demonstrates that activity is determined by the relative fraction of the active crystallographic planes, not by the specific surface area of the powders. The physical study is a step toward quantitative evaluation of the relative contribution to activity of the different facets. The synthetic protocol permits fabrication of CeO2 nanostructures with preferentially grown active planes, and therefore has potential in developing catalytic applications and in nanocompositing.

}, keywords = {ceria, chemical activities, crystal facets, nanocrystals, texture coefficient}, issn = {1944-8244}, doi = {10.1021/acsami.5b00298}, author = {Sreeremya, Thadathil S. and Krishnan, Asha and Remani, Kottayilpadi C. and Patil, Kashinath R. and Brougham, Dermot F. and Ghosh, Swapankumar} } @article { ISI:000350221600066, title = {Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts}, journal = {RSC Advances}, volume = {5}, number = {27}, year = {2015}, month = {FEB}, pages = {21125-21131}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Uniformly sized silica microspheres were synthesized by a hydrolysis-condensation method. The obtained material was etched with a mild aqueous potassium hydroxide solution for different periods of time to break their Si-O-Si bonds and increases the density of hydroxyl groups on their surfaces. The resulting materials were then used as transition metal-free catalysts for oxidation of olefins in the presence of hydrogen peroxide as a green oxidant. The materials were thoroughly characterized using various physicochemical techniques. These highly populated hydroxyl groups on the surface of silica microspheres were proven to be responsible for excellent conversion (up to 93\%) and epoxide selectivity (up to 100\%) for various olefins. Quantum mechanical calculations also corroborate the experimental findings. Furthermore, both experimental and theoretical studies show that tertiary silanols were present at the active sites of the catalyst surface and were responsible for olefin epoxidation.

}, issn = {2046-2069}, doi = {10.1039/c5ra00374a}, author = {Chandra, Prakash and Doke, Dhananjay S. and Shubhangi B. Umbarkar and Vanka, Kumar and Biradar, Ankush V.} } @article { ISI:000349384300005, title = {Single crystal-to-single crystal site-selective postsynthetic metal exchange in a Zn-MOF based on semi-rigid tricarboxylic acid and access to bimetallic MOFs}, journal = {Chemistry-A European Journal}, volume = {21}, number = {7}, year = {2015}, month = {FEB}, pages = {2759-2765}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The metal ions in a neutral Zn-MOF constructed from tritopic triacid H3L with inherent concave features, rigid core, and peripheral flexibility are found to exist in two distinct SBUs, that is, 0D and 1D. This has allowed site-selective postsynthetic metal exchange (PSME) to be investigated and reactivities of the metal ions in two different environments in coordination polymers to be contrasted for the first time. Site-selective transmetalation of Zn ions in the discrete environment is shown to occur in a single crystal-to-single crystal (SCSC) fashion, with metal ions such as Fe3+, Ru3+, Cu2+, Co2+, etc., whereas those that are part of 1D SBU sustain structural integrity, leading to novel bimetallic MOFs, which are inaccessible by conventional approaches. To the best of our knowledge, site-selective postsynthetic exchange of an intraframework metal ion in a MOF that contains metal ions in discrete as well as polymeric SBUs is heretofore unprecedented.

}, keywords = {coordination polymers, metal-exchange, metal-organic frameworks, Metathesis, X-ray crystallography}, issn = {0947-6539}, doi = {10.1002/chem.201406098}, author = {Bajpai, Alankriti and Chandrasekhar, Pujari and Govardhan, Savitha and Banerjee, Rahul and Moorthy, Jarugu Narasimha} } @article { ISI:000351061700025, title = {Situ preparation of N-TiO2/graphene nanocomposite and its enhanced photocatalytic hydrogen production by H2S splitting under solar light}, journal = {Nanoscale}, volume = {7}, number = {11}, year = {2015}, month = {FEB}, pages = {5023-5034}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly monodispersed nitrogen doped TiO2 nanoparticles were successfully deposited on graphene (N-TiO2/Gr) by a facile in-situ wet chemical method for the first time. N-TiO2/Gr has been further used for photocatalytic hydrogen production using a naturally occurring abundant source of energy i.e. solar light. The N-TiO2/Gr nanocomposite composition was optimized by varying the concentrations of dopant nitrogen and graphene (using various concentrations of graphene) for utmost hydrogen production. The structural, optical and morphological aspects of nanocomposites were studied using XRD, UV-DRS, Raman, XPS, FESEM, and TEM. The structural study of the nanocomposite shows existence of anatase N-TiO2. Further, the details of the components present in the composition were confirmed with Raman and XPS. The morphological study shows that very tiny, 7-10 nm sized, N-TiO2 nanoparticles are deposited on the graphene sheet. The optical study reveals a drastic change in absorption edge and consequent total absorption due to nitrogen doping and presence of graphene. Considering the extended absorption edge to the visible region, these nanocomposites were further used as a photocatalyst to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-TiO2/Gr nanocomposite with 2\% graphene exhibits enhanced photocatalytic stable hydrogen production i.e. similar to 5941 mu mol h(-1) under solar light irradiation using just 0.2 gm nanocomposite, which is much higher as compared to P25, undoped TiO2 and TiO2/Gr nanocomposite. The enhancement in the photocatalytic activity is attributed to {\textquoteleft}N{\textquoteright} doping as well as high specific surface area and charge carrier ability of graphene. The recycling of the photocatalyst shows a good stability of the nanocomposites. This work may provide new insights to design other semiconductor deposited graphene novel nanocomposites as a visible light active photocatalyst.

}, issn = {2040-3364}, doi = {10.1039/c4nr06435f}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram D. and Waichal, Rupali P. and Ambekar, Jalindar D. and Park, Chan-J. and Kale, Bharat B.} } @article { ISI:000359459900017, title = {Situ preparation of N-ZnO/graphene nanocomposites: excellent candidate as a photocatalyst for enhanced solar hydrogen generation and high performance supercapacitor electrode}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {33}, year = {2015}, month = {JUL}, pages = {17050-17063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have demonstrated a facile in situ wet chemical method to synthesize nanostructured nitrogen doped ZnO/Graphene (N-ZnO/GR) nanocomposites for the first time. Nitrogen doped ZnO over graphene (N-ZnO/GR) was studied using various concentrations of graphene. During the synthesis of N-ZnO/GR nanocomposites, in situ formation of graphene via GO reduction and formation of 4-9 nm N-ZnO have been demonstrated. The composite N-ZnO/GR absorbs in the visible region and this property is used for the photocatalytic reaction to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-ZnO/GR nanocomposite with 0.3\% graphene exhibits an enhanced photocatalytic stable hydrogen production rate i.e. similar to 5072 mu mol h(-1) under visible light irradiation. It is noteworthy that the N-ZnO/GR electrode exhibits a high specific capacitance of 555 F g(-1) and excellent cyclic performance with nearly 96.20\% capacity retention after 2000 cycles at a current density of 10 A g(-1). These results indicate great potential applications of N-ZnO/GR in developing high hydrogen production and supercapacitors with high energy and power densities.

}, issn = {2050-7488}, doi = {10.1039/c5ta03955j}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram and Waichal, Rupali and Park, Chan-Jin and Kale, Bharat} } @article { ISI:000348147100072, title = {Solid state organic amine detection in a photochromic porous metal organic framework}, journal = {Chemical Science}, volume = {6}, number = {2}, year = {2015}, month = {DEC}, pages = {1420-1425}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Mg(II) based photochromic porous metal-organic framework (MOF) has been synthesized bearing naphthalenediimide (NDI) chromophoric unit. This MOF (Mg-NDI) shows instant and reversible solvatochromic behavior in presence of solvents with different polarity. Mg-NDI also exhibits fast and reversible photochromism via radical formation. Due to the presence of electron deficient NDI moiety, this MOF exhibits selective organic amine (electron rich) sensing in solid state. The organic amine detection has been confirmed by photoluminescence quenching experiment and visual color change.

}, issn = {2041-6520}, doi = {10.1039/c4sc03224a}, author = {Mallick, Arijit and Garai, Bikash and Addicoat, Matthew A. and Petkov, Petko St. and Heine, Thomas and Banerjee, Rahul} } @article {43027, title = {Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {DEC}, abstract = {

A new series of spirochromone annulated chalcone conjugates were synthesized and evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain. These compounds were subjected to molecular modeling studies using docking and chemoinformatics based approaches. The docking simulations were performed against a range of known receptors for chalcone derived compounds to reveal MTB phosphotyrosine phosphatase B [MtbPtpB] protein as the most probable target based on the high binding affinity scores. Five compounds exhibit significant inhibition, showing minimum inhibitory concentration values i.e. MIC values ranging from 3.13{\textendash}12.5 μg mL-1. Further analysis of the synthesized compounds with known and in-house developed chemoinformatics tools unequivocally established their potential as anti-tubercular compounds. QSAR modeling revealed a quantitative relationship between biological activities and frontier molecular orbital energies of synthesized compounds. The predictive model can be employed further for virtual screening of new compounds in this series.

}, doi = {10.1039/C5RA21737G}, author = {Mujahid, Mohammad and Perumal, Yogeeswari and Sriram, D. and Basavanag, U. M. V. and D{\i}az-Cervantes, Erik and Cordoba-Bahena, Luis and Robles, Juvencio and Gonnade, Rajesh Ghanshyam and Karthikeyan, Muthukumarasamy and Vyas, Renu and Krishnan, M. Muthu} } @article { ISI:000350573400013, title = {Starch (Tapioca) to carbon dots: an efficient green approach to an on-off-on photoluminescence probe for fluoride ion sensing}, journal = {Analyst}, volume = {140}, number = {6}, year = {2015}, month = {FEB}, pages = {1837-1841}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Photoluminescent carbon dots of 4-5 nm size were prepared from starch (Tapioca Sago) through a solution method under mild conditions. The as-prepared carbon dots were used as photoluminescence probes for highly anion selective fluoride ion detection in aqueous solutions. A ready-to-use device is also demonstrated.

}, issn = {0003-2654}, doi = {10.1039/c4an02340d}, author = {Basu, Aniruddha and Suryawanshi, Anil and Kumawat, Begraj and Dandia, Anshu and Guin, Debanjan and Ogale, Satishchandra B.} } @article { ISI:000345901600049, title = {Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {425-435}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthetic access to low-coordinate Pb mono- and dications is in general impeded due to their poor solubility and highly electrophilic nature. However, the electrophilicity of these cations can be tamed by attaching them to electron-rich transition metals. Following this principle we have isolated low-valent Pb mono- ([(Cy3P)(2)Pt-PbCl](2)[AlCl4](2), 8a) and dications ([(Cy3P)(2)Pt(Pb)][AlCl4](2), 11) in the coordination sphere of platinum. The same approach then has been implemented for the isolation of analogous low-valent Sn mono- (7a) and dications (10). An energy decomposition analysis (EDA-NOCV) was performed to investigate the nature of Pt-Pb and Pb-Cl bonding in [(Cy3P)(2)Pt(PbCl2)] (2), 8a and 11. The results show that the Pt-Pb bonds in 8a and 11 are electron-sharing in nature, whereas that of the precursor 2 is a dative bond. The breakdown of attractive interactions in 2, 8a and 11 reveals that the ionic interactions in the analyzed Pt-Pb and Pb-Cl bonds are always stronger than the covalent interactions, except for the Pb-Cl bond in 8a. The calculated D3 dispersion energies show that dispersion interactions play a key role in the thermodynamic stability of 2, 8a and 11.

}, issn = {2041-6520}, doi = {10.1039/c4sc02948h}, author = {Braunschweig, Holger and Celik, Mehmet Ali and Dewhurst, Rian D. and Heid, Magdalena and Hupp, Florian and Sen, Sakya S.} } @article { ISI:000363727100011, title = {Structure mediation in substrate binding and post-translational processing of penicillin acylases: Information from mutant structures of Kluyvera citrophila penicillin G acylase}, journal = {Protein Science}, volume = {24}, number = {10}, year = {2015}, month = {OCT}, pages = {1660-1670}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Penicillin acylases are industrially important enzymes for the production of 6-APA, which is used extensively in the synthesis of secondary antibiotics. The enzyme translates into an inactive single chain precursor that subsequently gets processed by the removal of a spacer peptide connecting the chains of the mature active heterodimer. We have cloned the penicillin G acylase from Kluyvera citrophila (KcPGA) and prepared two mutants by site-directed mutagenesis. Replacement of N-terminal serine of the beta-subunit with cysteine (Ser beta 1Cys) resulted in a fully processed but inactive enzyme. The second mutant in which this serine is replaced by glycine (Ser beta 1Gly) remained in the unprocessed and inactive form. The crystals of both mutants belonged to space group P1 with four molecules in the asymmetric unit. The three-dimensional structures of these mutants were refined at resolutions 2.8 and 2.5 angstrom, respectively. Comparison of these structures with similar structures of Escherichia coli PGA (EcPGA) revealed various conformational changes that lead to autocatalytic processing and consequent removal of the spacer peptide. The large displacements of residues such as Arg168 and Arg477 toward the N-terminal cleavage site of the spacer peptide or the conformational changes of Arg145 and Phe146 near the active site in these structures suggested probable steps in the processing dynamics. A comparison between the structures of the processed Serb1Cys mutant and that of the processed form of EcPGA showed conformational differences in residues Arg alpha 145, Phe alpha 146, and Phe beta 24 at the substrate binding pocket. Three conformational transitions of Arg alpha 145 and Phe alpha 146 residues were seen when processed and unprocessed forms of KcPGA were compared with the substrate bound structure of EcPGA. Structure mediation in activity difference between KcPGA and EcPGA toward acyl homoserine lactone (AHL) is elucidated.

}, keywords = {acyl homoserine lactone, autocatalytic processing, conformational changes, KcPGA_Ser beta 1Cys, KcPGA_Ser beta 1Gly, Ntn hydrolase}, issn = {0961-8368}, doi = {10.1002/pro.2761}, author = {Chand, Deepak and Varshney, NishantKumar and Ramasamy, Sureshkumar and Panigrahi, Priyabrata and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article { ISI:000360934800004, title = {Study of applications of machine learning based classification methods for virtual screening of lead molecules}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {AUG}, pages = {658-672}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

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

}, keywords = {Anti-anginal, anti-arrythmic, anti-bacterial, anti-convulsant, anti-depressant anti-diabetic, binary QSAR, chemophore, machine learning, pharmacophore, toxicophore}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112447}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Tambe, Sanjeev S. and Karthikeyan, Muthukumarasamy and Kulkarni, Bhaskar D.} } @conference { ISI:000354845400033, title = {Study of molecular vibration by coupled cluster method: bosonic approach}, booktitle = {Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)}, series = {AIP Conference Proceedings}, volume = {1642}, year = {2015}, note = {International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Kos, GREECE, OCT 03-08, 2010}, month = {FEB}, pages = {227-230}, publisher = {European Soc Computat Methods Sci, Engn \& Technol}, organization = {European Soc Computat Methods Sci, Engn \& Technol}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

The vibrational coupled cluster method in bosonic representation is formulated to describe the molecular anharmonic vibrational spectra. The vibrational coupled cluster formalism is based on Watson Hamiltonian in normal coordinates. The vibrational excited states are described using coupled cluster linear response theory (CCLRT). The quality of the coupled cluster wave function is analyzed. Specifically, the mean displacement values of the normal coordinates and expectation values of the square of the normal coordinates of different vibrational states are calculated. A good agreement between the converged full CI results and coupled cluster results is found for the lower lying vibrational states.

}, keywords = {CCLRT, Expectation values, Watson Hamiltonian}, isbn = {978-0-7354-1282-8}, issn = {0094-243X}, doi = {10.1063/1.4906658}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga}, editor = {Simos, TE and Maroulis, G} } @article { ISI:000365602800014, title = {Study on fused/cast AZS refractories for deployment in vitrification of radioactive waste effluents}, journal = {Journal of Nuclear Materials}, volume = {467}, number = {1}, year = {2015}, month = {DEC}, pages = {144-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Fused/cast Al2O3-ZrO2-SiO2 (FC-AZS){\textquoteright} is being considered as {\textquoteleft}glass contact refractory{\textquoteright} within ceramic melters, to be used for nuclear waste immobilization. Microstructural analyses reveal random distributions of baddeleyite (ZrO2) within aluminosilicate (Al2SiO5) matrix. Al-27 and Si-29 NMR data suggest that within aluminosilicate matrix Al occurs in both 4- and 6-fold co-ordinations whereas Si prefers a 4-fold environment. Polydispersity of pores has been studied with small-angle neutron scattering (SANS) technique. Corrosion rates of FC-AZS within 6 M HNO3, simulated wastes (500 h exposure), and borosilicate melt (975 degrees C, 800 h exposure) are found to be 0.38 x 10(3) mu my(-1), 0.13 x 10(3) mu my(-1) and 4.75 x 10(3) mu my(-1) respectively. A comparison of chemical interaction data clearly suggests that FC-AZS exhibits better chemical durability than AZC refractory (Al2O3-ZrO2-Cr2O3, also used for similar purpose). Thermal cycling studies indicate that FC-AZS retains structural integrity (including compressive strength and density) even up to 20 cycles. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Interaction between refractory material and hazardous liquid, Nuclear waste immobilization, Vitrification melter}, issn = {0022-3115}, doi = {10.1016/j.jnucmat.2015.09.019}, author = {Sengupta, Pranesh and Mishra, Raman K. and Soudamini, N. and Sen, D. and Mazumder, S. and Kaushik, Chetan P. and Ajithkumar, Thalasseril G. and Banerjee, K.} } @article { ISI:000349667700031, title = {Surface-modified single wall carbon nanohorn as an effective electrocatalyst for platinum-free fuel cell cathodes}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {8}, year = {2015}, month = {JAN}, pages = {4361-4367}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Platinum (Pt) and its alloys are routinely used in the cathodes of polymer electrolyte membrane fuel cells (PEMFCs) due to their high electrocatalytic activity in oxygen reduction reactions (ORRs). A variety of alternative materials have been examined as alternatives to Pt, but most of these had low activity and their performance deteriorated even further in use. In the present study an alternate electrocatalyst has been examined, obtained by a simple surface modification of single-walled carbon nanohorns by simultaneous doping with Fe and N at 900 degrees C (FeNCNH-900). This had an ORR activity superior to that of 40 wt\% Pt on carbon (Pt/C). Compared to Pt/C, FeNCNH-900 gave a 30 mV improvement in onset potential and a 20 mV gain in half-wave potential in an ORR. Its high activity is the result of the simultaneous modulation achieved by the high surface area and the microporosity of carbon nanohorns, together with the establishment of the desired nitrogen-iron coordinated pyrrolic active centres. The catalyst showed excellent electrochemical stability and, most notably, its ORR activity was still increasing after 1000 cycles. Single-cell fuel cell performance using FeNCNH-900 as cathode catalyst showed a maximum power density of 35 mW cm(-2) under alkaline conditions.

}, issn = {2050-7488}, doi = {10.1039/c4ta05092d}, author = {Unni, SreeKuttan M. and Ramadas, Sarath and Illathvalappil, Rajith and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {43034, title = {Swarm and swim motilities of salmonella enterica serovar typhimurium and role of osmoregulated periplasmic glucans}, journal = {Microbiol Discov}, volume = {3}, year = {2015}, month = {JAN}, pages = {3-6}, doi = {10.7243/2052-6180-3-3}, author = {Dharne, Mahesh S. and Kannan, Porteen and Murphy, Charles and Smith, Allen and Bhagwat, Arvind A.} } @article { ISI:000354910500021, title = {Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials}, journal = {Journal of the American Chemical Society}, volume = {137}, number = {18}, year = {2015}, month = {MAY}, pages = {5955-5960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Open-shell phenalenyl chemistry started more than half a century back, and the first solid-state phenalenyl radical was realized only 15 years ago highlighting the synthetic challenges associated in stabilizing carbon-based radical chemistry, though it has great promise as building blocks for molecular electronics and multifunctional materials. Alternatively; stable closed-shell phenalenyl has tremendous potential as it can be utilized, to create an in situ open-shell state by external spin injection. In the present study, we have designed a closed-shell phenalenyl-based iron(III) complex, Fe-III(PLY)(3) (PLY-H = 9-hydroxyphenalenone) displaying an excellent electrocatalytic property as cathode material for one compartment membraneless H2O2 fuel cell. The power density output Of Fe-III(PLY)(3) is nearly 15-fold higher than the structurally related model compound Fe-III(acac)(3) (acac = acetylacetonate) and nearly 140-fold higher than an earlier reported mononuclear Fe(III) complex; Fe-III(Pc)Cl (Pc = pthalocyaninate), highlighting the role of switchable closed-shell phenalenyl moiety for electron-transfer process in designing electroactive materials.

}, issn = {0002-7863}, doi = {10.1021/jacs.5b00272}, author = {Pariyar, Anand and Vijaykumar, Gonela and Bhunia, Mrinal and Dey, Suman Kr. and Singh, Santosh K. and Kurungot, Sreekumar and Mandal, Swadhin K.} } @article { ISI:000351833100018, title = {Synergistic effects and correlating polarity parameters in binary mixtures of ionic liquids}, journal = {Chemphyschem}, volume = {16}, number = {5}, year = {2015}, month = {APR}, pages = {1026-1034}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Understanding how a chemical reaction proceeds in solution requires precise knowledge of solute-solvent interactions. Certain issues involved in ionic liquid binary mixtures are still not clearly understood, including: 1) the effects of hydrogen-bond-acceptor basicity () of solvents on the synergistic effects found in ionic liquid-alcohol mixtures, 2) the interrelation between the polarity parameters in binary mixtures, and 3) the application of a model for the description of normalised electronic transition energy for all the binary mixtures. Here, a detailed analysis of polarity parameters in both hydrophilic and hydrophobic ionic liquids has been carried out. A three-parameter model developed by Roses et al. [J. Chem. Soc. Perkin Trans. 2 1997, 13411348] was found to be applicable to all the binary mixtures, and synergistic effects are generated as a result of high values of alcohols compared with those of the ionic liquids. A strong correlation was observed in the values and hydrophobicities of pure ionic liquids, suggesting that values can play a role in describing synergism.

}, keywords = {green chemistry, ionic liquids, liquids, noncovalent interactions, solvent effects}, issn = {1439-4235}, doi = {10.1002/cphc.201402825}, author = {Beniwal, Vijay and Kumar, Anil} } @article { ISI: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 {45939, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents}, journal = {MedChemComm}, volume = {6}, year = {2015}, month = {AUG}, pages = {2209-2215}, type = {Article}, abstract = {

A number of thieno[2,3-d]pyrimidin-4(3H)-ones were designed, synthesized and screened against Mycobacteria as a part of our program to develop new antitubercular agents. It was observed that some of the compounds have significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743). The active compounds were studied for cytotoxicity against four cell lines and were found to be non-cytotoxic. The results showed that compounds 13b and 29e were found to exhibit very good antimycobacterial activity (MIC in the range of 6-8 mu M) and the thienopyrimidinones as a class have potential to be developed as antitubercular agents.

}, issn = {2040-2503}, doi = {10.1039/c5md00404g}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000365710500009, title = {Synthesis, antioxidant, anti-inflammatory, and antimicrobial screening of newer thiophene-fused arylpyrazolyl 1,3,4-oxadiazoles}, journal = {Phosphorus Sulfur and Silicon and the Related Elements}, volume = {190}, number = {11}, year = {2015}, month = {NOV}, pages = {1803-1813}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A series of newer 1,3,4-oxadiazole derivatives 3a-h, 5a-h containing a thiophene fused with pyrazole moiety of pharmacological significance have been synthesized. The compounds were characterized by H-1 NMR, IR, and mass spectral techniques. The compounds were screened for their in vitro antioxidant, anti-inflammatory and antimicrobial activities. Among them, Compounds 3b (EC50-14.98) and 3f (EC50-12.21) showed significant antioxidant activity. Compound 3a (EC50-15.23) showed good anti-inflammatory activity. Compound 3d was found as the most active derivative against bacterial and fungal strains.

}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Antimicrobial, Antioxidant, EC50, Thiophene-fused pyrazole}, issn = {1042-6507}, doi = {10.1080/10426507.2015.1024784}, author = {Mahajan, Pravin S. and Nikam, Mukesh and Chate, Asha and Nimbalkar, Urja and Patil, Vrushali and Bobade, Anil and Chaudhari, Abhay and Deolankar, Dattatray and Javale, Balasaheb and Gill, Charansingh H.} } @article {45927, title = {Synthesis, characterization of thiolated karaya gum and evaluation of effect of pH on its mucoadhesive and sustained release properties}, journal = {Carbohydrate Polymers}, volume = {130}, year = {2015}, month = {OCT }, pages = {183-190}, type = {Article}, abstract = {

Present study aims at synthesis and characterization of thiolated gum karaya by reacting karaya gum with 80\% thioglycolic acid resulting in esterification and immobilization of thiol groups on polymeric backbone. Immobilized thiol groups were found to be 5.026 mM/g determined by Ellman{\textquoteright}s method. It was characterized by FTIR, DSC and XRD. Directly compressible tablets prepared using thiolated gum displayed more disintegration time, swelling and mucoadhesion with increase in pH of medium simulating gastric and intestinal environment than plain gum. Controlled drug release for more than 24h by Fickian diffusion following Korsemeyer-Peppas model was observed with Metoprolol Succinate as a model drug as compared to plain gum which released more than 90\% of the drug within 2 h. Synthesized thiomer showed no cytotoxicity determined using HepG2 cell line. According to these results, thiolated gum karaya seems to be promising excipient for the development of mucoadhesive drug delivery systems. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2015.04.064}, author = {Bahulkar, Swati S. and Munot, Neha M. and Surwase, Sachin S.} } @article { ISI:000366209800015, title = {Synthesis of 3-Thia-1-dethiacephems via Regioselective Iodocyclization Reaction}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {24}, year = {2015}, month = {DEC}, pages = {3956-3962}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The key N-homopropargylthiourea intermediates, N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides, were prepared by the reaction of a 4-propargylazetidin-2-one with isothiocyanates. Bicyclic -lactams, i.e. 3-thia-1-dethiacephems, were prepared via highly regioselective iodocyclization reaction of N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides with molecular iodine at room temperature in moderate to excellent yields. A variety of functional groups were well tolerated under the reaction conditions.

}, keywords = {-lactams, 3-thia-1-dethiacephems, Iodocyclization, Regioselective, thiourea}, issn = {0039-7881}, doi = {10.1055/s-0035-1560350}, author = {Garud, Dinesh R. and Rode, Navnath D. and Bathe, Sagar R. and Ranpise, Vinod S. and Joshi, Ramesh A. and Joshi, Rohini R. and Koketsu, Mamoru} } @article { ISI:000364435000072, title = {Synthesis of N-aryl beta-amino alcohols by trifluoroacetic acid promoted multicomponent coupling of aziridines, arynes, and water}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {21}, year = {2015}, month = {NOV}, pages = {11131-11137}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A transition-metal-free, three-component coupling involving N-substituted aziridines, arynes, and water promoted by trifluoroacetic acid (TFA) has been reported. The reaction furnished medicinally important N-aryl beta-amino alcohol derivatives in moderate to good yields. In addition, the use of azetidines in this reaction afforded N-aryl gamma-amino alcohol derivatives.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01798}, author = {Roy, Tony and Baviskar, Dnyaneshwar R. and Biju, Akkattu T.} } @article { ISI:000355036400034, title = {Synthesis of naturally occurring (+)-osmundalactone and 4-epi-(+)-osmundalactone from triacetyl-O-D-glucal}, journal = {Tetrahedron Letters}, volume = {56}, number = {21}, year = {2015}, month = {MAY}, pages = {2783-2786}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient total synthesis of (+)-osmundalactone 1 has been achieved starting from readily available triacetyl-O-D-glucal 6 employing Ferrier rearrangement and Jones oxidation as key steps. Also, synthesis of 4-epi-(+)-osmundalactone 2 was accomplished from the common key intermediate 9. The absolute stereochemistry of (+)-osmundalactone 1 and a precursor of 4-epi-(+)-osmundalactone 2 have been established by single crystal X-ray analysis. The overall yield of compound 1 and 2 from triacetyl-O-D-glucal 6 is 13\% and 8\%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Bioactive molecules, carbohydrates, D-glucal, Ferrier rearrangement, Pyrones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.038}, author = {Kotammagari, Tharun K. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {45942, title = {Synthesis of non-toxic triethyl citrate plasticizer by esterification of renewable citric acid using modified zeolite}, journal = {Clean-Soil Air Water}, volume = {43}, year = {2015}, month = {JUN}, pages = {927-931}, type = {Article}, abstract = {

Triethyl citrate (TEC), a non-toxic plasticizer, was synthesized by esterification of renewable citric acid (CA, from entire waste of oranges) with ethanol over modified H-ZSM-5 (HZ-5) zeolite. Different micro-meso composites (M-HZ-5) with varying crystallinities were prepared by alkaline treatment of HZ-5. M-HZ-5(0.6) (87\% crystallinity) was observed to be a potential and environmentally benign catalyst with 96\% CA conversion, 64\% TEC selectivity (61.44\% TEC yield), and a reusability of six cycles. The probable catalytic mechanism of esterification was also proposed.

}, keywords = {Biowaste, Catalysts, green chemistry, Micro-mesopre composites, reusability}, issn = {1863-0650}, doi = {10.1002/clen.201400189}, author = {Nandiwale, Kakasaheb Y. and Borikar, Sanjay P. and Bokade, Vijay V.} } @article { ISI:000350219700005, title = {Synthesis of yangjinhualine A}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {4}, year = {2015}, month = {FEB}, pages = {485-488}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Selective reduction of 3-(4-hydroxyphenyl)-2-methylmaleic anhydride provides access the corresponding gamma-hydroxybutenolide natural product yangjinhualine A.

}, keywords = {anhydrides, lactones, Natural products, reduction, Regioselectivity}, issn = {0039-7881}, doi = {10.1055/s-0034-1379582}, author = {Deore, Prashant S. and Batwal, Ramesh U. and N. P. Argade} } @article { ISI:000358337700009, title = {Synthesis, optoelectronic, and transistor properties of BODIPY- and cyclopenta[c]thiophene-containing pi-conjugated copolymers}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {28}, year = {2015}, month = {JUL}, pages = {15859-15867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Three new low-band-gap copolymers were synthesized by fusing dipyrromethene difluoroborane (BODIPY) as the acceptor (A) and thiophene-capped 5,5-bis(hexyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]-thiophene (CPT) as the donor (D). The BODIPY unit was copolymerized through the {\textquoteleft}alpha{\textquoteright} positions (1 and 7 positions) in P1 and through the {\textquoteleft}beta{\textquoteright} positions (2 and 6 positions) in P2 and P3. The additional acetylene unit between D and A in P3 enhanced the conjugation by minimizing the possible steric hindrance compared to that in P2, whereas P1 exhibited a more red-shifted absorption than P2 and P3 because of the more effective conjugaion through the {\textquoteleft}alpha{\textquoteright} positions of BODIPY. Importantly, the optical band gaps (E-g(opt)) obtained from the onset of the absorption spectra are 1.28, 1.71, and 1.57 eV for P1, P2, and P3, respectively. P1 has the lowest band gap for any CPT-containing polymer. In the best transistor devices, a mobility improvement by 4 orders of magnitude from 3.22 x 10(-6) cm(2) V-1 s(-1) for P2 to 0.01 cm(2) V-1 s(-1) for P1 was achieved. DFT calculations alongside measured charge-transport properties indicated that appreciable alterations in the optoelectronic properties of the polymers were achieved through minor changes in their structural features. The polymers were further characterized by thin-film X-ray diffraction, atomic force microscopy, and spectroelectrochemistry to investigate their material and electrochemical properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02743}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000363970700011, title = {Synthetic biological circuits: digital or analog?}, journal = {Current Science}, volume = {109}, number = {8}, year = {2015}, month = {OCT}, pages = {1386-1387}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Busupalli, Balanagulu} } @article { ISI: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:000354108200006, title = {Tailor made ionic liquids: catalyst and media for organic transformations}, journal = {Current Organic Chemistry}, volume = {19}, number = {8}, year = {2015}, month = {FEB}, pages = {728-742}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Ionic liquids are considered as one of the safe, green and environmentally benign solvents/catalysts for many organic reactions. Particularly, imidazolium based ionic liquids attracted much attention in basic as well as applied research. The major role of these ionic liquids is the replacement of the existing corrosive solvents, which are largely used in most of the organic processes and make these processes more eco-friendly. Recent report reveals the importance of imidazolium based ionic liquids, supported on silica gel or polystyrene in catalysis. The solid supports have well versed properties such as easy anchoring of ionic liquid, chemically and mechanically very stable and inert in nature. These ionic liquids can be tailored either by covalent attachment or simple deposition of the ionic liquid on the surface of the support. Both approaches showed enhanced reactivity and selectivity for various reactions. In this review, we made an attempt to review the recent reports related to synthesis and applications of tailor made ionic liquids and their use as catalyst in Aldol, Friedel-Crafts alkylation, hydroformylation, nucleophilic substitution and biomass transformation reactions.

}, keywords = {Green solvent, heterogeneous catalyst, organic transformation, sustainable process, task-specific ionic liquids}, issn = {1385-2728}, author = {Chandra, Prakash and Shinde, Sandip S. and Biradar, Ankush V.} } @article { ISI:000347890900011, title = {Targeting dormant tuberculosis bacilli: results for molecules with a novel pyrimidone scaffold}, journal = {Chemical Biology \& Drug Design}, volume = {85}, number = {2}, year = {2015}, month = {FEB}, pages = {201-207}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Our inability to completely control TB has been due in part to the presence of dormant mycobacteria. This also renders drug regimens ineffective and is the prime cause of the appearance of drug-resistant strains. In continuation of our efforts to develop novel antitubercular agents that especially target dormant mycobacteria, a set of 55 new compounds belonging to the pyrimidone class were designed on the basis of CoMFA and CoMSIA studies, and these were synthesized and subsequently tested against both the dormant and virulent BCG strain of M.tuberculosis. Some novel compounds have been identified which selectively inhibit the dormant tuberculosis bacilli with significantly low IC50 values. This study reports the second molecule after TMC-207, having the ability to inhibit tuberculosis bacilli exclusively in its dormant phase. The synthesis was accomplished by a modified multicomponent Biginelli reaction. A classification model was generated using the binary QSAR approach - recursive partitioning (RP) to identify structural characteristics related to the activity. Physicochemical, structural, topological, connectivity indices, and E-state key descriptors were used for generation of the decision tree. The decision tree could provide insights into structure-activity relationships that will guide the design of more potent inhibitors.

}, keywords = {Antitubercular activity, dormant tuberculosis bacilli, pyrimidones, recursive partitioning}, issn = {1747-0277}, doi = {10.1111/cbdd.12373}, author = {Joshi, Rohit R. and Barchha, Avinash and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Sarkar, Sampa and Sarkar, Dhiman and Joshi, Rohini R. and Joshi, Ramesh A. and Shah, Anamik K. and Coutinho, Evans C.} } @article { ISI:000363023500010, title = {Temporal protein expression pattern in intracellular signalling cascade during T-cell activation: a computational study}, journal = {Journal of Biosciences}, volume = {40}, number = {4}, year = {2015}, month = {OCT}, pages = {769-789}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Various T-cell co-receptor molecules and calcium channel CRAC play a pivotal role in the maintenance of cell{\textquoteright}s functional responses by regulating the production of effector molecules (mostly cytokines) that aids in immune clearance and also maintaining the cell in a functionally active state. Any defect in these co-receptor signalling pathways may lead to an altered expression pattern of the effector molecules. To study the propagation of such defects with time and their effect on the intracellular protein expression patterns, a comprehensive and largest pathway map of T-cell activation network is reconstructed manually. The entire pathway reactions are then translated using logical equations and simulated using the published time series microarray expression data as inputs. After validating the model, the effect of in silico knock down of co-receptor molecules on the expression patterns of their downstream proteins is studied and simultaneously the changes in the phenotypic behaviours of the T-cell population are predicted, which shows significant variations among the proteins expression and the signalling routes through which the response is propagated in the cytoplasm. This integrative computational approach serves as a valuable technique to study the changes in protein expression patterns and helps to predict variations in the cellular behaviour.

}, keywords = {Boolean model, co-receptors and CRAC channel, synchronous and asynchronous simulation, T-cell signalling pathway, temporal gene expression patterns}, issn = {0250-5991}, doi = {10.1007/s12038-015-9561-1}, author = {Ganguli, Piyali and Chowdhury, Saikat and Bhowmick, Rupa and Sarkar, Ram Rup} } @article { ISI:000358624200005, title = {Terahertz spectroscopy and solid-state density functional theory calculations of cyanobenzaldehyde isomers}, journal = {Journal of Physical Chemistry A}, volume = {119}, number = {29}, year = {2015}, month = {JUL}, pages = {7991-7999}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal packing arrangement. To understand the variation of THz resonances, THz spectra (2-10 THz) of three structural isomers: 2-, 3-, and 4-cyanobenzaldehyde have been studied. THz spectra obtained from Fourier transform infrared (FTIR) spectrometry of these isomers show that the resonances are distinctly different especially below 5 THz. For understanding the intermolecular interactions due to hydrogen bonds, four molecule cluster simulations of each of the isomers have been carried out using the B3LYP density functional with the 6-31G(d,p) basis set in Gaussian09 software and the compliance constants are obtained. However, to understand the exact reason behind the observed resonances, simulation of each isomer considering the full crystal structure is essential. The crystal structure of each isomer has been determined using X-ray diffraction (XRD) analysis for carrying out crystal structure simulations. Density functional theory (DFT) simulations using CRYSTAL14 software, utilizing the hybrid density functional B3LYP, have been carried out to understand the vibrational modes. The bond lengths and bond angles from the optimized structures are compared with the XRD results in terms of root-mean-square-deviation (RMSD) values. Very low RMSD values confirm the overall accuracy of the results. The simulations are able to predict most of the spectral features exhibited by the isomers. The results show that low frequency modes (\<3 THz) are mediated through hydrogen bonds and are dominated by intermolecular vibrations.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b01942}, author = {Dash, Jyotirmayee and Ray, Shaurnik and Nallappan, Kathirvel and Kaware, Vaibhav and Basutkar, Nitin B. and Gonnade, Rajesh G. and Ambade, Ashootosh V. and Joshi, Kavita and Pesala, Bala} } @article { ISI:000362679300001, title = {Themed issue on {\textquoteleft}{\textquoteleft}Organic field-effect transistors: interfacial phenomena and electronic properties{\textquoteright}{\textquoteright}}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {40}, year = {2015}, month = {SEP}, pages = {26509-26511}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1463-9076}, doi = {10.1039/c5cp90162f}, author = {Krishnamoorthy, K. and Facchetti, Antonio F. and Hu, Wenping and Bao, Zhenan} } @article { ISI:000354735600005, title = {Theoretical insight of nitric oxide adsorption on neutral and charged Pd-n (n=1-5) clusters}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {13}, year = {2015}, month = {JUL}, pages = {837-845}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Density functional theory (DFT) calculations within the framework of generalized gradient approximation have been used to systematically investigate the adsorption of nitric oxide (NO) molecule on neutral, cationic, and anionic Pd-n (n=1-5) clusters. NO coordinate to one Pd atom of the cluster by the end-on mode, where the tilted end-on structure is more favorable due to the additional electron in the * orbital. On the contrary, in the neutral and cationic Pd-2 system, NO coordinates to the bridge site of cluster preferably by the side-on mode. Charge transfer between Pd clusters and NO molecule and the corresponding weakening of NO bond is an essential factor for the adsorption. The NO stretching frequency follow the order of cationic\>neutral\>anionic. Binding energy of NO on anionic clusters is found to be greater than those of neutral and cationic clusters. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {Density functional theory, electronic property, geometric configuration, NO adsorption, small palladium cluster}, issn = {0020-7608}, doi = {10.1002/qua.24914}, author = {Begum, Pakiza and Gogoi, Pranjal and Mishra, Bhupesh Kumar and Deka, Ramesh Chandra} } @article { ISI:000366878300084, title = {Three-component coupling involving arynes, aromatic tertiary amines, and aldehydes via aryl-aryl amino group migration}, journal = {Organic Letters}, volume = {17}, number = {24}, year = {2015}, month = {DEC}, pages = {6270-6273}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The transition-Metal-free multicomponent coupling of arynes, aromatic tertiary amines, and aldehydes proceeding via the aryl to aryl amino group migration has been demonstrated. This protocol allows rapid access to ortho-functionalized tertiary amines in moderate to good yields. Moreover, activated ketones can also be used as the aldehyde Component in the present reaction. The similarity of the aryl-aryl tertiary amino group migration with the Smiles rearrangement is striking.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03319}, author = {Bhojgude, Sachin Suresh and Baviskar, Dnyaneshwar R. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000354211100055, title = {Tolbutamide induces conformational change and promotes albumin glycation}, journal = {RSC Advances}, volume = {5}, number = {50}, year = {2015}, month = {APR}, pages = {40070-40075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Tolbutamide is a first generation sulfonylurea drug used for the treatment of type II diabetes. In the present study, the effect of tolbutamide on albumin conformation was investigated using BSA as a model protein. The binding of tolbutamide induced a conformational change in albumin, which was confirmed by thioflavin T assay, ANS assay, and CD spectroscopy. Computer simulations suggested that the binding of tolbutamide increases the solvent accessibility of lysine residues, the hotspots of glycation. Furthermore, the change in conformation of albumin facilitates increased glycation, which was observed by AGE specific fluorescence and the results were corroborated by mass spectrometric analysis. This study suggested that tolbutamide enhances albumin glycation by inducing conformational change in BSA and hence could be a potential risk factor if used for a prolonged period.

}, issn = {2046-2069}, doi = {10.1039/c5ra03839a}, author = {Bansode, Sneha B. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Jana, Asis K. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000350763600017, title = {Total and semi-syntheses of antimicrobial thuggacin derivatives}, journal = {Chemistry-A European Journal}, volume = {21}, number = {11}, year = {2015}, month = {MAR}, pages = {4272-4284}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The total and semi-synthesis of 13 new macrolactones derived from thuggacin, which is a secondary metabolite from the myxobacterium Sorangium cellulosum, are reported. The thuggacins have attracted much attention due to their strong antibacterial activity, particularly towards Mycobacterium tuberculosis. This study focuses on 1) thuggacin derivatives that cannot equilibrate by transacylation between the three natural thuggacins A-C, 2) the roles of the thiazole ring, and 3) the hexyl side chain at C2. Semi-synthetic O-methylation at C17 suppressed the transacylations without a substantial loss of antibacterial activity. Exchanging the C17-C25 side chain for simplified hydrophobic chains led to complete loss of antibacterial activity. Exchange of the thiazole by an oxazole ring or removal of the hexyl side chain at C2 had no substantial effect on the biological properties.

}, keywords = {antibiotics, lactones, Natural products, synthesis design, Total synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201405874}, author = {Franke, Jana and Bock, Martin and Dehn, Richard and Fohrer, Joerg and Mhaske, Santosh B. and Migliorini, Antonella and Kanakis, Argyrios A. and Jansen, Rolf and Herrmann, Jennifer and Mueller, Rolf and Kirschning, Andreas} } @article { ISI:000364803200007, title = {Total syntheses and biological evaluation of (+/-)-botryosphaeridione, (+/-)-pleodendione, 4-epi-periconianone B, and analogues}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1117-1121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The total syntheses of (+/-)-botryosphaeridione, (+/-)-pleodendione, (+/-)-hoaensieremodione, 4-epi-periconianone B, and their analogues have been accomplished for the first time. All the synthesized target compounds were screened in neural anti-inflammatory assays using LPS induced microglia cells (N9). Among them, compounds 1 and 21 were identified as potential lead compounds for further profiling.

}, keywords = {antineuroinflammatoty agents, bohyosphaeridione, Natural product, pleodendione, Total synthesis}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00241}, author = {Handore, Kishor L. and Jadhav, Prakash D. and Hazra, Bibhabasu and Basu, Anirban and Reddy, D. Srinivasa} } @article { ISI:000363389400005, title = {Transition-metal-catalyzed hydrogen-transfer annulations: access to heterocyclic scaffolds}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {38}, year = {2015}, month = {SEP}, pages = {11022-11034}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The ability of hydrogen-transfer transition-metal catalysts, which enable increasingly rapid access to important structural scaffolds from simple starting materials, has led to a plethora of research efforts on the construction of heterocyclic scaffolds. Transition-metal-catalyzed hydrogen-transfer annulations are environmentally benign and highly atom-economical as they release of water and hydrogen as by-product and utilize renewable feedstock alcohols as starting materials. Recent advances in this field with respect to the annulations of alcohols with various nucleophilic partners, thus leading to the formation of heterocyclic scaffolds, are highlighted herein.

}, issn = {1433-7851}, doi = {10.1002/anie.201503247}, author = {Nandakumar, Avanashiappan and Midya, Siba Prasad and Landge, Vinod Gokulkrishna and Balaraman, Ekambaram} } @article { ISI:000354043200025, title = {Trifunctional mesoporous silica-based, highly active catalyst for one-pot, three-step cascade reactions}, journal = {Chemical Communications}, volume = {51}, number = {40}, year = {2015}, month = {APR}, pages = {8496-8499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the synthesis of a trifunctional catalyst containing amine, sulphonic acid and Pd nanoparticle catalytic groups anchored on the pore walls of SBA-15. The catalyst efficiently catalyzes one-pot three-step cascade reactions comprising deacetylation, Henry reaction and hydrogenation, giving up to similar to 100\% conversion and 92\% selectivity to the final product.

}, issn = {1359-7345}, doi = {10.1039/c5cc01694k}, author = {Biradar, Ankush V. and Patil, Vijayshinha S. and Chandra, Prakash and Doke, Dhananjay S. and Asefa, Tewodros} } @article { ISI:000365070700106, title = {Two new potential barcodes to discriminate dalbergia species}, journal = {Plos One}, volume = {10}, number = {11}, year = {2015}, month = {NOV}, pages = {Article Number: e0142965}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

DNA barcoding enables precise identification of species from analysis of unique DNA sequence of a target gene. The present study was undertaken to develop barcodes for different species of the genus Dalbergia, an economically important timber plant and is widely distributed in the tropics. Ten Dalbergia species selected from the Western Ghats of India were evaluated using three regions in the plastid genome (matK, rbcL, trnH-psbA), a nuclear transcribed spacer (nrITS) and their combinations, in order to discriminate them at species level. Five criteria: (i) inter and intraspecific distances, (ii) Neighbor Joining (NJ) trees, (iii) Best Match (BM) and Best Close Match (BCM), (iv) character based rank test and (v) Wilcoxon signed rank test were used for species discrimination. Among the evaluated loci, rbcL had the highest success rate for amplification and sequencing (97.6\%), followed by matK (97.0\%), trnH-psbA (94.7\%) and nrITS (80.5\%). The inter and intraspecific distances, along with Wilcoxon signed rank test, indicated a higher divergence for nrITS. The BM and BCM approaches revealed the highest rate of correct species identification (100\%) with matK, matK+rbcL and matK+trnH-psb loci. These three loci, along with nrITS, were further supported by character based identification method. Considering the overall performance of these loci and their ranking with different approaches, we suggest matK and matK+rbcL as the most suitable barcodes to unambiguously differentiate Dalbergia species. These findings will potentially be helpful in delineating the various species of Dalbergia genus, as well as other related genera.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0142965}, author = {Bhagwat, Rasika M. and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Balasundaran, M. and Gupta, Vidya S.} } @article { ISI:000349942400010, title = {Ultrafast electron injection, hole transfer, and charge recombination dynamics in cdse QD super-sensitized Re(I)-polypyridyl complexes with catechol and resorcinol moiety: effect of coupling}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {7}, year = {2015}, month = {FEB}, pages = {3522-3529}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ultrafast charge-transfer dynamics have been demonstrated in CdSe quantum dots (QD) using two Re(I)-polypyridyl complexes having pendent catechol (Re1,2) and resorcinol (Re1,3) as the sensitizer molecules. The energy level diagram of CdSe QD and Re1,2 and Re1,3 sensitizer reveals that photoexcited hole of CdSe QD can be transferred to both Re1,2 and Re1,3 molecule, and photoexcited Re1,2 and Re1,3 can inject electron in the conduction band, which has been confirmed by steady-state and time-resolved photoluminescence studies with selective photoexcitation. Femtosecond transient absorption studies have been carried out to monitor charge-transfer dynamics in early time scale. Transient absorption spectra show formation of cation radicals for both Re1,2 and Re1,3 in the 550-650 nm region with a peak at 590 nm region and broad absorption in the 650-1000 nm region, which can be attributed to photoexcited electron in the conduction band of CdSe QD. Charge recombination was determined by monitoring the decay of cation radicals as well as decay of an electron and found to be slower in the Re1,3/CdSe system as compared to that of the Re1,2/CdSe system, which is due to weaker electronic coupling in the former system.

}, issn = {1932-7447}, doi = {10.1021/jp5122068}, author = {Debnath, Tushar and Maity, Partha and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000363417900029, title = {Ultra-thin V2O5 nanosheet based humidity sensor, photodetector and its enhanced field emission properties}, journal = {RSC Advances}, volume = {5}, number = {108}, year = {2015}, month = {OCT}, pages = {88796-88804}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the synthesis of V2O5 nanosheets by a simple hydrothermal method. The as synthesized V2O5 nanosheets were characterized by Raman spectroscopy, Field Emission Scanning Electron Microscopy (FESEM), Transmission Electron Microscopy (TEM) and UV-Vis spectroscopy. The humidity sensing behaviors were investigated in the range of 11-97\% relative humidity (RH) at room temperature. The maximum sensitivity of 45.3\%, response time of similar to 4 min and recovery time of similar to 5 min were observed for the V2O5 nanosheet based sensor. We also demonstrated the V2O5 nanosheets as an ultra-violet photodetector with a sensing response time of similar to 65 s and recovery time of similar to 75 s with a maximum photoresponsivity of similar to 6.2\%. Further, we have also carried out field emission (FE) investigations of V2O5 nanosheets under a planar {\textquoteleft}{\textquoteleft}Diode{\textquoteright}{\textquoteright} assembly in an ultrahigh vacuum (UHV) chamber at a base pressure of similar to 1 x 10(-8) mbar. The turn on fields required to draw field emission current densities of 1 mu A cm(-2) and 10 mu A cm(-2) are found to be 1.15 V mu m(-1) and 1.72 V mu m(-1), respectively. We achieved a maximum field emission current density of 1.532 mA cm(-2) at an applied electric field of 3.2 V mu m(-1). The field enhancement factors calculated from the slope of the Fowler-Nordheim (F-N) plot are found to be 8530 and 3530 at low field and high field regions, respectively. Our results open up several avenues towards the successful utilization of V2O5 nanosheets and other metal oxide nanosheets for various nanoelectronics device applications including sensors, photodetector and flat panel displays.

}, issn = {2046-2069}, doi = {10.1039/c5ra17253e}, author = {Pawar, Mahendra S. and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J.} } @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:000364585200026, title = {Unraveling the success and failure of mode coupling theory from consideration of entropy}, journal = {Journal of Chemical Physics}, volume = {143}, number = {17}, year = {2015}, month = {NOV}, pages = {174504}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We analyze the dynamics of model supercooled liquids in a temperature regime where predictions of mode coupling theory (MCT) are known to be valid qualitatively. In this regime, the Adam-Gibbs (AG) relation, based on an activation picture of dynamics, also describes the dynamics satisfactorily, and we explore the mutual consistency and interrelation of these descriptions. Although entropy and dynamics are related via phenomenological theories, the connection between MCT and entropy has not been argued for. In this work, we explore this connection and provide a microscopic derivation of the phenomenological Rosenfeld theory. At low temperatures, the overlap between the MCT power law regime and AG relation implies that the AG relation predicts an avoided divergence at T-c, the origin of which can be related to the vanishing of pair configurational entropy, which we find occurring at the same temperature. We also show that the residual multiparticle entropy plays an important role in describing the relaxation time. (C) 2015 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4934986}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Sengupta, Shiladitya and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article { ISI:000351236300059, title = {UV-assisted size sampling and antibacterial screening of lantana camara leaf extract synthesized silver nanoparticles}, journal = {RSC Advances}, volume = {5}, number = {31}, year = {2015}, month = {FEB}, pages = {24513-24520}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Green route synthesized silver nanoparticles are extremely toxic to multidrug resistant bacteria and have widespread applications in biomedical science. If the silver reducing weed extract possesses antimicrobial properties then it can additionally contribute to the medicinal activity. Herein, we present a synthesis of silver nanoparticles by using the weed plant Lantana camara{\textquoteright}s leaf extract. This study shows an easy, quick and cost-effective route to silver nanoparticle synthesis. Size controlled synthesis of Ag-0 nanoparticles is studied and discussed based on optical absorption, photoluminescence, dynamic light scattering (DLS), zeta potential, infrared spectroscopy, X-ray diffraction measurements, FE-SEM and TEM analysis. The synthesis of silver nanoparticles via this green approach shows very high antibacterial activity against E coli (Gram -ve) and S. aureus (Gram +ve) bacteria at a very low concentration (50 ppm Ag nanoparticles). Use of such eco-friendly nanoparticles may open a door for a new range of bactericidal agents.

}, issn = {2046-2069}, doi = {10.1039/c4ra17233g}, author = {Singh, Pradeep Kumar and Bhardwaj, Kirti and Dubey, Parul and Prabhune, Asmita} } @article { ISI:000359136500056, title = {Vapour-liquid-solid growth of one-dimensional In2Se3 nanostructures and their promising field emission behaviour}, journal = {RSC Advances}, volume = {5}, number = {80}, year = {2015}, month = {JUL}, pages = {65274-65282}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Single crystalline ultra long In2Se3 nanowires have been grown by employing a single step facile thermal evaporation route under optimized conditions on Au/Si wafers, and morphology dependent field emission investigations on the In2Se3 nanostructure at the base pressure -1 x 10(-8) mbar are explored. In addition, structural and morphological analysis of as-synthesized In2Se3 nanostructures has been carried out using XRD, SEM and TEM. A plausible explanation of the vapor-solid-liquid (VLS) growth mechanism based on the experimental results and reported literature has been presented. Furthermore, field emission measurements demonstrate remarkably enhanced emission behaviour, which is explained on the basis of the field enhancement factor and aspect ratio of the nanostructures. The synthesized In25e3 nanowire emitter delivers a very high current density of -1.2 mA cm(-2) at an applied electric field of -6.33 cm(-1). The present results demonstrate In2Se3 as an important candidate for potential applications in nano/micro-electronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra10160c}, author = {Suryawanshi, Sachin R. and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J.} } @article {42477, title = {Visible light-triggered disruption of micelles of an amphiphilic block copolymer with BODIPY at the junction}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {OCT}, pages = {17708-17711}, abstract = {

A visible light-cleavable polymer is synthesised to overcome the limitations of UV-sensitive polymers. Photocleavable BODIPY functionalized with an ATRP initiator and alkyne was used to obtain an amphiphilic block copolymer by conducting the click reaction and polymerization simultaneously. Micellar assembly of the polymer was disintegrated under visible light irradiation with controlled release of cargo.

}, doi = {10.1039/C5CC06820G}, author = {Patil, Naganath G. and Basutkar, Nitin B. and Ambade, Ashootosh V.} } @article {42699, title = {Well-defined palladium(II) complexes for ligand enabled C(sp3)-alkynylation}, journal = {Dalton Transactions}, volume = {44}, year = {2015}, month = {JUL}, pages = {15382-15386}, abstract = {

The first example of ligand-enabled C(sp3)-alkynylation of 8-methylquinoline is reported. The reaction is catalysed by well-defined Pd(II) complexes. The present C(sp3)-alkynylation has a broad substrate scope as well as functional group tolerance and proceeds efficiently under mild conditions.

}, doi = {10.1039/C5DT02772A}, author = {Landge, Vinod Gokulkrishna and Sahoo, Manoj Kumar and Midya, Siba Prasad and Jaiswal, Garima and Balaraman, Ekambaram} } @article { ISI:000359166300077, title = {Zinc inhibits glycation induced structural, functional modifications in albumin and protects erythrocytes from glycated albumin toxicity}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {601-610}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present work aims to investigate the concentration and time dependant effect of zinc on the in vitro non enzymatic modifications of albumin by diabetic levels of glucose. Further, preventive and curative effect of zinc was studied by adding zinc before and after initiation of glycation respectively. Glycation of albumin was done at different concentrations of zinc (125, 250 and 500 mu M) at different time intervals (21,28 and 35 days) with appropriate controls. The antiglycation potential of zinc was assessed by estimating different markers of albumin glycation (fructosamines, carbonyls, bound sugar, AGEs), structural modifications (free amino, thiol group, beta amyloid, native PAGE, ANS binding, fluorescence lifetime decay and CD analysis) and functional properties (antioxidant activity, hemolysis). Zinc at highest concentration (500 mu M) significantly reduced modifications of albumin which was comparable to aminoguanidine and also protected secondary and tertiary structure of albumin after 28 days of incubation. Zinc exhibited significant protective effect on erythrocytes by inhibiting hemolysis. Thus the present study indicate preventive mode of albumin glycation inhibition by zinc. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Albumin, Erythrocytes, Glycation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.05.028}, author = {Tupe, Rashmi and Kulkarni, Amruta and Adeshara, Krishna and Sankhe, Neena and Shaikh, Shamim and Dalai, Sayli and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article { ISI:000378005600001, title = {2016 New talent: crystal engineering at its biggest and strongest}, journal = {Crystengcomm}, volume = {18}, number = {22}, year = {2016}, month = {MAY}, pages = {3963-3967}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c6ce90060g}, author = {Banerjee, Rahul and Day, Graeme M. and Friscic, Tomislav and Zhang, Hongjie} } @article {42976, title = {3D Polyaniline architecture by concurrent inorganic and organic acid doping for superior and robust high rate supercapacitor performance}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {Article No. 21002}, doi = {10.1038/srep21002}, author = {Gawli, Yogesh and Banerjee, Abhik and Dhakras, Dipti and Deo, Meenal S. and Bulani, Dinesh and Wadgaonkar, Prakash P. and Shelke, Manjusha and Ogale, Satishchandra} } @article {45819, title = {4 {\textquoteleft}-Epi-DNA: A DNA Mimic Containing 4 {\textquoteleft}-hydroxymethyl-alpha-l-Xylo-thymidine with compact backbone like RNA}, journal = {Nucleosides Nucleotides \& Nucleic Acids}, volume = {35}, year = {2016}, month = {APR}, pages = {445-458}, type = {Article}, abstract = {

Synthesis of C4-epi-DNA containing 3 5 linkages is reported for the first time. Crystal structure study of the monomer indicated that though the dihedral angle O3-C3-C4-C5 in this case would be like in RNA, the sugar conformation would remain like that in DNA. The study of the effect of this backbone configuration in DNA with respect to its binding to cDNA and RNA is reported in this note.

}, keywords = {4 {\textquoteleft}-hydroxymethyl nucleosides C4 {\textquoteleft}-epi-DNA, Antisense Oligonucleotide}, issn = {1525-7770}, doi = {10.1080/15257770.2016.1202963}, author = {Bagmare, Seema and Puranik, Vedavati G. and Fernandes, Moneesha and Kumar, Vaijayanti A.} } @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:000372253700012, title = {Anion coordinated capsules and pseudocapsules of tripodal amide, urea and thiourea scaffolds}, journal = {RSC Advances}, volume = {6}, number = {32}, year = {2016}, month = {MAR}, pages = {26568-26589}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This review aims to deliver a detailed and comparative account of the reported examples of anion (halide and oxyanions) coordinated capsules and pseudocapsules of tripodal receptors that employ hydrogen bonds and/or electrostatic hydrogen bonds offered by specific binding sites from amide, urea and thiourea functionalities. The review discusses both the structural aspects of anion binding and solution-state anion binding affinities of N-bridged and aryl-bridged tripodal receptors. Discussions relating to selective anion recognition and separation, carbondioxide uptake, and transmembrane anion transport, as demonstrated by some of these tripodal receptors have also been included in this review.

}, issn = {2046-2069}, doi = {10.1039/c6ra00268d}, author = {Dey, Sandeep Kumar and Basu, Arghya and Chutia, Romen and Das, Gopal} } @article { ISI:000382713800008, title = {Application of roof-shape amines as chiral solvating agents for discrimination of optically active acids by NMR spectroscopy: study of match-mismatch effect and crystal structure of the diastereomeric salts}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {17}, year = {2016}, month = {SEP}, pages = {7384-7392}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Optically active roof-shape amines were prepared and scanned as chiral solvating agents to study molecular recognition of acids by NMR analysis. Three types of amines were studied to establish a match mismatch effect for structurally diverse acid analytes. Single-crystal X-ray diffraction analysis was performed on the diastereomeric salts of roof shape amines and both isomers of mandelic acid to establish molecular conformation and correlate the absolute configuration with the observed NMR shift. The present system also recognizes the two isomers of weakly acidic BINOL and its derivatives.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00935}, author = {Gupta, Riddhi and Gonnade, Rajesh G. and Bedekar, Ashutosh V.} } @article {42417, title = {Aryne [2,3] stevens rearrangement}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5428-5431}, abstract = {

Arynes are employed in the transition-metal-free and mild [2,3] Stevens rearrangement of tertiary allylic amines for the synthesis of functionalized homoallylic amines in moderate to good yield with a broad substrate scope. The key nitrogen ylide intermediate was generated by the N-arylation of allyl amines using arynes. Moreover, the reaction of chiral allyl amines with arynes resulted in the enantiospecific synthesis of homoallylic amines. In addition, preliminary studies on the [1,2] Stevens rearrangement is also presented.

}, doi = {10.1021/acs.orglett.6b02809}, author = {Roy, Tony and Thangaraj, Manikandan and Kaicharla, Trinadh and Kamath, Rupa V. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {42844, title = {Au(I)/Ag(I) co-operative catalysis: interception of Ag-bound carbocations with α-gold(I) enals in the imino-alkyne cyclizations with N-allenamides}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {NOV}, pages = {14462-14465}, doi = {10.1039/C6CC08385D}, author = {Bagle, Pradip N. and Mane, Manoj V. and Vanka, Kumar and Shinde, Dinesh R. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @article { ISI:000363815800016, title = {Bicinchoninic acid-based colorimetric chemosensor for detection of low concentrations of cyanide}, journal = {Sensors and Actuators B-Chemical}, volume = {222}, year = {2016}, month = {JAN}, pages = {112-119}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Bicinchoninic acid (BCA) is reagent that is widely used to determine the concentration of proteins in solutions through the colored complex it forms with Cu(I) and the proteins. In this report, we present a new use for BCA, where a highly sensitive method for detection of cyanide ions in solutions by using Cu2+-BCA complex as the chemosensing agent is demonstrated. The detection of cyanide ions is achieved by taking advantage of the nucleophilic attack of the Cu2+-BCA complex by cyanide ions. Upon the addition of cyanide ions, the Cu2+-BCA complex undergoes transformations to free BCA via a series of equilibriums and, as a result, forms different Cu(II)-(BCA)(x)(CN)(y) species depending on the concentrations of cyanide ions in the solution. These different Cu(II)-(BCA)(x)(CN)(y) species, in turn, give different metal-to-ligand charge transfer electronic spectra and colors that are easily detectable both with naked eyes and UV-vis spectroscopy. As the cyanide ion concentration increases, the color of the solution containing the complexes changes from green to purple, red, yellow, and finally colorless, giving a corresponding blue shift in the absorption maxima on their UV-vis spectra. Through this process, the complexes enable detection of cyanide ions with a detection level of up to 0.06 ppm in solutions. Thus, this colorimetric technique based on Cu2+-BCA can make low concentrations of cyanide detectable, well before the concentrations possibly reach lethal amounts. Furthermore, the method is shown to give fast detection response with no interference from other anionic and cationic species and has the potential to be adopted for accurate and convenient analysis of cyanide ions in drinking water sources as well as industrial effluents. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {BCA, Bicinchoninic acid, Chemosensor, Colorimetric sensor, Copper, Cyanide}, issn = {0925-4005}, doi = {10.1016/j.snb.2015.08.043}, author = {Biradar, Archana A. and Biradar, Ankush V. and Sun, Tiffany and Chan, Yung and Huang, Xiaoxi and Asefa, Tewodros} } @article { ISI:000377826000008, title = {Biogenic green synthesis of monodispersed gum kondagogu (Cochlospermum gossypium) iron nanocomposite material and its application in germination and growth of mung bean (Vigna radiata) as a plant model}, journal = {IET Nanobiotechnology}, volume = {10}, number = {3}, year = {2016}, month = {JUN}, pages = {141-146}, publisher = {INST ENGINEERING TECHNOLOGY-IET}, address = {MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND}, abstract = {

An eco-friendly green and one-pot synthesis of highly monodispersed iron (Fe) nanoparticles (NPs) by using a natural biopolymer, gum kondagogu (GK) as reducing and capping agent is proposed. The NPs synthesised were characterised by ultra-violet-visible spectroscopy, transmission electron microscopy, scanning electron microscopy and X-ray diffraction. As the concentration of gum and time increases, the intensity of NPs formation increased. The NPs were highly monodispersed with uniform circular shapes of 2-6 nm in size. The formed NPs were crystalline in nature which was confirmed by diffraction analysis. The conversion ratio of Fe ionic form to NPs was 21\% which was quantified by inductively coupled plasma mass spectroscopy (ICP-MS). Fe is essential for plant growth and development. A study was conducted to examine the effect of these NPs on the growth of mung bean (Vigna radiata). The radical length and biomass was increased in seeds exposed to Fe NPs than the ions. The uptake of Fe NPs by the sprouts was also quantified by ICP-MS, in which Fe was more in mung bean seeds exposed to NPs. The -amylase activity was increased in the seeds exposed to NPs. The observed increase in the biomass by Fe NPs and seed germination may facilitate its application in the agriculture as an important cost-effective method for plant growth.

}, keywords = {alpha-amylase activity, Biogenic green synthesis, biological techniques, Biomass, Cochlospermum gossypium, diffraction analysis, enzymes, Fe, gum concentration, high-monodispersed iron nanoparticles, inductively coupled plasma mass spectroscopy, ionic-to-nanoparticle iron conversion ratio, iron, monodispersed gum kondagogu, monodispersed gum kondagogu iron nanocomposite material, mung bean germination, mung bean growth, Nanobiotechnology, Nanocomposites, nanoparticle formation, Nanoparticles, natural biopolymer, plant growth, plant model, scanning electron microscopy, size 2 nm to 6 nm, transmission electron microscopy, ultraviolet spectra, ultraviolet-visible spectroscopy, Vigna radiata, visible spectra, X-ray diffraction}, issn = {1751-8741}, doi = {10.1049/iet-nbt.2015.0112}, author = {Raju, Dugyala and Mehta, Urmil J. and Beedu, Sashidhar Rao} } @article { ISI:000367601200011, title = {Biological activity of sophorolipids and their possible use as antiviral agents}, journal = {Folia Microbiologica}, volume = {61}, number = {1}, year = {2016}, month = {JAN}, pages = {85-89}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Sophorolipids are surface active glycolipids consisting of a hydrophilic sophorose unit and a hydrophobic portion composed of a fatty acid tail. Crude sophorolipid sample contains both acidic and lactonic forms of sophorolipid with different degrees of acetylation and varying lengths of the fatty acid chains depending on the substrates used in the production process. Carboxylic end in the acidic form of the fatty acid is free, whereas in the lactonic form, it is internally esterified. Sophorolipids show different physicochemical properties with wide range of applications for each structural compound. Lactonic form of sophorolipids shows surface tension reducing ability and biological activity, whereas the acidic form possesses better foam forming ability and higher solubility. Presence of acetyl groups gives hydrophilic nature to the sophorolipids which promotes its antiviral and cytokine-stimulating properties. The aim of this review is to explore and suggest the plausibility of sophorolipids as therapeutic and prophylactic agents for the treatment of viral diseases.

}, issn = {0015-5632}, doi = {10.1007/s12223-015-0413-z}, author = {Borsanyiova, Maria and Patil, Amrita and Mukherji, Ruchira and Prabhune, Asmita and Bopegamage, Shubhada} } @article { ISI:000369937200001, title = {Biosurfactant as a promoter of methane hydrate formation: thermodynamic and kinetic studies}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {20893}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Natural gas hydrates (NGHs) are solid non-stoichiometric compounds often regarded as a next generation energy source. Successful commercialization of NGH is curtailed by lack of efficient and safe technology for generation, dissociation, storage and transportation. The present work studied the influence of environment compatible biosurfactant on gas hydrate formation. Biosurfactant was produced by Pseudomonas aeruginosa strain A11 and was characterized as rhamnolipids. Purified rhamnolipids reduced the surface tension of water from 72 mN/m to 36 mN/m with Critical Micelle Concentration (CMC) of 70 mg/l. Use of 1000 ppm rhamnolipids solution in C type silica gel bed system increased methane hydrate formation rate by 42.97\% and reduced the induction time of hydrate formation by 22.63\% as compared to water saturated C type silica gel. Presence of rhamnolipids also shifted methane hydrate formation temperature to higher values relative to the system without biosurfactant. Results from thermodynamic and kinetic studies suggest that rhamnolipids can be applied as environment friendly methane hydrate promoter.

}, issn = {2045-2322}, doi = {10.1038/srep20893}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Kumar, Rajnish and Balomajumder, Chandrajit and Singh, Anil Kumar and Santhakumari, B. and Kumar, Pushpendra and Laik, Sukumar} } @article { ISI:000380138100025, title = {Bronsted-acid-mediated divergent reactions of betti bases with indoles: an approach to chromeno[2,3-b]indoles through intramolecular dehydrogenative C2-alkoxylation of indole}, journal = {European Journal of Organic Chemistry}, number = {20}, year = {2016}, month = {JUL}, pages = {3441-3448}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Divergent reactions of various 1-(aminoalkyl) naphthols and 2-(aminoalkyl) phenols (commonly known as Betti bases) with indoles under Bronsted acid catalysis is reported. With the reaction strategies, one can efficiently synthesize important indole derivatives such as 3-(alpha,alpha-diarylmethyl)indoles and chromeno[2,3-b]indoles. Furthermore, we disclose here a new C-C bond-cleavage reaction, in which naphthol and phenol behave as leaving groups to produce diarylmethanes. Inexpensive reagents such as p-toluenesulfonic acid monohydrate and molecular iodine are used to catalyze the reactions. No metal catalyst is required. The starting material of the reactions, Betti bases, are easily prepared from a three-component reaction of naphthol/phenol, aldehydes, and secondary amines. The mechanisms for the reactions are established through some control experiments. Quinone methide is the key intermediate for all the reactions reported herein.

}, keywords = {Betti bases, C-O bond formation, Dearylation, Fused-ring systems, nitrogen heterocycles}, issn = {1434-193X}, doi = {10.1002/ejoc.201600546}, author = {Deb, Mohit L. and Pegu, Choitanya Dev and Deka, Bhaskar and Dutta, Prantu and Kotmale, Amol S. and Baruah, Pranjal K.} } @article {43407, title = {Budding trends in integrated pest management using advanced micro- and nano-materials: challenges and perspectives}, journal = {Journal of Environmental Management}, volume = {184}, year = {2016}, month = {DEC}, pages = {157-169}, abstract = {One of the most vital supports to sustain human life on the planet earth is the agriculture system that has been constantly challenged in terms of yield. Crop losses due to insect pest attack even after excessive use of chemical pesticides, are major concerns for humanity and environment protection. By the virtue of unique properties possessed by micro and nano-structures, their implementation in Agri-biotechnology is largely anticipated. Hence, traditional pest management strategies are now forestalling the potential of micro and nanotechnology as an effective and viable approach to alleviate problems pertaining to pest control. These technological innovations hold promise to contribute enhanced productivity by providing novel agrochemical agents and delivery systems. Application of these systems engages to achieve: i) control release of agrochemicals, ii) site-targeted delivery of active ingredients to manage specific pests, iii) reduced pesticide use, iv) detection of chemical residues, v) pesticide degradation, vi) nucleic acid delivery and vii) to mitigate post-harvest damage. Applications of micro and nano-technology are still marginal owing to the perception of low economic returns, stringent regulatory issues involving safety assessment and public awareness over their uses. In this review, we highlight the potential application of micro and nano-materials with a major focus on effective pest management strategies including safe handling of pesticides. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.jenvman.2016.09.071}, author = {Khandelwal, Neha and Barbole, Ranjit S. and Banerjee, Shashwat S. and Chate, Govind P. and Biradar, Ankush V. and Khandare, Jayant J. and Giri, Ashok P.} } @article {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.} } @inbook {45842, title = {Catalysis for fine and specialty chemicals}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {317-392}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {The fine and specialty chemical industry is extremely diverse, encompassing pharmaceuticals, dyestuffs, food additives, agrochemicals, polymer additives, flavors and fragrances, various chemical intermediates, etc. Fine and specialty chemicals have been around for more than 100 years and they are produced with the aim of either being used as is or in the form of additives/formulations. These organic chemicals are generally manufactured in batch or semibatch processes. Most of these generally involve multistep processes and often generate significant by-products/effluents per kg of useful products. Catalysis can be effectively used to reduce such waste generation and to minimize consumption of raw materials. In this chapter, we present various applications of homogeneous, as well as heterogeneous catalysis and catalytic processes, which are particularly relevant to fine and specialty chemicals}, doi = {10.1016/B978-0-12-801457-8.00008-2}, author = {Joshi, S. S. and Bhatnagar, A. and Ranade, V. V.} } @article { ISI:000374626200017, title = {Catalytic decarboxylation of non-edible oils over three-dimensional, mesoporous silica-supported Pd}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {417}, year = {2016}, month = {JUN}, pages = {126-134}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Deoxygenation of fatty acids (oleic and stearic acids) and non-edible oil (jatropha oil) over Pd(1-5 wt\%) supported on two structurally different, three-dimensional, mesoporous silica (SBA-12 and SBA-16) catalysts was investigated. Pd/SBA-16 (cubic mesoporous structure with space group Im (3) over barm) showed higher catalytic activity than Pd/SBA-12 (hexagonal mesoporous structure with space group p6(3)/mmc). The influence of reaction parameters like temperature, H-2 pressure and Pd content as well as the nature of the feedstock on catalytic activity and product selectivity was studied. A temperature of above 320 degrees C, reaction time of 5 h and Pd content (on silica surface) of 3 wt\% enabled complete conversion of the fatty compounds into diesel-range hydrocarbons. Deoxygenation proceeded through hydrodeoxygenation and decarboxylation mechanisms when a saturated (stearic) acid was used as a feed while it advanced mainly through decarboxylation route when an unsaturated (oleic) acid was employed. Higher surface hydrophobicity and smaller size particles of Pd are the possible causes for the superior catalytic activity of Pd/SBA-16. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Biofuel, Deoxygenation, Diesel-range hydrocarbons, Mesoporous silica, Supported palladium, Vegetable oil}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.03.023}, author = {Raut, Ravindra and Banakar, Vikram V. and Darbha, Srinivas} } @article {43373, title = {CeCl3 center dot 7H(2)O-NaI promoted regioselective sulfenylation of indoles with sulfonylhydrazides}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {JAN}, pages = {81-85}, abstract = {A simple and highly efficient method has been developed for the regioselective sulfenylation of a wide variety of indoles with alkyl and aryl sulfonylhydrazides as a sulphur source and CeCl3 center dot 7H(2)O-Nal as an inexpensive and readily available reagent system. This method involves the breaking of sulfur-oxygen and sulfur-nitrogen bonds and making of carbon-sulfur bond. The method provides high yields of the products with enhanced regioselectivity. We studied the reactivity of various electron rich and electron deficient indoles towards the sulfe-nylation reaction. The indoles containing electron donating group reacts fast towards the sulfenylation reaction as compared to the indoles containing electron withdrawing groups. More over functional groups like alkoxy, aryloxy, bromo, nitro, cyano, ester, were well tolerated under the established reaction conditions. We also proposed a plausible mechanism for this transformation. The experimental simplicity and environmentally benign nature of the reagent system makes this method an attractive alternative to established methods.}, doi = {10.1002/slct.201500014}, author = {Nookaraju, U. and Begari, Eeshwaraiah and Yetra, Ravikiran Reddy and Kumar, Pradeep} } @article { ISI:000372169700020, title = {Characteristics of precipitation pattern in the Arabian Peninsula and its variability associated with ENSO}, journal = {Arabian Journal of Geosciences}, volume = {9}, number = {3}, year = {2016}, month = {MAR}, pages = {186}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

A detailed analysis of the precipitation pattern of the Arabian Peninsula and its temporal and spatial variability were investigated in connection with ENSO. Also, the variability of precipitable water and circulation characteristics was examined for a better understanding. The study was carried out utilizing TRMM rainfall, NOAA OLR, precipitable water, wind, and humidity data sets. It is evident that Northern Arabian Peninsula receives high amount of rainfall mainly during winter and early summer (November to April) in connection with the passage of mid tropospheric westerly troughs and Mediterranean low-pressure systems. But the precipitation pattern over the Southern Arabian Peninsula reveals that it is mainly during summer (May to October) due to the Arabian Sea branch of monsoon and moisture laden cross equatorial LLJ flow. Further, analysis was carried out to assess the influence of ENSO on the precipitation pattern. Thorough analysis was carried out on the circulation pattern using velocity potential in the lower troposphere to understand the features of variability on Hadley/Walker circulation in relation with organized convection. El Nino and La Nina have profound influence on the rainfall pattern in a different manner in the Northern and Southern Arabian Peninsula. Large-scale circulation pattern as derived from velocity potential indicates that shifting of the rising/sinking limb of Hadley/Walker circulation associated with the ENSO causes variability in precipitation.

}, keywords = {Arid region, Circulation, El Nino and La Nina, Precipitation pattern}, issn = {1866-7511}, doi = {10.1007/s12517-015-2265-x}, author = {Babu, C. A. and Jayakrishnan, P. R. and Varikoden, Hamza} } @article {43431, title = {Characterization of roseomonas and nocardioides spp. for arsenic transformation}, journal = {Journal of Hazardous Materials}, volume = {318}, year = {2016}, month = {NOV}, pages = {742-750}, abstract = {The metalloid arsenic predominantly exists in the arsenite [As(III)] and arsenate [As(V)]. These two forms are respectively oxidized and reduced by microbial redox processes. This study was designed to bioprospect arsenic tolerating bacteria from Lonar lake and to characterize their arsenic redoxing ability. Screening of sixty-nine bacterial species isolated from Lonar lake led to identification of three arsenic oxidizing and seven arsenic-reducing species. Arsenite oxidizing isolate Roseomonas sp. L-159a being closely related to Roseomonas cervicalis ATCC 49957 oxidized 2 mM As(III) in 60 h. Gene expression of large and small subunits of arsenite oxidase respectively showed 15- and 17-fold higher expression. Another isolate Nocardioides sp. L-37a formed a clade with Nocardioides ghangwensis JC2055, exhibited normal growth with different carbon sources and pH ranges. It reduced 2 mM As(V) in 36 h and showed constitutive expression of arsenate reductase which increased over 4-fold upon As(V) exposure. Genetic markers related to arsenic transformation were identified and characterized from the two isolates. Moderate resistance against the arsenicals was exhibited by the two isolates in the range of 1-5 mM for As(III) and 1-200 mM for As(V). Altogether we provide multiple evidences to indicate that Roseomonas sp. and Nocardioides sp. exhibited arsenic transformation ability. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jhazmat.2016.07.062}, author = {Bagade, Aditi V. and Bachate, Sachin P. and Dholakia, Bhushan B. and Giri, Ashok P. and Kodam, Kisan M.} } @article { ISI:000378450800001, title = {Characterization of two coleopteran alpha-amylases and molecular insights into their differential inhibition by synthetic alpha-amylase inhibitor, acarbose}, journal = {Insect Biochemistry and Molecular Biology}, volume = {74}, year = {2016}, month = {JUL}, pages = {1-11}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Post-harvest insect infestation of stored grains makes them unfit for human consumption and leads to severe economic loss. Here, we report functional and structural characterization of two coleopteran alpha-amylases viz. Callosobruchus chinensis alpha-amylase (CcAmy) and Tribolium castaneum alpha-amylase (TcAmy) along with their interactions with proteinaceous and non-proteinaceous alpha-amylase inhibitors. Secondary structural alignment of CcAmy and TcAmy with other coleopteran alpha-amylases revealed conserved motifs, active sites, di-sulfide bonds and two point mutations at spatially conserved substrate or inhibitor binding sites. Homology modeling and molecular docking showed structural differences between these two enzymes. Both the enzymes had similar optimum pH values but differed in their optimum temperature. Overall, pattern of enzyme stabilities were similar under various temperature and pH conditions. Further, CcAmy and TcAmy differed in their substrate affinity and catalytic efficiency towards starch and amylopectin. HPLC analysis detected common amylolytic products like maltose and maltotriose while glucose and malto-tetrose were unique in CcAmy and TcAmy catalyzed reactions respectively. At very low concentrations, wheat alpha-amylase inhibitor was found to be superior over the acarbose as far as complete inhibition of amylolytic activities of CcAmy and TcAmy was concerned. Mechanism underlying differential amylolytic reaction inhibition by acarbose was discussed. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Acarbose, alpha-amylase, alpha-amylase inhibitor, Callosobruchus chinensis, Coleoptera, Tribolium castaneum}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2016.04.009}, author = {Channale, Sonal M. and Bhide, Amey J. and Yadav, Yashpal and Kashyap, Garima and Pawar, Pankaj K. and Maheshwari, V. L. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @article { ISI:000369482100014, title = {Characterizing the nanoclay induced constrained amorphous region in model segmented polyurethane-urea/clay nanocomposites and its implications on gas barrier properties}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {3}, year = {2016}, month = {JAN}, pages = {1487-1499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

There has been an increasing recognition of the fact that purely geometric factors associated with clay platelet dispersion in a polymer matrix cannot adequately explain the barrier properties of polymer/clay nanocomposites. The objective of the present work is to understand the nanoclay induced structural changes in a polyurethane-urea matrix and clay dispersion at different length scales using segment-specific characterization techniques and implications of the same in gas barrier properties using He, N-2 and CO2 as probe molecules. Wide angle X-ray diffraction (WAXD) and positron annihilation life time spectroscopy (PALS) studies revealed nanoclay induced alterations in the chain packing of the amorphous soft segments of the polyurethane matrix at a molecular scale of a few Angstroms. The hard segment organization and the phase morphology of the nanocomposites, spanning length scales of several nanometers, were investigated by small angle X-ray scattering (SAXS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). Furthermore, the presence of a constrained amorphous region surrounding the nanoclay was confirmed from AFM, WAXD and PALS results. Several pertinent structural variables from the gas transport point of view were deduced from these characterization techniques to understand the effect of the barrier properties in tandem with the clay dispersion morphology.

}, issn = {1463-9076}, doi = {10.1039/c5cp05260b}, author = {Rath, Sangram K. and Sudarshan, Kathi and Bhavsar, Rupesh S. and Kharul, Ulhas K. and Pujari, Pradeep K. and Patri, Manoranjan and Khakhar, Devang V.} } @article { ISI:000375969000056, title = {Charge delocalization in the cascade band structure CdS/CdSe and CdS/CdTe core-shell sensitized with Re(I)-polypyridyl complex}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10051-10061}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Charge-carrier dynamics of CdS quantum dot (QD) and CdS/CdSe type-I and CdS/CdTe type-II core shell nanocrystals (NCs) sensitized with a Re(I)-polypyridyl complex have been carried with special emphasis on studies on carrier delocalization and the role of Re-complex as a hole acceptor and sensitizer molecule. Our investigation confirmed photoexcited hole transfer from CdS and CdS/CdSe to the Re-complex, while no hole transfer was observed in the CdS/CdTe Re-complex system. This was rationalized by the evaluation of the relative energy levels, which revealed that such hole migration was not energetically favorable due to low-lying highest occupied molecular orbital (HOMO) of the Re-complex as compared with the valence band (VB) of CdTe shell; however, luminescence quenching from upper excited states of Re-complex was observed in the presence of all three QD and core shell systems, which has been attributed to electron injection from hot state (energetically higher than the LUMO state) of the Re-complex to the conduction band (CB) of the QDs. Transient absorption (lambda(pump) = 400 nm, lambda(probe) = 450-750 nm) spectra recorded for Re complex-sensitized CdS and CdS/CdSe composite in the femtosecond time domain revealed a broad transient absorption band in the 580-750 nm region with a peak around 595 nm, and this was attributed to the cation radical formation for Re-complex, either by capturing photoexcited hole from the NCs or by injecting electron to the CB of the NCs. As anticipated, no such spectrum was observed for the CdS/CdTe Re-complex composite system after 400 nm excitation. Electron injection from photoexcited Re-complex to CdS QD and CdS/CdSe core shell was found to be \<100 fs, while the hole transfer from photoexcited CdS QD and CdS/CdSe core shell to Re-complex took place within the time scale of 900 fs and 2.5 ps, respectively.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b01654}, author = {Maity, Partha and Debnath, Tushar and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article {43415, title = {Chemically delaminated free-standing ultrathin covalent organic nanosheets}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {DEC}, pages = {15604-15608}, abstract = {Covalent organic nanosheets (CONs) are a new class of porous thin two-dimensional (2D) nanostructures that can be easily designed and functionalized and could be useful for separation applications. Poor dispersion, layer restacking, and difficult postsynthetic modifications are the major hurdles that need to be overcome to fabricate scalable CON thin films. Herein, we present a unique approach for the chemical exfoliation of an anthracene-based covalent organic framework (COF) to N-hexylmaleimide-functionalized CONs, to yield centimeter-sized free-standing thin films through layer-by-layer CON assembly at the air-water interface. The thinlayer fabrication technique presented here is simple, scalable, and does not require any surfactants or stabilizing agents.}, doi = {10.1002/anie.201607812}, author = {Khayum, M. Abdul and Kandambeth, Sharath and Mitra, Shouvik and Nair, Sanoop B. and Das, Anuja and Nagane, Samadhan S. and Mukherjee, Rabibrata and Banerjee, Rahul} } @article { ISI:000373163100005, title = {Chemically stable covalent organic framework (COF)-polybenzimidazole hybrid membranes: enhanced gas separation through pore modulation}, journal = {Chemistry-A European Journal}, volume = {22}, number = {14}, year = {2016}, month = {MAR}, pages = {4695-4699}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Highly flexible, TpPa-1@PBI-BuI and TpBD@PBI-BuI hybrid membranes based on chemically stable covalent organic frameworks (COFs) could be obtained with the polymer. The loading obtained was substantially higher (50\%) than generally observed with MOFs. These hybrid membranes show an exciting enhancement in permeability (about sevenfold) with appreciable separation factors for CO2/N-2 and CO2/CH4. Further, we found that with COF pore modulation, the gas permeability can be systematically enhanced.

}, keywords = {covalent organic frameworks, Gas separation, membranes, microporous materials, pore modulation}, issn = {0947-6539}, doi = {10.1002/chem.201504836}, author = {Biswal, Bishnu P. and Chaudhari, Harshal D. and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000380250800021, title = {Chemoenzymatic access to (+)-artabotriol and its application in collective synthesis of (+)-grandiamide D, (-)-tulipalin B, (+)-spirathundiol, and (+)-artabotriolcaffeate}, journal = {Synthesis-Stuttgart}, volume = {48}, number = {13}, year = {2016}, month = {JUL}, pages = {2130-2136}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from dimethyl (+/-)-2-hydroxy-3-methylenesuccinnate chemoenzymatic collective formal/total synthesis of enantiomerically pure bioactive natural products has been described via the advanced level common precursor (+)-artabotriol. An efficient enzymatic resolution with high enantiomeric purity, selective diester to diol reduction, and requisite dehydrative coupling reactions without any racemization are the significant topographies.

}, keywords = {(+)-artabotriol, collective synthesis, coupling reactions, dimethyl (+/-)-2-hydroxy-3-methylenesuccinate, Enzymatic resolution, Natural products, reduction}, issn = {0039-7881}, doi = {10.1055/s-0035-1561588}, author = {Batwal, Ramesh U. and N. P. Argade} } @article {43425, title = {CO2 Laser direct written MOF-based metal-decorated and heteroatom-doped porous graphene for flexible all-solid-state microsupercapacitor with extremely high cycling stability}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {31841-31848}, abstract = {Over the past decade, flexible and wearable microelectronic devices and systems have gained significant importance. Because portable power source is an essential need of such wearable devices, currently there is considerable research emphasis on the development of planar interdigitated micro energy-torage devices by employing diverse precursor materials to obtain functional materials (functional carbon, oxides, etc.) with the desirable set of properties. Herein we report for the first time the use of metal organic framework (MOF) and zeolitic imidazolate framework (ZIF-67) for high-wavelength photothermal laser direct writing of metal-decorated, heteroatom-doped, porous few-layer graphene electrodes for microsupercapacitor application. We argue that the specific attributes of MOF as a precursor and the high-wavelength laser writing approach (which creates extremely high localized and transient temperature (>2500 degrees C) due to strong absorption by lattice vibrations) are together responsible for the peculiar interesting properties of the carbon material thus synthesized, thereby rendering extremely high cycling stability to the corresponding microsupercapacitor device. Our device exhibits near 100\% retention after 200 000 cycles as well as stability under 150 degrees bending.}, doi = {10.1021/acsami.6b10193}, author = {Basu, Aniruddha and Roy, Kingshuk and Sharma, Neha and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Rane, Sunit and Rode, Chandrashekhar V. and Ogale, Satishchandra B.} } @article {42695, title = {Cobalt-catalyzed bis-alkynylation of amides via double C{\textendash}H bond activation}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {FEB}, pages = {812{\textendash}815}, abstract = {

The first example of cobalt-catalyzed selective bis-alkynylation of amides via double C{\textendash}H bond activation with the directing assistance of a removable bidentate auxiliary is reported. The developed alkynylation strategy is simple, efficient, and tolerant of various functional groups including ether, amine, halides, and heterocyclic motifs. The reaction can be scaled up under mild conditions.

}, doi = {10.1021/acs.orglett.6b00095}, author = {Landge, Vinod Gokulkrishna and Jaiswal, Garima and Balaraman, Ekambaram} } @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 { ISI:000374440100005, title = {Colloidal assembly by ice templating}, journal = {Faraday Discussions}, volume = {186}, year = {2016}, month = {OCT}, pages = {61-76}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We investigate ice templating of aqueous dispersions of polymer coated colloids and crosslinkers, at particle concentrations far below that required to form percolated monoliths. Freezing the aqueous dispersions forces the particles into close proximity to form clusters, that are held together as the polymer chains coating the particles are crosslinked. We observe that, with an increase in the particle concentration from about 106 to 108 particles per ml, there is a transition from isolated single particles to increasingly larger clusters. In this concentration range, most of the colloidal clusters formed are linear or sheet like particle aggregates. Remarkably, the cluster size distribution for clusters smaller than about 30 particles, as well as the size distribution of linear clusters, is only weakly dependent on the dispersion concentration in the range that we investigate. We demonstrate that the main features of cluster formation are captured by kinetic simulations that do not consider hydrodynamics or instabilities at the growing ice front due to particle concentration gradients. Thus, clustering of colloidal particles by ice templating dilute dispersions appears to be governed only by particle exclusion by the growing ice crystals that leads to their accumulation at ice crystal boundaries.

}, issn = {1359-6640}, doi = {10.1039/c5fd00125k}, author = {Kumaraswamy, Guruswamy and Biswas, Bipul and Choudhury, Chandan Kumar} } @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:000381384300031, title = {Composition dependence of the glass forming ability in binary mixtures: the role of demixing entropy}, journal = {Journal of Chemical Physics}, volume = {145}, number = {3}, year = {2016}, month = {JUL}, pages = {Article Number: 034503}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique show that the free energy cost to create a CsCl nucleus increases as the composition of the smaller particles is decreased. We find that systems with comparatively lower free energy cost to form CsCl nucleus exhibit more pronounced pre-crystalline demixing near the liquid/crystal interface. The structural frustration between the CsCl and fcc crystal demands this demixing. We show that closer to the equimolar mixture, the entropic penalty for demixing is lower and a glass forming system may crystallize when seeded with a nucleus. This entropic penalty as a function of composition shows a non-monotonic behaviour with a maximum at a composition similar to the well known Kob-Anderson (KA) model. Although the KA model shows the maximum entropic penalty and thus maximum frustration against CsCl formation, it also shows a strong tendency towards crystallization into fcc lattice of the larger {\textquoteleft}{\textquoteleft}A{\textquoteright}{\textquoteright} particles which can be explained from the study of the energetics. Thus for systems closer to the equimolar mixture although it is the requirement of demixing which provides their stability against crystallization, for KA model it is not demixing but slow dynamics and the presence of the {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} particles make it a good glass former. The locally favoured structure around {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} particles is quite similar to the CsCl structure and the incompatibility of CsCl and fcc hinders the fcc structure growth in the KA model. Although the glass forming binary systems studied here are quite similar, differing only in composition, we find that their glass forming ability cannot be attributed to a single phenomenon. Published by AIP Publishing.

}, issn = {0021-9606}, doi = {10.1063/1.4958630}, author = {Nandi, Ujjwal Kumar and Banerjee, Atreyee and Chakrabarty, Suman and Bhattacharyya, Sarika Maitra} } @article {42692, title = {Conformational features of the Aβ42 peptide monomer and its interaction with the surrounding solvent}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {30144-30159}, doi = {10.1039/C6CP04925G}, author = {Khatua, Prabir and Jose, Jaya C. and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article { ISI:000366859200017, title = {Conjugated porous polymers as precursors for electrocatalysts and storage electrode materials}, journal = {Chemical Communications}, volume = {52}, number = {2}, year = {2016}, month = {OCT}, pages = {316-318}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conjugated porous polymers were used as precursors to prepare nitrogen and sulphur doped carbon atoms, which were then used for oxygen reduction and energy storage.

}, issn = {1359-7345}, doi = {10.1039/c5cc08148c}, author = {Bhosale, Manik E. and Illathvalappil, Rajith and Kurungot, Sreekumar and Krishnamoorthy, Kothandam} } @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 {45827, title = {Coordination polymers of Fe(III) and Al(III) ions with TCA ligand: distinctive fluorescence, CO2 uptake, redox-activity and oxygen evolution reaction}, journal = {Dalton Transactions}, volume = {45}, year = {2016}, month = {FEB}, pages = {6901-6908}, type = {Article}, abstract = {

Fe and Al belong to different groups in the periodic table, one from the p-block and the other from the d-block. In spite of their different groups, they have the similarity of exhibiting a stable 3+ oxidation state. Here we have prepared Fe(III) and Al(III) based coordination polymers in the form of metal-organic gels with the 4,4{\textquoteright}, 4 {\textquoteleft}{\textquoteright}-tricarboxyltriphenylamine (TCA) ligand, namely Fe-TCA and Al-TCA, and evaluated some important physicochemical properties. Specifically, the electrical conductivity, redox-activity, porosity, and electrocatalytic activity (oxygen evolution reaction) of the Fe-TCA system were noted to be remarkably higher than those of the Al-TCA system. As for the photophysical properties, almost complete quenching of the fluorescence originating from TCA was observed in case of the Fe-TCA system, whereas for the Al-TCA system a significant retention of fluorescence with red-shifted emission was observed. Quantum mechanical calculations based on density functional theory (DFT) were performed to unravel the origin of such discriminative behaviour of these coordination polymer systems.

}, issn = {1477-9226}, doi = {10.1039/c6dt00009f}, author = {Dhara, Barun and Sappati, Subrahmanyam and Singh, Santosh K. and Kurungot, Sreekumar and Ghosh, Prasenjit and Ballav, Nirmalya} } @article { ISI:000375631300006, title = {Correlating Nitrile IR frequencies to local electrostatics quantifies noncovalent interactions of peptides and proteins}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {17}, year = {2016}, month = {MAY}, pages = {4034-4046}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Noncovalent interactions, in particular the hydrogen bonds and nonspecific long-range electrostatic interactions are fundamental to biomolecular functions. A molecular understanding of the local electrostatic environment, consistently for both specific (hydrogen-bonding) and nonspecific electrostatic (local polarity) interactions, is essential for a detailed understanding of these processes. Vibrational Stark Effect (VSE) has proven to be an extremely useful method to measure the local electric field using infrared spectroscopy of carbonyl and nitrile based probes. The nitrile chemical group would be an ideal choice because of its absorption in an infrared spectral window transparent to biomolecules, ease of site-specific incorporation into proteins, and common occurrence as a substituent in various drug molecules. However, the inability of VSE to describe the dependence of IR frequency on electric field for hydrogen-bonded nitriles to date has severely limited nitrile{\textquoteright}s utility to probe the noncovalent interactions. In this work, using infrared spectroscopy and atomistic molecular dynamics simulations, we have reported for the first time a linear correlation between nitrile frequencies and electric fields in a wide range of hydrogen-bonding environments that may bridge the existing gap between VSE and H-bonding interactions. We have demonstrated the robustness of this field-frequency correlation for both aromatic nitriles and sulfur-based nitriles in a wide range of molecules of varying size and compactness, including small molecules in complex solvation environments, an amino acid, disordered peptides, and structured proteins. This correlation, when coupled to VSE, can be used to quantify noncovalent interactions, specific or nonspecific, in a consistent manner.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b02732}, author = {Deb, Pranab and Haldar, Tapas and Kashid, Somnath M. and Banerjee, Subhrashis and Chakrabarty, Suman and Bagchi, Sayan} } @article {45645, title = {Counteranion driven homochiral assembly of a cationic C-3-symmetric gelator through ion-pair assisted hydrogen bond}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {SEP }, pages = {11113-11116}, type = {Article}, abstract = {

The helical handedness in achiral self-assemblies is mostly complex due to spontaneous symmetry breaking or kinetically controlled random assembly formation. Here an attempt has been made to address this issue through chiral anion exchange. A new class of cationic achiral C-3-symmetric gelator devoid of any conventional gelation assisting functional units is found to form both right-and left-handed helical structures. A chiral counteranion exchange-assisted approach is successfully introduced to control the chirality sign and thereby to obtain preferred homochiral assemblies. Formation of anion-assisted chiral assembly was confirmed by circular dichroism (CD) spectroscopy, microscopic images, and crystal structure. The X-ray crystal structure reveals the construction of helical assemblies with opposite handedness for (+)- and (-)-chiral anion reformed gelators. The appropriate counteranion driven ion-pair-assisted hydrogen-bonding interactions are found responsible for the helical bias control in this C-3-symmetric gelator.

}, issn = {0002-7863}, doi = {10.1021/jacs.6b06312}, author = {Maity, Arunava and Gangopadhyay, Monalisa and Basu, Arghya and Aute, Sunil and Babu, Sukumaran Santhosh and Das, Amitava} } @article {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 {43030, title = {Decoding the morphological diversity in two dimensional crystalline porous polymers by core planarity modulation}, journal = {Angewandte Chemie - International Edition}, volume = {55}, year = {2016}, month = {JUN}, pages = {7806-7810}, doi = {10.1002/anie.201600087}, author = {Halder, Arjun and Kandambeth, Sharath and Biswal, Bishnu P. and Kaur, Gagandeep and Roy, Neha Chaki and Addicoat, Matthew A. and Salunke, Jagadish K. and Banerjee, Subhrashis and Vanka, Kumar and Heine, Thomas and Verma, Sandeep and Banerjee, Rahul} } @article { ISI:000370450600006, title = {Diastereoselective synthesis of beta-ether derivatives of artemisinin, an antimalarial drug: the effect of nitrile on stereoselectivity}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {2}, year = {2016}, month = {FEB}, pages = {201-206}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Malaria is a life-threatening disease affecting a major portion of the world{\textquoteright}s population with considerable loss of human life. Artemisinin, isolated from Artemisia annua, its oil- and water-soluble derivatives, and other known antimalarials are recommended for artemisinin combination therapy by the World Health Organization. We have established a method for the stereoselective synthesis of beta-ether derivatives of dihydroartemisinin in high yield and high diastereoselectivity. The reaction either in acetonitrile or dichloromethane/trichloroacetonitrile (6:1) mixtures at 0 degrees C or room temperature, respectively, furnished the antimalarial drugs artemether 3 or arteether 4 in high yield with a high diastereomeric ratio. The effect the nitrile has on the yield and stereoselectivity is mechanistically explained.

}, keywords = {antimalarials, arteethers, artemisinin, nitriles, trichloroacetimidates}, issn = {2193-5807}, doi = {10.1002/ajoc.201500415}, author = {Chand, Hemender R. and Bhattacharya, Asish K.} } @article { ISI:000376479400017, title = {Dietary flaxseed oil and fish oil ameliorates renal oxidative stress, protein glycation, and inflammation in streptozotocin-nicotinamide-induced diabetic rats}, journal = {Journal of Physiology and Biochemistry}, volume = {72}, number = {2}, year = {2016}, month = {JUN}, pages = {327-336}, publisher = {SERVICIO PUBLICACIONES UNIVERSIDAD NAVARRA}, address = {CAMPUS UNIV, CARRETERA DEL SADAR S-N, APARTADO 177, 31080 PAMPLONA, SPAIN}, abstract = {

Protective and prophylactic effects of omega-3 fatty acids on oxidative stress and inflammation are well known. We assessed beneficial effects of flaxseed oil and fish oil on streptozotocin (65 mg/kg; i.p.)-nicotinamide (110 mg/kg; i.p.) induced diabetic rats by studying renal expression of antioxidant and inflammatory genes. Diabetic rats given 10 \% flaxseed oil or 10 \% fish oil diet for 35 days showed significant decrease in renal lipid peroxidation. Flaxseed oil diet resulted in up-regulation of renal superoxide dismutase-1 (SOD-1) (activity and expression) and glutathione peroxidase-1 (GPx-1) expression. Furthermore, both diets up-regulated catalase (CAT) (activity and expression) and down-regulated heme oxygenase-1 (HO-1) expression. Both diets were able to limit the renal advanced glycation end products (AGEs) formation and reduced receptor of AGE (RAGE) protein expression significantly. Expressions of interleukin-6 (IL-6) and NF-kappa B p65 subunit were down-regulated significantly by flaxseed oil or fish oil diet. The histological tubular injuries were also lowered by both diets. These results suggest that dietary omega-3 fatty acids may slow the progression of diabetic nephropathy (DN) associated with oxidative stress, glycation, and inflammation in the kidney.

}, keywords = {Diabetes, Fish oil, Flaxseed oil, Glycation, Kidney, Streptozotocin}, issn = {1138-7548}, doi = {10.1007/s13105-016-0482-8}, author = {Jangale, Nivedita M. and Devarshi, Prasad P. and Bansode, Sneha B. and Kulkarni, Mahesh J. and Harsulkar, Abhay M.} } @article { ISI:000371228200017, title = {Differentiating process performance of various coagulants in removal of congo red and orange G dyes}, journal = {International Journal of Chemical Reactor Engineering}, volume = {14}, number = {1}, year = {2016}, month = {FEB}, pages = {195-211}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

Two refractory azo dyes-Congo red and Orange G, especially at high concentrations were subjected to coagulation with different conventional coagulants and newer formulations developed from Aluminum sulfate, Iron (III) chloride, Aluminium chloride, Poly diallydimethylammonium chloride (Poly DADMAC) and Poly Aluminium Chloride (PAC). The highest COD reduction of 99 \% was obtained with PAC SAB 18 (Powder Grade PAC) for Congo red at pH 4.5 while the color removal of 99 \% was achieved with almost all the coagulants in the present study at specific pH within 3-8. The optimum dose for the iron-based coagulant is 200 mg/L while that of aluminum-based coagulants and PAC is 150-200 mg/L. Results showed that Orange G was more difficult to remove with a maximum COD removal of 65 \% and 35 \% color removal using various formulations. The combinational formulations of inorganic-inorganic and inorganic- organic produced a substantial enhancement in COD and color removal and reduced sludge. PAC-Fe30/70 produces the minimum sludge of 50 mL/g on Congo red. pH in the range 3-9 showed high reductions in COD and color (90-99 \%) for Congo red while jerky rise in COD and color reduction was observed in the case of Orange G after pH 9. An attempt to understand the dye coagulation mechanism has been made based on the specific difference in dye structure and cation speciation.

}, keywords = {coagulation, Congo red, dye removal, Orange G, Wastewater treatment}, issn = {2194-5748}, doi = {10.1515/ijcre-2015-0083}, author = {Prajapati, Kavita and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Killedar, D. J. and Ranade, Vivek V.} } @conference {45852, title = {Diversity of arsenic resistant bacteria from Lonar lake: A meteorite impact alkaline crater lake in Indi}, booktitle = {Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016}, year = {2016}, month = {JUN}, publisher = {CRC Press/Balkema}, organization = {CRC Press/Balkema}, address = {Stockholm; Sweden}, abstract = {Lonar lake known for its meteorite impact origin and highly alkaline environment harbors a plethora of diverse organisms. Arsenic transforming microbe diversity from Lonar remains unexplored. We attempted to explore the microorganisms causing arsenic transformation using culture-dependent and independent approaches. Amongst the 67 microbes isolated, Bacillus infantis L4-18 and Bacillus solimangrovi L4-7b could oxidise 15 mM arsenite in 8 days. None of the cultures could reduce arsenate. All the other isolates resisted 2 mM arsenic. In the culture independent approach, microbial diversity revealed Bacteroides (41.9\%), followed by Proteobacteria (17.9\%), Firmicutes (14.2\%), Actinobacteria (13.9\%), occurring in the Lonar sediment sample. This study provides foundation to study microbial arsenic biogeochemical cycle along with other biochemical cycles and microbial function in Lonar lake eco system.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85017026744\&origin=inward\&txGid=63266bcb17f730d2678898ea486dffa6}, author = {Bagade, A. V. and Paul, D. and Rikame, T. and Giri, A. P. and Dhotre, D. and Pawar, S. and Kodam, K.} } @article { ISI:000377374500003, title = {Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study}, journal = {Journal of Molecular Modeling}, volume = {22}, number = {6}, year = {2016}, month = {JUN}, pages = {121}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as pi-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and pi-conjugation on solar cell performance. The calculated electron-injection driving force (Delta G(inject)), electron-regeneration driving force (Delta G(regen)), light-harvesting efficiency (LHE), dipole moment (mu(normal)), and number of electrons transferred (Delta q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system.

}, keywords = {DFT, Dye-sensitized solar cells, Organic dyes, Position effect, TD-DFT}, issn = {1610-2940}, doi = {10.1007/s00894-016-2976-2}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Das, Amitava and Ganguly, Bishwajit} } @article {43389, title = {Dynamic, reversible oxidative addition of highly polar bonds to a transition metal}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {DEC}, pages = {16140-16147}, abstract = {The combination of Pt complexes and indium trihalides leads to compounds that form equilibria in solution between their In X oxidative addition (OA) products (Pt indyl complexes) and their metal-only Lewis pair (MOLP) isomers (LnPt -> InX3). The position of the equilibria can be altered reversibly by changing the solvent, while the equilibria can be reversibly and irreversibly driven toward the MOLP products by addition of further donor ligands. The results mark the first observation of an equilibrium between MOLP and OA isomers, as well as the most polar bond ever observed to undergo reversible oxidative addition to a metal complex. In addition, we present the first structural characterization of MOLP and oxidative addition isomers of the same compound. The relative energies of the MOLP and OA isomers were calculated by DFT methods, and the possibility of solvent-mediated isomerization is discussed.}, doi = {10.1021/jacs.6b10609}, author = {Bertermann, Ruediger and Boehnke, Julian and Braunschweig, Holger and Dewhurst, Rian D. and Kupfer, Thomas and Muessig, Jonas H. and Pentecost, Leanne and Radacki, Krzysztof and Sen, Sakya S. and Vargas, Alfredo} } @article { ISI:000367235100139, title = {Effect of different fixed bed media on the performance of sodium dodecyl sulfate for hydrate based CO2 capture}, journal = {Materials \& Design}, volume = {90}, year = {2016}, month = {JAN}, pages = {1186-1191}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Sodium Dodecyl Sulfate (SDS) is used as a kinetic promoter in gas hydrate formation. In this work, the performance of SDS for carbon dioxide gas hydrate formation in two different fixed bed media: silica sand and zeolite (5A and 13X) has been evaluated. The concentration of SDS was fixed at 0.5 wt\%. The experiments were carried out in batch mode with the initial pressure fixed at 3.0 MPa, and the temperature kept constant at 274.65 K. The results showed that hydrate of carbon dioxide with fixed bed of silica sand was significantly promoted by the addition of SDS as compared to the other fixed bed medium used in this study: zeolite 13X. (c) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide, Fixed bed media, Hydrate formation, Kinetic promoter, Silica sand, Zeolite 5A and 13X}, issn = {0261-3069}, doi = {10.1016/j.matdes.2015.06.049}, author = {Arora, Amit and Kumar, Asheesh and Bhattacharjee, Gaurav and Kumar, Pushpendra and Balomajumder, Chandrajit} } @conference { ISI:000375945500074, title = {Effect of sintering temperature and vinca petals extract on structural and magnetic properties of delafossite CuFeO2}, booktitle = {International Conference On Condensed Matter and Applied Physics (ICC 2015)}, series = {AIP Conference Proceedings}, volume = {1728}, year = {2016}, note = {International Conference on Condensed Matter and Applied Physics (ICC), Bikaner, INDIA, OCT 30-31, 2015}, month = {MAY}, pages = {020074}, publisher = {Govt Engn Coll}, organization = {Govt Engn Coll}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

Delathssite CuFeO2, multi ferroic powder was synthesized using Sol-Gel auto combustion method. Influence of vinea flower petals extract on structural and magnetic properly of CuFeO2 were investigated. X-ray analysis of normal samples (synthesized without presence of vinca petals extract) shows formation of hematite and ferrite phases while the sample synthesized in presence of vinca petals extract show only mono phase. The absorption bands in FTIR spectra present between 510-460 cm(-1)in both the samples are due to stretching of Fe-O vibrations. VSM analysis shows that the squareness ratio (Mr/Ms) of the sample prepared using vinca petals extract obtains value of squareness ratio \<0.5, which attributes multi domain formation of samples.

}, isbn = {978-0-7354-1375-7}, issn = {0094-243X}, doi = {10.1063/1.4946125}, author = {Dhruv, Preksha N. and Solanki, Neha and Kulkarni, Shailja and Jotania, R. B.}, editor = {Shekhawat, MS and Bhardwaj, S. and Suthar, B.} } @article { ISI:000376417400010, title = {Effect of solvation on electron detachment and excitation energies of a green fluorescent protein chromophore variant}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {19}, year = {2016}, month = {MAY}, pages = {4410-4420}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hybrid quantum mechanics/molecular mechanics (QM/MM) is applied to the fluorinated green fluorescent protein (GFP) chromophore (DFHBDI) in its deprotonated form to understand the solvatochromic shifts in its vertical detachment energy (VDE) and vertical excitation energy (VEE). This variant of the GFP chromophore becomes fluorescent in an RNA environment and has a wide range of applications in biomedical and biochemical fields. From microsolvation studies, we benchmark (with respect to full QM) the accuracy of our QM/MM calculations with effective fragment potential (EFP) as the MM method of choice. We show that while the solvatochromic shift in the VEE is minimal (0.1 eV blue shift) and its polarization component is only 0.03 eV, the effect of the solvent on the VDE is quite large (3.85 eV). We also show by accurate calculations on the solvatochromic shift of the VDE that polarization accounts for similar to 0.23 eV and therefore cannot be neglected. The effect of the counterions on the VDE of the deprotonated chromophore in solvation is studied in detail, and a charge-smearing scheme is suggested for charged chromophores.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b03723}, author = {Bose, Samik and Chakrabarty, Suman and Ghosh, Debashree} } @article {45648, title = {Effect of the amino acid L-histidine on methane hydrate growth kinetics}, journal = {Journal of Natural Gas Science and Engineering}, volume = {35}, year = {2016}, month = {SEP}, pages = {1453-1462}, type = {Article}, abstract = {

In the present study, the effect of a polar amino acid, L-histidine on methane hydrate growth kinetics has been investigated. Methane hydrate formation experiments were carried out in a stirred tank reactor setup at pressure and temperature conditions of 274.15 K and 5.0 MPa respectively. Two different concentrations (0.1 and 1 wt \%) of L-histidine were studied. Hydrate growth through molecular dynamic (MD) simulation was also studied; pressure and temperature conditions for the simulations were set at 10.0 MPa and 270.0 K, while the concentration of L-histidine was kept fixed at 0.94 wt \%. Hydrate formation runs using MD simulation were carried out with optimal concentration of methane in water. The presence of L-histidine in the system was found to significantly enhance methane hydrate growth kinetics as compared to pure water for both experimental and MD simulation runs. Final gas consumption with 1 wt \% L-histidine was found to be comparable to that with 1 wt \% SDS, the most commonly used additive for hydrate promotion studies. L-histidine is a benign additive which offers considerable enhancement in methane hydrate formation kinetics and can be utilized for various hydrate based technologies such as methane storage and transport. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Amino acid, Crystal growth, Gas hydrate, kinetics, Molecular dynamic simulation}, issn = {1875-5100}, doi = {10.1016/j.jngse.2016.05.052}, author = {Bhattacharjee, Gaurav and Choudhary, Nilesh and Kumar, Asheesh and Chakrabarty, Suman and Kumar, Rajnish} } @article { ISI:000381384300030, title = {Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities}, journal = {Journal of Chemical Physics}, volume = {145}, number = {3}, year = {2016}, month = {JUL}, pages = {Article Number: 034502}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density. Published by AIP Publishing.

}, issn = {0021-9606}, doi = {10.1063/1.4958627}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article { 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:000373519600016, title = {Efficient strategy for the construction of both enantiomers of the octahydropyrroloquinolinone ring system: total synthesis of (+)-aspidospermidine}, journal = {Organic Letters}, volume = {18}, number = {7}, year = {2016}, month = {APR}, pages = {1558-1561}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient and highly stereoselective intramolecular [3 + 2] cycloaddition of nonstabilized azomethine ylide generated from a designed bicyclic aminal precursor is reported for the synthesis of both (-)- and (+)-octahy-dropyrroloquinolinone. One of the enantiomers is further advanced to accomplish the total synthesis of (+)-aspidospermidine.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00374}, author = {Pandey, Ganesh and Burugu, Shiva Kumar and Singh, Pushpendra} } @article { ISI:000378196000019, title = {Electrostatic interactions are key to C=O n-pi* shifts: an experimental proof}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, number = {12}, year = {2016}, month = {JUN}, pages = {2270-2275}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Carbonyl n-pi* transitions are known to undergo blue shift in polar and hydrogen-bonding solvents. Using semiempirical expressions, previous studies hypothesized several factors like change in dipole moment and hydrogen-bond strength upon excitation to cause the blue shift. Theoretically, ground-state electrostatics has been predicted to be the key to the observed shifts, however, an experimental proof has been lacking. Our experimental results demonstrate a consistent linear correlation between IR (ground-state phenomenon) and n-pi* frequency shifts (involves both ground and excited electronic-states) of carbonyls in hydrogen-bonded and non-hydrogen-bonded environments. The carbonyl hydrogen-bonding status is experimentally verified from deviation in n-pi*/fluorescence correlation. The IR/n-pi* correlation validates the key role of electrostatic stabilization of the ground state toward n-pi* shifts and demonstrates the electrostatic nature of carbonyl hydrogen bonds. n-pi* shifts show linear sensitivity to calculated electrostatic fields on carbonyls. Our results portray the potential for n-pi* absorption to estimate local polarity in biomolecules and to probe chemical reactions involving carbonyl activation/stabilization.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.6b01052}, author = {Haldar, Tapas and Bagchi, Sayan} } @article {42425, title = {Employing arynes in diels{\textendash}alder reactions and transition-metal-free multicomponent coupling and arylation reactions}, journal = {Accounts of Chemical Research}, volume = {49}, year = {2016}, month = {SEP}, pages = {1658-1670}, abstract = {

Conspectus

Arynes are highly reactive intermediates having several applications in organic synthesis for the construction of various ortho-disubstituted arenes. Traditionally, arynes are generated in solution from haloarenes under strongly basic conditions. However, the scopes of many of the aryne reactions are limited because of the harsh conditions used for their generation. The renaissance of interest in aryne chemistry is mainly due to the mild conditions for their generation by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates. This Account is focused on the Diels{\textendash}Alder reaction of arynes and their transition-metal-free application in multicomponent couplings as well as arylation reactions.

The Diels{\textendash}Alder reaction of arynes is a powerful tool for constructing benzo-fused carbocycles and heterocycles. In 2012, we developed an efficient, broad-scope, and scalable Diels{\textendash}Alder reaction of pentafulvenes with arynes affording benzonorbornadiene derivatives. Subsequently, we accomplished the Diels{\textendash}Alder reaction of arynes with dienes such as 1,2-benzoquinones and tropones. Moreover, we uncovered a transition-metal-free protocol for the synthesis of 9,10-dihydrophenanthrenes by the reaction of arynes with styrenes that proceeds via a Diels{\textendash}Alder/ene-reaction cascade. In addition, we demonstrated the reaction of arynes with indene/benzofurans, which proceeds via a tandem [4 + 2]/[2 + 2] sequence.

Multicomponent coupling (MCC) involving arynes mainly comprises the initial addition of a nucleophile to the aryne followed by interception of the aryl anion intermediate with an electrophile (provided the nucleophilic and electrophilic moieties do not belong to the same molecule). We have disclosed aryne MCCs initiated by N-heterocycles such as (iso)quinoline, pyridine, and aziridines. When (iso)quinoline is used as the nucleophilic trigger and N-substituted isatin as the third component, the reaction affords spirooxazino(iso)quinolines via 1,4-dipolar intermediates. Unexpectedly, using pyridine affords indolin-2-ones, where the reaction proceeds via the pyridylidene intermediate. Additionally, we developed the phosphine-triggered aryne MCCs for the synthesis of functionalized benzooxaphospholes. In another phase of our work, we studied the synthetic utility of CO2\ as a one-carbon synthon in aryne MCCs for the synthesis of phthalimides.

Engaging arynes as an aryl source is one of the transition-metal-free methods for arylation reactions. We have demonstrated the N-arylation of aromatic tertiary amines and O-arylation of aliphatic alcohols using arynes.

It is anticipated that the chemistry of arynes will continue to prosper and will lead to surprising developments for the synthesis of various 1,2-disubstituted arenes of molecular complexity and structural diversity. Future challenges in this area include the utility of arynes in enantioselective transformations and the synthesis and reactions of exotic heterocyclic arynes.

}, keywords = {2-Benzoquinones; Cycloaddition, Facile N-arylation; O-arylation; One-Pot; Aldehydes; Benzyne; Amines; Heterocycles; Acids; 1}, doi = {10.1021/acs.accounts.6b00188}, author = {Bhojgude, Sachin Suresh and Bhunia, Anup and Biju, Akkattu T.} } @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:000368065300033, title = {Enantioselective synthesis of spirocyclohexadienones by NHC-catalyzed formal [3+3] annulation reaction of enals}, journal = {Angewandte Chemie-International Edition}, volume = {55}, number = {1}, year = {2016}, month = {JAN}, pages = {268-272}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The enantioselective synthesis of pyrazolone-fused spirocyclohexadienones was demonstrated by the reaction of alpha,beta-unsaturated aldehydes with alpha-arylidene pyrazolinones under oxidative N-heterocyclic carbene (NHC) catalysis. This atom-economic and formal [3+3] annulation reaction proceeds through a vinylogous Michael addition/spiroannulation/dehydrogenation cascade to afford spirocyclic compounds with an all-carbon quaternary stereocenter in moderate to good yields and excellent ee values. Key to the success of the reaction is the cooperative NHC-catalyzed generation of chiral alpha,beta-unsaturated acyl azoliums from enals, and base-mediated tandem generation of dienolate/enolate intermediates from pyrazolinones.

}, keywords = {annulation reactions, asymmetric catalysis, N-heterocyclic carbenes, organocatalysis, spiro compounds}, issn = {1433-7851}, doi = {10.1002/anie.201507802}, author = {Yetra, Santhivardhana Reddy and Mondal, Santigopal and Mukherjee, Subrata and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43578, title = {Engineering and in vitro evaluation of acid labile cholesterol tethered MG132 nanoparticle fortargeting ubiquitin-proteasome system in cancer}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5099-5106}, abstract = {In recent years, proteasome has evolved as one of the important alternative targets in cancer chemotherapy. However, selective targeting of proteasome system in cancer cells still remains a major challenge. To address this, a potent peptide based proteasome inhibitor MG132 was chemically conjugated with biocompatible-biodegradable cholesterol by acid cleavable hydrazone linkage. Spherical nanoparticles (MG132-NPs) were engineered from cholesterol-MG132 conjugate. Increased amount of free MG132 was released from these nanoparticles in acidic environment compared to physiological milieu in a slow and controlled manner. These MG132-NPs were taken up by breast cancer MCF7 cells into lysosomes within 6 h. Proteasome system was inhibited by these MG132-NPs leading to stabilization of beta-catenin, cyclin A and cyclin B in HEK-293T cells. Interestingly, MG132-NPs induced much improved cell death in drug resistant MDA-MB-231 cells with insignificant toxicity in healthy cells (HEK293 and L929) even in higher concentration.}, doi = {10.1002/slct.201601117}, author = {Ghosh, Chandramouli and Gupta, Neha and More, Piyush and Sengupta, Poulomi and Mallick, Abhik and Santra, Manas Kumar and Basu, Sudipta} } @article {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 {42693, title = {Expedient cobalt-catalyzed C{\textendash}H alkynylation of (enantiopure) benzylamines}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5252-5255}, abstract = {

A unified strategy for cobalt-catalyzed ortho-C-H bond alkynylation of benzylamines is reported. Simple, commercially available CoBr2 was used as a cobalt source. The developed alkynylation strategy is robust and efficient and has a broad substrate scope including 1 degrees, 2 degrees, and 3 degrees benzylamines. The mechanistic study shows that C-H bond cleavage is reversible, and the kinetic study illustrates that the rate of reaction depends solely on the catalyst.

}, keywords = {Terminal Alkynes; Bond Activation; Directed Functionalization;Aminoquinoline Benzamides; Ortho-C(Sp(2))-H Bonds; Mechanistic Insights; Selective Access; Carbon-Hydrogen; Nickel; Annulation}, doi = {10.1021/acs.orglett.6b02549}, author = {Landge, Vinod Gokulkrishna and Midya, Siba Prasad and Rana, Jagannath and Shinde, Dinesh R. and Balaraman, Ekambaram} } @article {42847, title = {Facile strategy for accessing 3-alkynylchromones through gold-catalyzed alkynylation/cyclization of o-hydroxyarylenaminones}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {SEP}, pages = {12306-12309}, abstract = {

A strategy based on tandem alkynylation of o-hydroxyarylenaminones followed by intramolecular cyclization has been developed to generate a diverse array of 3-alkynyl chromones. The functionality embedded in these key intermediates enables their facile elaboration into more diverse structures by a variety of functionalizations and ring-forming processes.

}, doi = {10.1039/C6CC07119H}, author = {Akram, Manjur O. and Bera, Saibal and Patil, Nitin T.} } @conference {45825, title = {Field emission investigation of composites of polypyrrole with graphene oxide, reduced graphene oxide and graphene nanoribbons}, booktitle = {2016 29th International Vacuum Nanoelectronics Conference (IVNC)}, year = {2016}, month = {JUL}, publisher = {IEEE; IEEE Electron Devices Soc; ZEISS; Modern Electron; Amer Vacuum Soci; Paul Scherrer Inst; Elect \& Comp Engn; Univ British Columbia, Peter Wall Inst Adv Studies; Dept Elect \& Comp Engn}, organization = {IEEE; IEEE Electron Devices Soc; ZEISS; Modern Electron; Amer Vacuum Soci; Paul Scherrer Inst; Elect \& Comp Engn; Univ British Columbia, Peter Wall Inst Adv Studies; Dept Elect \& Comp Engn}, address = {345 E 47th St, New York,NY 10017 USA}, abstract = {

The monomer pyrrole has been polymerized by chemical route in the presence of graphene oxide (GO), reduced graphene oxide (rGO) and graphene nanoribbons (GNR) separately to prepare nanocomposites as Polypyrrole-GO (PGO), PPy-rGO (PRGO), PPy-GNR (PGNR), respectively. The morphological, chemical and structural characterization of the as-synthesized products was carried out using scanning electron microscopy (SEM), Raman and fourier transform infrared (FTIR) spectroscopy. Field emission (FE) studies of PGO, PRGO, PGNR emitters were performed at the base pressure of 1x10(-8) mbar in planar {\textquoteleft}diode{\textquoteright} configuration. Onset and threshold field values corresponding to emission current densities of 1 and 100 mu A/cm(2) are observed to be 1.5 and 2.3V/mu m for PGO, 1.4 and 2.2 V/mu m for PRGO and lowest for PGNR as 0.9 and 1.2V/mu m, respectively. The maximum emission current density of 2.5 mA/cm(2) drawn for PGO at the applied electric field of 3.2V/mu m, 1.2 mA/cm(2) at 3.6V/mu m from the PRGO and 8 mA/cm(2) at the field of 2.2 V/mu m from the PGNR emitters. An emission current versus time (I-t) plot shows stable emission behavior for the preset current values.

}, keywords = {field emission, FTIR, polypyrrole, Raman}, isbn = {978-1-5090-2419-3}, author = {Harpale, Kashmira and Bansode, Sanjeewani and More, Mahendra and Late, D. J.} } @article {43402, title = {Fluorescent probe for bisulfite ions: its application to two-photon tissue imaging}, journal = {Journal of Materials Chemistry B}, volume = {4}, year = {2016}, month = {DEC}, pages = {7888-7894}, abstract = {A benzoxazinone based fluorescent probe for the specific and efficient detection of bisulfite ions in aqueous medium is described. The probe formed a bisulfite/sulphite adduct with an associated turn-on fluorescence response in the red wavelength region. No interference was observed in the detection process from all possible competing anions and molecules, including cyanide ion, cysteine, homocysteine and glutathione. In addition, the probe showed a fast response time, low detection limit, and cell membrane permeability. Furthermore, the probe was two-photon excitable, enabling imaging of endogenous bisulfite ions in HeLa cells as well as in deep tissues from different organs of mouse.}, doi = {10.1039/c6tb02637k}, author = {Agarwalla, Hridesh and Pal, Suman and Paul, Anirban and Jun, Yong Woong and Bae, Juryang and Ahn, Kyo Han and Srivastava, Divesh N. and Das, Amitava} } @article { ISI: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:000369200500019, title = {Functional and conformational transitions of mevalonate diphosphate decarboxylase from Bacopa monniera}, journal = {International Journal of Biological Macromolecules}, volume = {83}, year = {2016}, month = {FEB}, pages = {160-170}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Functional and conformational transitions of mevalonate diphosphate decarboxylase (MDD), a key enzyme of mevalonate pathway in isoprenoid biosynthesis, from Bacopa monniera (BmMDD), cloned and overexpressed in Escherichia coli were studied under thermal, chemical and pH-mediated denaturation conditions using fluorescence and Circular dichroism spectroscopy. Native BmMDD is a helix dominant structure with 45\% helix and 11\% sheets and possesses seven tryptophan residues with two residues exposed on surface, three residues partially exposed and two situated in the interior of the protein. Thermal denaturation of BmMDD causes rapid structural transitions at and above 40 degrees C and transient exposure of hydrophobic residues at 50 degrees C, leading to aggregation of the protein. An acid induced molten globule like structure was observed at pH 4, exhibiting altered but compact secondary structure, distorted tertiary structure and exposed hydrophobic residues. The molten globule displayed different response at higher temperature and similar response to chemical denaturation as compared to the native protein. The surface tryptophans have predominantly positively charged amino acids around them, as indicated by higher K-SV for IC as compared to that for CsCl. The native enzyme displayed two different lifetimes, vi (1.203 +/- 0.036 ns) and tau 2 (3.473 +/- 0.12 ns) indicating two populations of tryptophan. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Aggregation, CD spectroscopy, Fluorescence quenching, Mevalonate diphosphate decarboxylase, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.11.067}, author = {Shakeel, Abbassi and Patel, Krunal and Khan, Bashir Mohammad and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article { ISI:000374800700041, title = {Functional characterization and transient expression manipulation of a new sesquiterpene synthase involved in beta-caryophyllene accumulation in Ocimum}, journal = {Biochemical And Biophysical Research Communications}, volume = {473}, number = {1}, year = {2016}, month = {APR}, pages = {265-271}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The genus Ocimum has a unique blend of diverse secondary metabolites, with major proportion of terpenoids including mono- and sesquiterpenes. Although, beta-Caryophyllene, bicyclic sesquiterpene, is one of the major terpene found in Ocimum species and known to possess several biological activities, not much is known about its biosynthesis in Ocimum. Here, we describe isolation and characterization of beta-caryophyllene synthase gene from Ocimum kilimandscharicum Gurke (OkBCS- GenBank accession no. KP226502). The open reading frame of 1629 bp encoded a protein of 542 amino acids with molecular mass of 63.6 kDa and pl value of 5.66. The deduced amino acid sequence revealed 50-70\% similarity with known sesquiterpene synthases from angiosperms. Recombinant OkBCS converted farnesyl diphosphate to beta-caryophyllene as a major product (94\%) and 6\% alpha-humulene. Expression variation of OkBCS well corroborated with beta-caryophyllene levels in different tissues from five Ocimum species. OkBCS transcript revealed higher expression in leaves and flowers. Further, agro-infiltration based transient expression manipulation with OkBCS over-expression and silencing confirmed its role in beta-caryophyllene biosynthesis. These findings may potentially be further utilized to improve plant defense against insect pests. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {beta-Caryophyllene, Natural product biosynthesis, Ocimum, Terpene synthase, Transient expression}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2016.03.090}, author = {Jayaramaiah, Ramesha H. and Anand, Atul and Beedkar, Supriya D. and Dholakia, Shushan B. and Punekar, Sachin A. and Kalunke, Raviraj M. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000380864900003, title = {Functionalization and isoreticulation in a series of metal-organic frameworks derived from pyridinecarboxylates}, journal = {Inorganic Chemistry}, volume = {55}, number = {15}, year = {2016}, month = {AUG}, pages = {7200-7205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The partially fluorinated metal-organic frameworks (F-MOFs) have been constructed from 3-fltoro-4-pyridinecarboxylic acid and trans-3-fluoro-4-pyridineacrylic acid linkers using Mn2+, Co2+, and, Cd2+ metals via the solvothetrnal method, which show isostructural isomerism with their nonfluorinated counterparts synthesized using 4-pyridinecarboxylic acid and trans-4-pyridineacrylic acid, respectively. The simultaneous effect of partial fluorination and isoreticulation on structure and H-2 adsorption has been studied systematically in isostructural nonfluorinated and partially fluorinated MOFs, which shows that the increment in the hydrogen uptake properties in F-MOFs is not a universal phenomenon but is rather system-specific and changes from one system to another.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.6b00758}, author = {Pachfule, Pradip and Garai, Bikash and Banerjee, Rahul} } @article {43605, title = {Gadolinium(III)-based porous luminescent metal-organic frameworks for bimodal imaging}, journal = {Chempluschem}, volume = {81}, year = {2016}, month = {AUG}, pages = {728-732}, abstract = {Gd-III-based metal-organic frameworks, Gd-pDBI-1 and Gd-pDBI-2, have been synthesized using the linker pDBI (pDBI=1,4-bis(5-carboxy-1H-benzimidazole-2yl)benzene). They exhibited structural diversity due to subtle change in reaction constituents. Owing to the judicious choice of the fluorescent linker, the materials could be used for bimodal imaging (fluorescent and magnetic resonance) and displayed a modest T1 relaxivity value.}, doi = {10.1002/cplu.201600233}, author = {Kundu, Tanay and Mitra, Shouvik and Diaz Diaz, David and Banerjee, Rahul} } @article { ISI:000371021000006, title = {GAME9 regulates the biosynthesis of steroidal alkaloids and upstream isoprenoids in the plant mevalonate pathway}, journal = {Nature Communications}, volume = {7}, year = {2016}, month = {FEB}, pages = {Article Number: 10654}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Steroidal glycoalkaloids (SGAs) are cholesterol-derived molecules produced by solanaceous species. They contribute to pathogen defence but are toxic to humans and considered as anti-nutritional compounds. Here we show that GLYCOALKALOID METABOLISM 9 (GAME9), an APETALA2/Ethylene Response Factor, related to regulators of alkaloid production in tobacco and Catharanthus roseus, controls SGA biosynthesis. GAME9 knockdown and overexpression in tomato and potato alters expression of SGAs and upstream mevalonate pathway genes including the cholesterol biosynthesis gene STEROL SIDE CHAIN REDUCTASE 2 (SSR2). Levels of SGAs, C24-alkylsterols and the upstream mevalonate and cholesterol pathways intermediates are modified in these plants. Delta(7)-STEROL-C5(6)-DESATURASE (C5-SD) in the hitherto unresolved cholesterol pathway is a direct target of GAME9. Transactivation and promoter-binding assays show that GAME9 exerts its activity either directly or cooperatively with the SlMYC2 transcription factor as in the case of the C5-SD gene promoter. Our findings provide insight into the regulation of SGA biosynthesis and means for manipulating these metabolites in crops.

}, issn = {2041-1723}, doi = {10.1038/ncomms10654}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Pollier, Jacob and Vanden Bossche, Robin and Dewangan, Veena and Weithorn, Efrat and Tal, Lior and Meir, Sagit and Rogachev, Ilana and Malitsky, Sergey and Giri, Ashok P. and Goossens, Alain and Burdman, Saul and Aharoni, Asaph} } @article { ISI:000371105800005, title = {Glucose-derived porous carbon-coated silicon nanowires as efficient electrodes for aqueous micro-supercapacitors}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {7}, year = {2016}, month = {FEB}, pages = {4298-4302}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, we report on carbon coating of vertically aligned silicon nanowire (SiNWs) arrays via a simple hydrothermal process using glucose as carbon precursor. Using this process, a thin carbon layer is uniformly deposited on the SiNWs. Under optimized conditions, the coated SiNWs electrode showed better electrochemical energy storage capacity as well as exceptional stability in aqueous system as compared to uncoated SiNWs. The as-measured capacitance reached 25.64 mF/cm(2) with a good stability up to 25000 charging/discharging cycles in 1 M Na2SO4 aqueous solution.

}, keywords = {carbon coating, glucose precursor, hydrothermal, microsupercapacitors, silicon nanowires}, issn = {1944-8244}, doi = {10.1021/acsami.5b11240}, author = {Devarapalli, Rami Reddy and Szunerits, Sabine and Coffinier, Yannick and Shelke, Manjusha V. and Boukherroub, Rabah} } @article {42688, title = {Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {31446-31458}, doi = {10.1039/C6CP05041G}, author = {Jana, Asis K. and Batkulwar, Kedar B. and Kulkarni, Mahesh J. and Sengupta, Neelanjana} } @article { ISI:000375520100006, title = {Green approach to dye wastewater treatment using biocoagulants}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {4}, number = {5}, year = {2016}, month = {MAY}, pages = {2495-2507}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The present study focuses on newer biocoagulants, bioformulations, and the understanding of coagulant behavior with biocoagulants in relation to chemical coagulants. Newer biocoagulants, seeds of Azadirachta indica (AI) and pads of Acanthocereus tetragonus, are discussed along with two known biocoagulants, Moringa oleifera and Cicer arietinum seeds. Dye removal studies were carried out using widely reported Congo red dye to facilitate easy comparison with other conventional coagulants and the effect of various parameters such as initial dye concentration, pH, coagulant dose, etc. are discussed in detail. The use of biocoagulant was found to be highly effective, and up to 99\% dye removal was achieved for coagulant doses in the range of 300-1500 mg/L. It was also observed that coagulation is pH sensitive, similar to chemical coagulants. Although the biocoagulant dose is relatively higher than the conventional chemical coagulants, a good value for the sludge volume index, similar to 50 mL/g for 1 h and 30 min, respectively, was obtained for the two coagulants, Acanthocereus tetragonus and Moringa oleifera. A very high particle count compared to chemical coagulants was observed using a focused beam reflectance measurement. Bioformulation with chemical coagulants such as alum, ferric, and aluminum based coagulants can, not only lower doses of biocoagulants (up to one-third) but can also result in significant improvement in the coagulation performance, up to 50\% or more.

}, keywords = {coagulation, dye removal, Effluent treatment, flocculation, pollution}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b01553}, author = {Chethana, M. and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Raja, S. and Ranade, Vivek V.} } @article { ISI:000371753500044, title = {High loading of pd nanoparticles by interior functionalization of mofs for heterogeneous catalysis}, journal = {Inorganic Chemistry}, volume = {55}, number = {5}, year = {2016}, month = {MAR}, pages = {2345-2354}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this report, the issue related to nanoparticle (NP) agglomeration upon increasing their loading amount into metal-organic frameworks (MOFs) has been addressed by functionalization of MOFs with alkyne groups. The alkynophilicity of the Pd2+ (or other noble metals) ions has been utilized successfully for significant loading of Pd NPs into alkyne functionalized MOFs. It has been shown here that the size and loading amount of Pd NPs are highly dependent on the surface area and pore width of the MOFs. The loading amount of Pd NPs was increased monotonically without altering their size distribution on a particular MOF. Importantly, the distinct role of alkyne groups for Pe(2+) stabilization has also been demonstrated by performing a control experiment considering a MOF without an alkyne moiety. The preparation of NPs involved two distinct steps viz. adsorption of metal ions inside MOFs and reduction of metal ions. Both of these steps were monitored by microscopic techniques. This report also demonstrates the applicability of Pd@MOF NPs as extremely efficient heterogeneous catalysts for Heck-coupling and hydrogenation reactions of aryl bromides or iodides and alkenes, respectively.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b02739}, author = {Gole, Bappaditya and Sanyal, Udishnu and Banerjee, Rahul and Mukherjee, Partha Sarathi} } @article {45832, title = {High-index faceted Au nanocrystals with highly controllable optical properties and electro-catalytic activity}, journal = {Nanoscale}, volume = {8}, year = {2016}, month = {NOV}, pages = {19224-19228}, type = {Article}, abstract = {

We introduce a new and naturally abundant mild reducing agent, tannic acid, to improve the seed-mediated growth method for the synthesis of elongated tetrahexahedral Au nanocrystals enclosed with high-index (730) planes, at room-temperature. The control of the dimensions, plasmonics and electro-catalysis of such high-index faceted nanocrystals is remarkable.

}, issn = {2040-3364}, doi = {10.1039/c6nr06922c}, author = {Rajendra, Ranguwar and Gangadharan, Pranav K. and Tripathi, Shalini and Kurungot, Sreekumar and Ballav, Nirmalya} } @article { ISI:000380362700025, title = {Highly efficient nitrogen-doped hierarchically porous carbon supported Ni nanoparticles for the selective hydrogenation of furfural to furfuryl alcohol}, journal = {RSC Advances}, volume = {6}, number = {72}, year = {2016}, month = {JUL}, pages = {67662-67668}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nickel nanoparticles supported on nitrogen doped hierarchically porous carbon (Ni/CN) are found to be highly efficient and reusable catalysts for the selective hydrogenation of biomass-derived furfural to furfuryl alcohol (FA). Various characterization methods were used to study the structural and morphological features of the catalysts. Furfural conversion of 96\% and 95\% FA selectivity was obtained using a 5 wt\% Ni/CN catalyst. This catalyst showed excellent recyclability without any loss in activity and FA selectivity when it was reused four times. The higher catalytic performance is attributed to the nitrogen incorporated hierarchical porous 3D carbon network.

}, issn = {2046-2069}, doi = {10.1039/c6ra14078e}, author = {Kotbagi, Trupti V. and Gurav, Hanmant R. and Nagpure, Atul S. and Chilukuri, Satyanarayana V. and Bakker, Martin G.} } @article {45637, title = {Highly stable In-SBA-15 catalyst for vapor phase Beckmann rearrangement reaction}, journal = {Microporous and Mesoporous Materials}, volume = {234}, year = {2016}, month = {NOV }, pages = {293-302}, type = {Article}, abstract = {

The Indium doped SBA-15 material was prepared by sol-gel method and tested for vapor phase Beckman rearrangement reaction. Among three indium loading, In/Si ratio of 2/100 was found as an optimum composition in terms of caprolactam selectivity (100\%) and cyclohexanone oxime conversion (100\%). The catalysts were characterized by N-2 adsorption, small-angle X-rays/neutron scattering (SAXS/SANS), XRD, FESEM, HRTEM, EDX, UV, FTIR and NH3-TPD techniques. In-situ SANS experiment was performed on the adsorption of CO2 to detect the micropores in the mesopore wall. All catalysts samples have highly ordered hexagonal structure with well dispersed indium in the silica matrix. The fine tuning of weak and strong acid sites were found in indium doped SBA-15 (In/Si = 2/100) catalyst. The same catalyst showed optimum catalytic performance, high space time yield 114.4 mol/h/g(cat) and high stability till 6 h of reaction without deactivation. The micro-kinetic analysis showed that there were no external and internal diffusion limitations in the SBA-15 catalyst. The reaction mechanism of Beckmann rearrangement over In-SBA-15 has been elucidated. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {e-Caprolactam, In-situ SANS, indium, SAXS, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.07.024}, author = {Kumar, Rawesh and Shah, Sneha and Bahadur, Jitendra and Melnichenko, Yuri B. and Sen, Debasis and Mazumder, S. and Vinod, Chathakudath P. and Chowdhury, Biswajit} } @article { ISI:000380052000012, title = {Highly stable laser-scribed flexible planar microsupercapacitor using mushroom derived carbon electrodes}, journal = {Advanced Materials Interfaces}, volume = {3}, number = {11}, year = {2016}, month = {JUN}, pages = {1600057}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A report is presented on the fabrication of all solid-state interdigitated flexible microsupercapacitor using ultrafast and highly scalable laser scribing technique, using highly mesoporous carbon synthesized from biomass (mushroom) with hydrothermal preprocessing. The specific protocol used for carbon synthesis renders some unique property features to the material (surface area of 2604 m(2) g(-1) with hierarchical pore size distribution) in the context of supercapacitor electrode application. A polyvinyl alcohol (PVA)-H2SO4 gel electrolyte is used for electrochemical measurements. The microsupercapacitor shows high cyclic stability up to 15000 cycles. Moreover it shows nearly 90\% stability after 1000 bending cycles at 60 degrees angle. It also retains its performance even under 120 degrees bending condition. This work represents a facile and fast technique for microscaled device fabrication that can be easily commercialized. Moreover, the mushroom-derived carbon used to make the electrodes holds great promise in context of the stability and flexibility of flexible supercapacitors.

}, issn = {2196-7350}, doi = {10.1002/admi.201600057}, author = {Yadav, Poonam and Basu, Aniruddha and Suryawanshi, Anil and Game, Onkar S. and Ogale, Satishchandra} } @article { ISI:000369753300003, title = {Highly stereoselective, intermolecular haloetherification and haloesterification of allyl amides}, journal = {Synthesis-Stuttgart}, volume = {48}, number = {3}, year = {2016}, month = {FEB}, pages = {A25-A28}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0039-7881}, author = {Soltanzadeh, Bardia and Jaganathan, Arvind and Borhan, Babak} } @article { ISI: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 {42689, title = {Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1{\textendash}42 induced neurotoxicity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {NOV}, pages = {108768-108776}, doi = {10.1039/C6RA20225J}, author = {Batkulwar, Kedar B. and Jana, Asis K. and Godbole, Rashmi K. and Khandelwal, Puneet and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article {45860, title = {Hydrogel-derived soft materials for biomimetic and energy-related functions}, journal = {Australian Journal of Chemistry}, volume = {69}, year = {2016}, month = {AUG}, pages = {2-7}, type = {Article}, abstract = {Supramolecular assembly of molecules leading to gelation of large amount of solvents is always a fascinating topic of research. In the very recent past, the exciting developments have marked hydrogels as intriguing materials with excellent features. Hydrogel scaffolds enable the accommodation of organic and/or inorganic guest materials to deliver diverse applications. Hydrogels have been exploited to generate soft materials with mechanical anisotropy, tunable rigidity, self-healing properties, as well as photocatalytic capabilities towards H2 production. Remarkably, the combination of a photocatalyst and a light-harvesting system in the gel matrix provides a unique means to photocatalytic H2 production. The biomimetic applications of hydrogels have also generated much attraction due to their potential demonstrations. The diverse applications underline the significance of such a soft gel medium to reach the final goal. Herein, important reports pertaining to the use of hydrogels as an effective way to generate advanced materials for biomimetic and energy-related issues are discussed. }, doi = {10.1071/CH15304}, author = {Goudappagouda, and Wakchaure, V. C. and Ranjeesh, K. C. and Babu, S. S.} } @article { ISI:000372657900015, title = {Immobilization of multivalent glycoprobes on gold surfaces for sensing proteins and macrophages}, journal = {Analyst}, volume = {141}, number = {7}, year = {2016}, month = {FEB}, pages = {2250-2258}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The multivalent display of carbohydrates on the cell surface provides cooperative binding to improve the specific biological events. In addition to multivalency, the spatial arrangement and orientation of sugars with respect to external stimuli also trigger carbohydrate-protein interactions. Herein, we report a non-covalent host-guest strategy to immobilize heptavalent glyco-beta-cyclodextrin on gold-coated glass slides to study multivalent carbohydrate-protein interactions. We have found that the localization of sugar entities on surfaces using beta-cyclodextrin (beta-CD) chemistry increased the avidity of carbohydrate-protein and carbohydrate-macrophage interactions compared to monovalent-beta-CD sugar coated surfaces. This platform is expected to be a promising tool to amplify the avidity of sugar-mediated interactions on surfaces and contribute to the development of next generation bio-medical products.

}, issn = {0003-2654}, doi = {10.1039/c5an02336j}, author = {Gade, Madhuri and Khandelwal, Puneet and Sangabathuni, Sivakoti and Bavireddi, Harikrishna and Murthy, Raghavendra Vasudeva and Poddar, Pankaj and Kikkeri, Raghavendra} } @article { ISI:000380735100016, title = {Impact of H2S impurity on carbon dioxide hydrate formation kinetics in fixed bed arrangements}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, number = {29}, year = {2016}, note = {13th International Conference on Carbon Dioxide Utilization (ICCDU), Singapore, SINGAPORE, JUL 05-09, 2015}, month = {JUL}, pages = {7964-7972}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present work, a combination of silica sand and metallic sheets as a fixed bed media was used for carbon dioxide hydrate formation studies. Two metallic sheets, aluminum and brass, were incorporated into the fixed bed of silica sand to enhance heat transfer properties of the bed. The results obtained from this arrangement of metal sheets were compared with those obtained with a pure silica sand system. Both brass and aluminum systems were found to be good candidates to enhance gas hydrate formation kinetics compared to simply a sand system. Production of fuel gas from coal often contains a toxic gas, hydrogen sulfide (H2S). For the first time, the effect of H2S on the formation kinetics of CO2 + H-2 + H2S hydrates has been studied. It was observed that the presence of H2S does not affect the hydrate formation kinetics and total gas uptake in the presence of H2S is either as good as CO2 + H-2 hydrate or better. However, H2S impurity in the fuel gas mixture shows a corrosive effect on silica sand media.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b04079}, author = {Kumar, Asheesh and Sakpal, Tushar and Bhattacharjee, Gaurav and Kumar, Anupam and Kumar, Rajnish} } @article {43432, title = {Improved all-polymer solar cell performance of n-type naphthalene diimide-bithiophene P(NDI2OD-T2) copolymer by incorporation of perylene diimide as coacceptor}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8113-8125}, abstract = {

Naphthalene diimide-bithiophene P(NDI2OD-T2) is a well-known donor-acceptor polymer, previously explored as n-type material in all-polymer solar cells (all-PSCs) and organic field effect transistor (OFETs) applications. The optical, bulk, electrochemical, and semiconducting properties of P(NDI2OD-T2) polymer were tuned via random incorporation of perylene diimide (PDI) as coacceptor with naphthalene diimide (NDI). Three random copolymers containing 2,2{\textquoteright}-bithiophene as donor unit and varying compositions of naphthalene diimide (NDI) and perylene diimide (xPDI, x = 15, 30, and 50 mol \% of PDI) as two mixed acceptors were synthesized by Stille coupling copolymerization. Proton NMR spectra recorded in CD Cl-3 showed that the pi-pi stacking induced aggregation among the naphthalene units could be successfully disrupted by the random incorporation of bulky PDI units. The newly synthesized random copolymers were investigated as electron acceptors in BHJ all-PSCs, and their performance was compared with P(NDI2OD-T2) as reference polymer. An enhanced PCE of 5.03\% was observed for BHJ all-PSCs (all-polymer solar cells) fabricated using NDI-Th-PDI30 as acceptor and PTB7-Th as donor, while the reference polymer blend with the same donor polymer exhibited PCE of 2.97\% efficiency under similar conditions. SCLC bulk carrier mobility measured for blend devices showed improved charge mobility compared to reference polymer, with PTB7-Th:NDI-Th-PDI30 blend device exhibiting the high hole and electron mobility of 4.2 x 10(-4) and 1.5 x 10(-4) cm(2)/(V s), respectively. This work demonstrates the importance of molecular design via random copolymer strategy to control the bulk crystallinity, compatibility, blend morphology, and solar cell performance of n-type copolymers.

}, doi = {10.1021/acs.macromol.6b01566}, author = {Sharma, Sandeep and Kolhe, Nagesh B. and Gupta, Vinay and Bharti, Vishal and Sharma, Abhishek and Datt, Ram and Chand, Suresh and Asha, S. K.} } @article {43570, title = {In situ electrochemical transformation of Ni3S2 and Ni3S2-Ni from sheets to nanodisks: towards efficient electrocatalysis for hydrogen evolution reaction (HER)}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {DEC}, pages = {6708-6712}, abstract = {Transition metal sulphides have been viewed as alternatives to platinum based electrocatalysts for HER. Herein, we report the preparation of Ni3S2 in conjunction with Ni in a novel nanosheet morphology and verified its performance for HER. During cyclic polarization, exotic morphological transformation of Ni-3 S-2-Ni from nanosheets to nanodisks has been noted. This change is accompanied with initial increase in over-potential that passed through maxima (similar to 100mV above the starting potential) and decreased to similar to 50mV below the starting value. Enhanced electrocatalytic activity due to the morphological changes from sheets to nanodisks has been attributed to the formation of more number of exposed edge-planes known to promote HER. Kinetic analysis based on Tafel slope displayed by this composite is comparable to that of Pt based catalysts.}, doi = {10.1002/slct.201601567}, author = {Busupalli, Balanagulu and Battu, Shateesh and Haram, Santosh K. and Bhagavatula L. V. Prasad} } @article {42908, title = {In situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {23508-23517}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article {43424, title = {Industrial wastewater treatment for fertilizer industry a case study}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {27934-27944}, abstract = {Wastewaters from chemical fertilizer industry mainly contain organics, alcohols, ammonia, nitrates, phosphorous, heavy metals such as cadmium and suspended solids. The nature of effluent streams varies in terms of its constituents and complexity. The present work attempts to fill the void in the literature that mostly reports synthetic wastewater treatment studies, by evaluating effluent treatment solutions and comparison of different methods for real wastewaters from the fertilizer industry. An attempt has been made to devise suitable methodology mainly using a new device in the form of vortex diode for hydrodynamic cavitation and also using adsorption, for several real wastewater streams from different locations in one major fertilizer industry of Maharashtra, India. The strategy involved characterization of wastewaters, studies on the effective removal of chemical oxygen demand (COD) and devising solutions for effective reduction in ammoniacal nitrogena more serious issue in the fertilizer industry. The characterization of wastewaters from different streams revealed huge variation in COD from 50 to 140,000ppm and ammoniacal nitrogen from 6 to 1,700ppm. Some effluent streams contained alcohol up to 5\%. Hydrodynamic cavitation using vortex diode and adsorption with modified carbons were used to treat these streams. Cavitation studies were carried out on a pilot plant and the effect of pressure drop, cavitating device and process intensification were studied. It was observed that the effluent treatment strategy requires careful identification and application of suitable treatment method on the basis of the nature of the effluent. Also, hydrodynamic cavitation, using vortex diode appears to be techno-economically attractive option in treating fertilizer wastewaters giving a very high reduction in COD and ammoniacal nitrogen (up to 85\%), similar to adsorption. The results clearly identify potential of newer methodologies in the treatment of effluents in the fertilizer industry.}, doi = {10.1080/19443994.2016.1186399}, author = {Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ranade, Vivek V.} } @article {45862, title = {Influence of kinetic and thermodynamic promoters on post-combustion carbon dioxide capture through gas hydrate crystallization}, journal = {Journal of environmental chemical engineering}, volume = {4}, year = {2016}, month = {JUN}, pages = {1955-1961}, type = {Article}, abstract = {In the present work, we report enhanced kinetics of hydrate formation in the presence of kinetic and thermodynamic promoters, SDS (sodium dodecyl sulphate) and THF (tetrahydrofuran) respectively. Hydrate formation was carried out in a fixed bed reactor for post-combustion capture of CO2. Silica sand was used as a fixed bed medium to capture CO2 from a CO2/N2/SO2 (17.7 mol\% CO2, 1.05 mol\% SO2 and balance N2) gas mixture by hydrate crystallisation. Experiments were performed at a constant temperature (273.65 K) and at different pressures (9.5 and 2.45 MPa) in batch mode. It was found that the addition of SDS enhances the rate and gas uptake of gas hydrate formation. A higher gas consumption was achieved by using 5.56 mol\% THF compared to 1.0 and 3.0 mol\% THF. }, doi = {10.1016/j.jece.2016.03.021}, author = {Kumar, A. and Bhattacharjee, G. and Barmecha, V. and Diwan, S. and Kushwaha, O. S.} } @article { ISI:000371852000031, title = {Interplaying intrinsic and extrinsic proton conductivities in covalent organic frameworks}, journal = {Chemistry of Materials}, volume = {28}, number = {5}, year = {2016}, month = {MAR}, pages = {1489-1494}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A sulfonic-acid-based covalent organic framework (TpPa-SO3H) has been synthesized that exhibits intrinsic proton conductivity under anhydrous conditions. The sulfonic acid groups are aligned on the two-dimensional (2D) layers at periodic intervals and promote the proton hopping inside the hexagonal one-dimensional channel. The intrinsic proton conductivity of TpPa-SO3H was measured as 1.7 X 10(-5) S cm(-1) at 120 degrees C under anhydrous conditions. To enhance the proton conductivity, we have synthesized a hybrid COF TpPa(SO3H-Py) by a ligand-based solid-solution approach that contains sulfonic acid as the acidic site, as well as pyridine as the basic site, in order to immobilize acidic proton carrier molecules. Impregnation of phytic acid molecules inside the framework increases the anhydrous proton conductivity up to 5 x 10(-4) S cm(-1) at 120 degrees C. Such an approach highlights the advantage and first-time use of hybrid COF for interplaying intrinsic to extrinsic proton conductivity.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04947}, author = {Chandra, Suman and Kundu, Tanay and Dey, Kaushik and Addicoat, Matthew A. and Heine, Thomas and Banerjee, Rahul} } @inbook {45863, title = {Ion exchange resin catalyzed reactions-An overview}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {393-426}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {This chapter gives an overview of ion exchange resins as catalyst for a variety of reactions. Emphasis is placed on the use of resin as a catalyst rather than on reactions. Various aspects of resin catalysis, such as types of reactions where resin can be used, the physical form of resin and activity, and issues pertaining to its application as a catalyst are discussed. Advantages and disadvantages of resins as catalyst for different types of reactions are highlighted. Aspects like reactor configurations, selection of resin, process integration, process separations and the environmental impact of using resins as catalysts are also included. Possible future developments in the ion exchange catalysis area are also highlighted.}, issn = {978-012801457-8}, doi = {10.1016/B978-0-12-801457-8.00009-4}, author = {Bhandari, V. M. and Sorokhaibam, L. G. and Ranade, V. V.} } @article { ISI:000372676800002, title = {Isolates of alpinia officinarum hance as COX-2 inhibitors: evidence from anti-inflammatory, antioxidant and molecular docking studies}, journal = {International Immunopharmacology}, volume = {33}, year = {2016}, month = {APR}, pages = {8-17}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Inflammation triggered by oxidative stress can cause various ailments, such as cancer, rheumatoid arthritis, asthma, diabetes etc. In the last few years, there has been a renewed interest in studying the antioxidant and anti-inflammatory action of plant constituents such as flavonoids and diarylheptanoids. Aim: To evaluate the antioxidant, anti-inflammatory activity and the total phenolic content of isolated compounds from Alpinia officinarum rhizomes. Furthermore, molecular docking was performed to study the binding mode of these compounds into the active site of cyclooxygenase-2 (COX -2). Methods: A. officinarum rhizomes were extracted by maceration, using methanol. This extract was further fractionated by partitioning with hexane, chloroform and ethyl acetate and these fractions on further purification resulted in isolation of five pure compounds. Characterization was carried out by using H-1 NMR, C-13 NMR and MS. They were further evaluated for antioxidant and anti-inflammatory activity using carrageenan-induced paw edema model in rats. Molecular docking study was performed using Glide module integrated in Schrodinger molecular modeling software. Results: The compounds were identified as 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 3,5,7-trihydroxyflavone (Galangin, 3), 3,5,7-trihydroxy-4{\textquoteright}-methoxyflavone (Kaempferide, 4) and 5-hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone (5). The compound-3 and compound-5 (10 mg/kg) showed significant (p \< 0.001) antioxidant and anti-inflammatory potential. Moreover, total phenolic content was detected as 72.96 mg and 51.18 mg gallic acid equivalent respectively. All the five isolates were found to be good binders with COX-2 (average docking score -9.03). Conclusions: Galangin and 5-hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone exhibited anti-inflammatory and in-vitro antioxidant activity which may be due to presence of phenolic content in it. The molecular docking study revealed that these compounds have affinity towards COX-2 active site which can further be explored as selective COX-2 inhibitors. The results obtained in this work justify the use of A. officinarum in the treatment of inflammatory disorders like rheumatoid arthritis and inflammatory bowel diseases. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {5-Hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone, Alpinia officinarum, Anti-inflammatory, Antioxidant, COX-2 inhibitors, Galangin}, issn = {1567-5769}, doi = {10.1016/j.intimp.2016.01.024}, author = {Honmore, Varsha S. and Kandhare, Amit D. and Kadam, Parag P. and Khedkar, Vijay M. and Sarkar, Dhiman and Bodhankar, Subhash L. and Zanwar, Anand A. and Rojatkar, Supada R. and Natu, Arun D.} } @article { ISI:000381328300009, title = {Isolation and characterization of new lignin streams derived from extractive-ammonia (EA) pretreatment}, journal = {Green Chemistry}, volume = {18}, number = {15}, year = {2016}, month = {AUG}, pages = {4205-4215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

One of the key challenges facing lignin conversion to fuels and chemicals is related to the level of carbohydrate and ash impurities found in extracted lignin. Structural modifications of lignin may also occur as a result of biomass pretreatment and harsh lignin extraction protocols. Extractive-Ammonia (EA) is a new pretreatment technology that uses liquid ammonia to cleave lignin-carbohydrate complexes, decrystallize cellulose, solubilize lignin, and selectively extract Lignin from lignocellulosic biomass, enabling better utilization of both lignin and carbohydrate components in a biorefinery. The EA-based biorefinery produces two different lignin-rich streams, with different properties, that could potentially be upgraded to fuels and chemicals using green processes. In this work, a water/ethanol-based fractionation method was developed to enrich the ammonia-soluble extractives, resulting in a major product stream containing 92\% lignin. Detailed characterization of the various streams resulting from EA treatment, including compositional analysis, structural characterization by nuclear magnetic resonance (NMR) spectrometry, elemental analysis, molecular weight analysis, and thermo-gravimetric analysis provides a broad evaluation of the EA derived lignin product stream structures and properties, assessing their potential for commercial applications. In summary, EA-derived lignins preserve much of lignin{\textquoteright}s functionality, including the sensitive (3-aryl ether units. Nitrogen incorporation was observed in the lignin-rich streams, notably due to the presence of hydroxycinnamoyl amides formed during ammonia pretreatment.

}, issn = {1463-9262}, doi = {10.1039/c6gc00298f}, author = {Sousa, Leonardo da Costa and Foston, Marcus and Bokade, Vijay V. and Azarpira, Ali and Lu, Fachuang and Ragauskas, Arthur J. and Ralph, John and Dale, Bruce E. and Balan, Venkatesh} } @article {45864, title = {Isolation and virtual screening of antimicrobial prodigiosin pigment from oxalotrophic Serratia marcescens OX_R strain}, journal = {Journal of Applied Pharmaceutical Science}, volume = {6}, year = {2016}, month = {NOV}, pages = {052-058}, type = {Article}, abstract = {Prodigiosin a multifaceted secondary metabolite produced by Serratia spp. having great potential as a pharmaceutical. In the present study we demonstrate that oxalate supplementation in peptone glycerol production media increased organoleptic characters and yield of prodigiosin pigment extracted from oxalotrophic Serratia marcescens OX_R isolated from Indian bat guano sample. The pigment was demonstrated in-vitro as an antibacterial agent against common opportunistic skin surface pathogen Staphylococcus aureus NCIM 5021 strain as killing activity by agar well diffusion method. The docking analysis and pharmacophore modelling indicated that the probable mechanism of action of the prodigiosin was against Staphylococcus aureus DNA gyrase protein. The pigment was also found to efficiently dye both cotton and latex polymer. In summary, we describe here an oxalotrophic Serratia marcescens which may serve as a potent and economical resource of prodigiosin which owing to its dyeing and anti-bacterial activities finds future avenues to be developed as dressing material for nosocomial subjects or burn victim patients.}, doi = {10.7324/JAPS.2016.601108}, author = {Suryavanshi, M. V. and Waghmode, S. R. and Bharti, N. and Choudhari, P. B. and Hingamire, T. B. and Shouche, Y. S.} } @article { ISI:000382349600001, title = {Large trisoctahedral Au nanoparticles encapsulated inside porous silica catalyses CO oxidation at room temperature: probing the effect of encapsulation and the role of step atoms and interfaces}, journal = {Applied Catalysis A-General}, volume = {524}, year = {2016}, month = {AUG}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

As envisaged, a synthesis strategy is reported for encapsulating high index faceted trisoctahedral Au nanoparticles inside porous silica to preserve nanoparticle size by preventing sintering. Further, to probe the role of interfaces an active metal oxide junction was created by decorating trisoctahedral (TOH) Au nanoparticle with nano oxides before silica encapsulation. The activity of these catalysts was tested for CO oxidation reaction. The reaction was found to be facile on these encapsulated large structured Au nanoparticles showing appreciable activity at room temperature compared to non encapsulated counterparts. Apart from preventing sintering, the improved activity is demonstrated due to the retention of morphology and thereby the active centres due to encapsulation. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Defect sites, Encapsulation, High index facets, Metal-oxide active perimeter, Trisoctahedral Au nanoparticles}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.05.023}, author = {Sreedhala, S. and Maheshwari, Shruti and Betsy, K. J. and Vinod, C. P.} } @article {43575, title = {Laser shielding and thermal ablation characteristics of resorcinol formaldehyde/boronnitride composites for thermal protection systems}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, year = {2016}, month = {OCT}, pages = {10645-10655}, abstract = {Resorcinol formaldehyde (RF) composites were modified by incorporating different weight ratios of hexagonal boron nitride (h-BN) through a novel in situ polymerization technique. Temperature modulated SAXS was used to understand the changes in polymer network due to h-BN addition. The ablation performance of RF BN composites was evaluated by pulsed laser and oxyacetylene torch tests. Linear ablation resistance under oxyacetylene conditions improved by 18\%. Laser ablation resistance increased by 44\%. The reasons for improved ablation resistance for RF BN composites were studied using XRD, FTIR, and XPS methods which indicated that h-BN undergoes phase transformation at higher temperatures and also displays typical floral assimilation leading to significant energy consumption. This results in improved ablation resistance. These findings could lead to fabrication of RF BN based thermal protection systems (TPS) having better protection capabilities.}, doi = {10.1021/acs.iecr.6b01443}, author = {Daniel, Alex and Badhe, Yutika and Srikanth, Ivaturi and Gokhale, Suresh and Balasubramanian, Kandasubramanian} } @article {42428, title = {Lewis acid catalyzed selective reactions of donor-acceptor cyclopropanes with 2-naphthols}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {AUG}, pages = {10061-10064}, abstract = {

Lewis acid-catalyzed reactions of 2-substituted cyclopropane 1,1-dicarboxylates with 2-naphthols is reported. The reaction exhibits tunable selectivity depending on the nature of Lewis acid employed and proceed as a dearomatization/rearomatization sequence. With Bi(OTf)(3) as the Lewis acid, a highly selective dehydrative [3+2] cyclopentannulation takes place leading to the formation of naphthalene-fused cyclopentanes. Interestingly, engaging Sc(OTf)(3) as the Lewis acid, a Friedel-Crafts-type addition of 2-naphthols to cyclo-propanes takes place, thus affording functionalized 2-naphthols. Both reactions furnished the target products in high regioselectivity and moderate to high yields.

}, keywords = {annulations; arenes; Lewis acids; reaction mechanisms; small ring systems}, doi = {10.1002/anie.201604373}, author = {Kaicharla, Trinadh and Roy, Tony and Thangaraj, Manikandan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000369603400025, title = {Low frequency noise and photo-enhanced field emission from ultrathin PbBi2Se4 nanosheets}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {5}, year = {2016}, month = {DEC}, pages = {1096-1103}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Atomically thin two-dimensional layered materials have gained wide interest owing to their novel properties and potential for applications in nanoelectronic and optoelectronic devices. Here, we present the spectral analysis and photo-enhanced field emission studies of a layered intergrowth PbBi2Se4 nanosheet emitter, performed at the base pressure of similar to 1 x 10(-8) mbar. The emitter shows a turn-on field value of similar to 4.80 V mu m(-1), corresponding to an emission current density of similar to 1 mu A cm(-2). Interestingly, when the cathode was illuminated with visible light, it exhibited a lower turn-on field of B3.90 V mm(-1), and a maximum emission current density of similar to 893 mu A cm(-2) has been drawn at an applied electric field of similar to 8.40 V mu m(-1). Furthermore, the photo-enhanced emission current showed reproducible, step-like switching behavior in synchronous with ON-OFF switching of the illumination source. The emission current-time plots reveal excellent stability over a duration of similar to 6 h. Low-frequency noise is a significant limitation for the performance of nanoscale electronic devices. The spectral analysis performed on a Fast Fourier Transform (FFT) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha similar to 0.99. The low frequency noise, photo-enhanced field emission, and reproducible switching behavior characterized with very fast rise and fall times propose the layered PbBi2Se4 nanosheet emitter as a new promising candidate for novel vacuum nano-optoelectronic devices.

}, issn = {2050-7526}, doi = {10.1039/c5tc02993g}, author = {Suryawanshi, Sachin R. and Guin, Satya N. and Chatterjee, Arindom and Kashid, Vikas and More, Mahendra A. and Late, Dattatray J. and Biswas, Kanishka} } @article {42913, title = {Low turn-on field and high field emission current density from Ag/TiO 2 nanocomposite}, journal = {Chemical Physics Letters}, volume = {657}, year = {2016}, month = {JUL}, pages = {167{\textendash}171}, abstract = {

High current density of 1.24 mA/cm2 was drawn at an applied field of 4.4 V/μm from Ag/TiO2 nanocomposite. Also the turn-on field has been reduced from 3.9 V/μm to 2.7 V/μm for the emission current density of 10 μA/cm2. Ag/TiO2 nanocomposite was synthesized by using UV-switchable reducing agent. TiO2 nanotube wall was decorated by Ag nanoparticles with average diameter of 17 nm. To the best of our knowledge this is the first report on the field emission studies of Ag/TiO2 nanocomposite. Simple synthesis route coupled with superior field emission properties indicate the possible use of Ag/TiO2 nanocomposite for micro/nanoelectronic devices.

}, doi = {10.1016/j.cplett.2016.06.003}, author = {Patil, Girish P. and Deore, Amol B. and Bagal, Vivekanand S. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000374196000022, title = {Mechanically tunable curcumin incorporated polyurethane hydrogels as potential biomaterials}, journal = {Chemistry of Materials}, volume = {28}, number = {7}, year = {2016}, month = {APR}, pages = {2120-2130}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04964}, author = {Divakaran, Anumon V. and Azad, Lal Busher and Surwase, Sachin S. and Torris, Arun A. T. and Badiger, Manohar V.} } @article {45634, title = {Mechanistic and spectroscopic investigations of Ru3+-catalyzed oxidative degradation of azidothymidine by heptavalent manganese at environmentally relevant pH}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {28349-28362}, type = {Article}, abstract = {

The rapid increase in the population across the world has increased the consumption of pharmaceutical substances. These pharmaceutical substances have penetrated into the water through various ways. Mechanistic and spectroscopic investigations of Ru3+-catalyzed oxidative degradation of azidothymidine (AZT) by heptavalent manganese was studied for the first time. The values of pH-dependent apparent second-order rate constant show that Ru3+ accelerates the rate of the oxidative degradation of AZT by heptavalent manganese eight times faster than uncatalyzed reaction. Ru3+ catalytic oxidative degradation of AZT by heptavalent manganese was greatly depending on the pH. The removal of the AZT by heptavalent manganese in the presence of Ru3+ shows unit order with respect to heptavalent manganese, Ru3+, and AZT. The influences of dielectric constant, ionic strength, pH, addition of monomer, variation in catalyst concentration, etc. on the rate of the reaction were studied thoroughly and discussed in detail. The eight different products produced during the reaction were analyzed using the high-resolution mass spectrometry. Activation parameters were determined from variation in temperature during the reaction. The catalytic plausible mechanism was projected in which Ru3+ is oxidized to higher oxidation states of ruthenium by heptavalent manganese at environmentally relevant pH.

}, keywords = {Azidothymidine, catalysis, Degradation, Heptavalent manganese, kinetics, Mechanism}, issn = {1944-3994}, doi = {10.1080/19443994.2016.1187090}, author = {Kulkarni, Raviraj M. and Bhamare, Vijaykumar S. and Santhakumari, B.} } @article { ISI:000369665800035, title = {Mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte}, journal = {Journal of Materials Chemistry A}, volume = {4}, number = {7}, year = {2016}, month = {JAN}, pages = {2682-2690}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mechanochemistry has become an increasingly important synthetic tool for a waste-free environment. However, the poor quality of the so-derived materials in terms of their crystallinity and porosity has been their major drawback for any practical applications. In this report, we have for the first time successfully leveraged such characteristics to show that the mechanochemically synthesized bipyridine based covalent organic framework (COF) outperforms its conventional solvothermal counterpart as an efficient solid-state electrolyte in PEM fuel cells. Marking the first such attempt in COFs, a Membrane Electrode Assembly (MEA) fabricated using the mechanochemically synthesized COF was observed to inhibit the fuel crossover and build up a stable Open Circuit Voltage (OCV = 0.93 V at 50 degrees C), thereby establishing itself as an effective solid electrolyte material (with a proton conductivity of 1.4 x 10(-2) S cm(-1)), while the solvothermally synthesized COF proved ineffective under similar conditions.

}, issn = {2050-7488}, doi = {10.1039/c5ta10521h}, author = {Shinde, Digambar Balaji and Aiyappa, Harshitha Barike and Bhadra, Mohitosh and Biswal, Bishnu P. and Wadge, Pritish and Kandambeth, Sharath and Garai, Bikash and Kundu, Tanay and Kurungot, Sreekumar and Banerjee, Rahul} } @article {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 {43444, title = {Molecular cloning and in silico studies of physiologically significant trehalase from drosophila melanogaster}, journal = {International Journal of Biological Macromolecules}, volume = {92}, year = {2016}, month = {NOV}, pages = {282-292}, abstract = {Trehalase, a physiologically important glycosidase is known for its crucial role in insect glycometabolism and stress recovery. The present study describes the molecular cloning of a gene fragment, encoding the catalytically active trehalase from Drosophila melanogaster (DmTre) and its heterologous expression in Escherichia coli. The 1275 bp gene was overexpressed in two different vectors viz., pET28a and pCOLD TF and investigated for variable soluble expression, purification and activity of the recombinant enzyme with optimum pH and temperature of enzyme as 6 and 55 degrees C, respectively. The sequence was characterized in silico by subjecting it to homology search, multiple sequence alignment and phylogenetic tree construction revealing its identity to other trehalases which belong to glycoside hydrolase family 37. The deduced amino acid sequence and modeled 3D structure of DmTre possessed all features of trehalase superfamily, including signature motifs and catalytic domain. The active site pocket of recombinant DmTre was compared with the crystal structure of E. coli trehalase identifying Glu424 and Asp226 as the putative catalytic residues. Additionally, enzyme-substrate docking suggests possible involvement of other residues in the catalysis along with Asp226. The present study holds significance in understanding the structural aspects of Drosophila trehalase in spite of unavailabilty of eukaryotic trehalase crystal structure. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2016.06.097}, author = {Shukla, Ekta and Thorat, Leena and Bhavnani, Varsha and Bendre, Ameya D. and Pal, J. K. and Nath, B. B. and Gaikwad, Sushama M.} } @article { ISI:000379577800033, title = {Molecules with O-acetyl group protect protein glycation by acetylating lysine residues}, journal = {RSC Advances}, volume = {6}, number = {70}, year = {2016}, month = {JUL}, pages = {65572-65578}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Pharmaceutical intervention for reduction of advanced glycation end products (AGEs) is considered as a therapeutic strategy to attenuate the pathogenesis of diabetes. Many molecules have been reported to possess antiglycation activity, one such example is acetylsalicylic acid (aspirin). It protects proteins from glycation by acetylating the lysine residues. Therefore, in this study we have synthesized and screened molecules containing free N-acetyl, O-acetyl and acetophenone groups. All the selected molecules in this study showed glycation inhibition but interestingly, only molecules with O-acetyl but not N-acetyl and acetophenone groups were capable of acetylating lysine residue. Furthermore, we have demonstrated that pre-acetylation or aspirin treatment prior to the induction of diabetes helps in reducing HbA1c and AGE formation in the streptozotocin induced diabetic mice. Hence pre-acetylation may have an additional therapeutic efficacy of reducing AGE levels in vivo. Incorporation of O-acetyl group into anti-diabetic molecules could be a useful strategy, as it may have an additive effect in reducing AGEs. Identification of such novel acetylating agents represents a new area in the drug discovery process.

}, issn = {2046-2069}, doi = {10.1039/c6ra11313c}, author = {Vannuruswamy, Garikapati and Jagadeeshaprasad, Mashanipalya G. and Kashinath, K. and Kesavan, Suresh K. and Bhat, Shweta and Korwar, Arvind M. and Chougale, Ashok D. and Boppana, Ramanamurthy and Reddy, D. Srinivasa and Kulkarni, Mahesh J.} } @article { ISI:000373738000011, title = {Nanoporous graphene enriched with Fe/Co-N active sites as a promising oxygen reduction electrocatalyst for anion exchange membrane fuel cells}, journal = {Advanced Functional Materials}, volume = {26}, number = {13}, year = {2016}, month = {APR}, pages = {2150-2162}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {electrocatalyst, nitrogen doping, oxygen reduction reaction, porous grapheme, quantum dots}, issn = {1616-301X}, doi = {10.1002/adfm.201504765}, author = {Palaniselvam, Thangavelu and Kashyap, Varchaswal and Bhange, Siddeswar N. and Baek, Jong-Beom and Kurungot, Sreekumar} } @article { ISI:000381232100002, title = {Nanostructure oxygen carrier used in chemical looping combustion process-A review}, journal = {Advanced Science Letters}, volume = {22}, number = {4, SI}, year = {2016}, note = {3rd International Conference on Nanotechnology, Pune, INDIA, OCT 14-15, 2014}, month = {APR}, pages = {717-721}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

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

}, keywords = {Chemical looping combustion, CO2 Emission, Metal Oxide, Nanostructure, Oxygen Carrier}, issn = {1936-6612}, doi = {10.1166/asl.2016.6930}, author = {Badadare, Mansing M. and Adbale, Naina M. and Khomane, Ramdas B. and Kale, Ganesh R.} } @article { ISI:000374073800014, title = {Naphthoquinone based chemosensor 2-(2 {\textquoteleft}-aminoethylpyridine)-3-chloro-1,4-naphthoquinone: detection of metal ions, X-ray -crystal structures and DFT studies}, journal = {Journal of Molecular Structure}, volume = {1114}, year = {2016}, month = {JUN}, pages = {132-143}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Naphthoquinone based Chemosensor 2; 2-(2{\textquoteright}-aminoethylpyridine)-3-chloro-1,4-napthoquinone have been synthesized and characterized. Chemosensor 2 crystallizes in the orthorhombic space group Pbcn and shows extensive intramolecular as well as intermolecular hydrogen bonding interactions. Each molecule of Chemosensor 2 showed interaction with five neighboring molecules via C-H center dot center dot center dot N, N-H center dot center dot center dot N, C-H center dot center dot center dot Cl and C-H center dot center dot center dot O interactions. Slipped pi-pi stacking interaction was observed in adjacent quinonoid and benzenoid rings. Chemosensor abilities of Chemosensor 2 ligand have been evaluated with metal ions viz. Cu2+, Ni2+, Zn2+, Co2+, Fe3+, Mn2+, Cr3+, Hg2+, La3+ and Cd2+ in methanol, methanol-water mixture and in presence of mild base triethylamine. Stoichiometry of Chemosensor 2 with metal ions such as Cu2+, Ni2+, Zn2+ and Co2+ ions was determined by Jobs method in methanol and were found as 1:1 for Cu2+ and 2:1 for Ni2+, Zn2+ Co2+. The variation in the metal ligand ratio is observed in aqueous media for Cu2+. Chemosensor 2 can be used selectively for naked eye detection of Cu2+ ions. The association constant obtained in methanol shows the trend Cu2+\>Ni2+\>Co2+. Cu2+ and two (Ni-1 and Ni-2) Ni2+ complexes were synthesized. Ni-2 complex showed coordination of Chemosensor 2 ligands was through pyridine nitrogen{\textquoteright}s only. The Chemosensor 2 and its deprotonated forms in methanol, water and triethylamine were also studied by TD-DFT studies. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone, Chemosensor, hydrogen bonding, Naphthoquinone, pi-pi stacking, TD-DFT}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2016.02.065}, author = {Patil, Amit and Ware, Anuja P. and Bhand, Sujit and Chakravarty, Debamitra K. and Gonnade, Rajesh G. and Pingale, Subhash S. and Salunke-Gawali, Sunita} } @article {42936, title = {Naturally occurring anti-TB agents: isolation, chemical transformations and in vitro antitubercular activities of secondary metabolites of rhizomes of alpinia galanga}, journal = {Planta Medica International Open}, volume = {3}, year = {2016}, month = {SEP}, pages = {e55-e59}, abstract = {

A bioactivity-guided chemical examination of the acetone extract of the rhizomes of Alpinia galanga led to the isolation of six sec-ondary metabolites, eucalyptol derivative (1)andphenylpropa-noids (2{\textendash}6). The structures of all of the isolated compounds (1{\textendash}6)wereelucidatedonthebasisoftheirspectraldata.Theisolatedcompounds (1{\textendash}6)werein vitro assayed against active and dor-mant phenotypes of Mycobacterium tuberculosis H37Ra, respec-tively. Interestingly, 1'S-1'-acetoxychavicol acetate (2)showedgood antitubercular activities against both active and dormantphenotypes of M. tuberculosis with IC50 values of 1.04 {\textmu}M and2.69 {\textmu}M, respectively. Tsuji-Trost and homodimerization reac-tions of the active compound (2)respectivelyresultedinthefor-mation of two analogues, 7and 8.Bothofthesesynthesizedana-logues were also found to be active in vitro against active [IC50 sof3.24 and 3.87 {\textmu}M, respectively, for compounds 7and 8]anddor-mant [IC50 sof8.33and2.41{\textmu}M,respectively,forcompounds7and 8]phenotypesofM. tuberculosis H37Ra, respectively.

}, doi = {10.1055/s-0042-112226}, author = {Valkute, Tushar R. and Arkile, Manisha A. and Sarkar, Dhiman and Bhattacharya, Asish K.} } @article {43624, title = {Nevirapine loaded core shell gold nanoparticles by double emulsion solvent evaporation: invitro and in vivo evaluation}, journal = {Current Drug Delivery}, volume = {13}, year = {2016}, month = {JAN}, pages = {1071-1083}, abstract = {Background: HIV/AIDS is a macrophage resident infection localized in the reticuloendothelial system and remote locations of brain and bone marrow. We present core shell nanoparticles of gold(AuNPs) and nevirapine(NVP) for targeted delivery to the multiple HIV reservoirs. The aim of the study was to design core shell NVP loaded AuNPs with high drug loading and to evaluate biodistribution of the nanoparticles in possible HIV reservoirs in vivo. A specific objective was to assess the possible synergy of AuNPs with NVP on anti-HIV activity in vitro. Method: Core shell nanoparticles were prepared by double emulsion solvent evaporation method and characterized. Results: Glyceryl monostearate-nevirapine-gold nanoparticles(GMS-NVP-AuNPs) revealed high entrapment efficiency (> 70\%), high loading (similar to 40\%), particle size < 250 nm and zeta potential -35.9 +/- 1.41mv and exhibited sustained release with good stability. Surface plasmon resonance indicated shell formation while SEM coupled EDAX confirmed the presence of Au. TEM confirmed formation of spherical core shell nanoparticles. GMS-NVP-AuNPs revealed low hemolysis (< 10 \%) and serum stability upto 6 h. GMS-NVP-AuNPs exhibited rapid, high and sustained accumulation in the possible HIV reservoir organs, including the major organs of liver, spleen, lymph nodes, thymus and also remote locations of brain, ovary and bone marrow. High cell viability and enhanced uptake in PBMC{\textquoteright}s and TZM-bl cells were observed. While uptake in PBMC{\textquoteright}s proposed monocytes/macrophages enabled brain delivery. GMS-NVP-AuNPs demonstrated synergistic anti-HIV activity. Conclusion: The superior anti-HIV activity in vitro coupled with extensive localization of the nanoparticles in multiple HIV reservoirs suggests great promise of the core shell GMS-NVP-AuNPs for improved therapy of HIV.}, doi = {10.2174/1567201813666160114093005}, author = {Dalvi, Bhagyashree R. and Siddiqui, Ejaz A. and Syed, Asad S. and Velhal, Shilpa M. and Ahmad, Absar and Bandivdekar, Atmaram B. and Devarajan, Padma V.} } @article { 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 {42696, title = {Nickel-catalyzed direct alkynylation of C(sp2)-H bonds of amides: an {\textquotedblleft}inverse sonogashira strategy{\textquotedblright} to ortho-alkynylbenzoic acids. just accepted}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {OCT}, pages = {1946-1951}, abstract = {

Nickel-catalyzed direct alkynylation of C(sp2){\textendash}H bonds of amides using commercially available, inexpensive 8-aminoquinoline as a removable bidentate directing group is described. The present ortho-alkynylation has a broad substrate scope, functional group tolerance and high regiocontrol, and can be scaled up. The efficiency and selectivity of this strategy provide sustainable routes to a diverse array of ortho-alkynylbenzoic acids under Ni(II)-catalyzed conditions.

}, doi = {10.1039/C5CY01299F}, author = {Landge, Vinod Gokulkrishna and Shewale, Chinmay H. and Jaiswal, Garima and Sahoo, Manoj Kumar and Midya, Siba Prasad and Balaraman, Ekambaram} } @article { ISI:000374790700031, title = {Nitrogen and sulphur co-doped crumbled graphene for the oxygen reduction reaction with improved activity and stability in acidic medium}, journal = {Journal of Materials Chemistry A}, volume = {4}, number = {16}, year = {2016}, month = {MAR}, pages = {6014-6020}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2050-7488}, doi = {10.1039/c6ta00073h}, author = {Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article {43020, title = {Nitrogen doping in oxygen-deficient Ca2Fe2O5: a strategy for efficient oxygen reduction oxide catalysts}, journal = {ACS Applied Materials and Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {34387{\textendash}34395}, doi = {10.1021/acsami.6b11718}, author = {Jijil, Chamundi P. and Lokanathan, Moorthi and Chithiravel, Sundaresan and Nayak, Chandrani and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Babu, P. D. and Kakade, Bhalchandra A. and Devi, R. Nandini} } @article { ISI:000382652800001, title = {Non-catalytic deep desulphurization process using hydrodynamic cavitation}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {SEP}, pages = {Article Number: 33021}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

A novel approach is developed for desulphurization of fuels or organics without use of catalyst. In this process, organic and aqueous phases are mixed in a predefined manner under ambient conditions and passed through a cavitating device. Vapor cavities formed in the cavitating device are then collapsed which generate (in-situ) oxidizing species which react with the sulphur moiety resulting in the removal of sulphur from the organic phase. In this work, vortex diode was used as a cavitating device. Three organic solvents (n-octane, toluene and n-octanol) containing known amount of a model sulphur compound (thiophene) up to initial concentrations of 500 ppm were used to verify the proposed method. A very high removal of sulphur content to the extent of 100\% was demonstrated. The nature of organic phase and the ratio of aqueous to organic phase were found to be the most important process parameters. The results were also verified and substantiated using commercial diesel as a solvent. The developed process has great potential for deep of various organics, in general, and for transportation fuels, in particular.

}, issn = {2045-2322}, doi = {10.1038/srep33021}, author = {Suryawanshi, Nalinee B. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ranade, Vivek V.} } @article { ISI:000375445700073, title = {Observation of enhanced field emission properties of Au/TiO2 nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {122}, number = {5}, year = {2016}, month = {MAY}, pages = {560}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Simple and low-cost method of thermal annealing was used to decorate Gold (Au) nanoparticles on aligned TiO2 nanotubes. The aligned TiO2 nanotubes were decorated by Au nanoparticles with an average diameter of 9, 18 and 28 nm (aligned TiO2 nanotubes referred as specimen A and TiO2 nanotubes decorated by Au nanoparticles with average diameter of 9, 18 and 28 nm are referred as specimen B, C and D, respectively). The detailed characterization such as structural, morphological and elemental analysis of TiO2 and Au/TiO2 nanocomposite have been carried out using X-ray diffraction, field emission scanning electron microscope, transmission electron microscope, X-ray photoelectron spectroscopy and Raman spectroscopy. Furthermore, the meticulous comparative field emission characteristics of the aligned TiO2 nanotubes and Au/TiO2 nanocomposite have been performed. The turn-on field defined for the current density of 10 mu A/cm(2) has been found to be 3.9, 2.8, 3.2 and 3.7 V/mu m for specimen A, B, C and D, respectively. The observed low turn-on field of specimen B has been found to be superior than the other semiconducting nanocomposites reported in the literature. The emission current stability over a period of 3 h is found to be better for all the specimens. To the best of our knowledge, a systematic field emission study of Au/TiO2 nanocomposite has not been explored. The observed superior field emission study of Au/TiO2 nanocomposite indicates their possible use in micro/nanoelectronic devices.

}, issn = {0947-8396}, doi = {10.1007/s00339-016-0090-z}, author = {Patil, Girish P. and Bagal, Vivekanand S. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000371479000046, title = {Observation of magnetic anomalies in one-step solvothermally synthesized nickel-cobalt ferrite nanoparticles}, journal = {Nanoscale}, volume = {8}, number = {9}, year = {2016}, month = {JAN}, pages = {5200-5213}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Magnetic anomalies corresponding to the Verwey transition and reorientation of anisotropic vacancies are observed at 151 K and 306 K, respectively, in NiCoFe2O4 nanoparticles (NPs) synthesized by a modified-solvothermal method followed by annealing. Cationic disorder and spherical shape induced non-stoichiometry suppress the Verwey transition in the as-synthesized NPs. On the other hand, reorientation of anisotropic vacancies is quite robust. XRD and electron microscopy investigations confirm a single phase spinel structure and the surface morphology of the as-synthesized NPs changes from spherical to octahedral upon annealing. Rietveld analysis reveals that the Ni2+ ions migrate from tetrahedral (A) to octahedral (B) sites upon annealing. The Mossbauer results show canted spins in both the NPs and the strength of superexchange is stronger in Co-O-Fe than Ni-O-Fe. Magnetic force images show that the as-synthesised NPs are single-domain whereas the annealed NPs are multi-domain octahedral particles. The FMR study reveals that both the NPs have a broad FMR line-width; and resonance properties are consistent with the random anisotropy model. The broad inhomogeneous FMR line-width, observation of the Verwey transition, tuning of the magnetic domain structure as well as the magnetic properties suggest that the NiCoFe2O4 ferrite NPs may be promising for future generation spintronics, magneto-electronics, and ultra-high-density recording media as well as for radar absorbing applications.

}, issn = {2040-3364}, doi = {10.1039/c5nr06791j}, author = {Datt, Gopal and Sen Bishwas, Mousumi and Raja, M. Manivel and Abhyankar, A. C.} } @article {43600, title = {Olfactory stimulation of apis cerana indica towards different doses of volatile constituents: SEM and EAG approaches}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {SEP}, pages = {847-859}, abstract = {Morphological and peripheral olfactory responses of antennal chemosensilla of Apis cerana indica, worker honeybee, to commonly occurring plant volatiles were recorded using SEM and EAG techniques, respectively. The antennae of A. cerana indica reveal the predominance of olfactory sensilla besides gustatory and mechanoreceptor cells. Ten different types of olfactory sensilla including sensilla basiconica, placodea type A and B, chaetica, coeloconica, coelocapitula, trichodea type A, B, C and D were reported. Of these, trichodea B and placodea A types were reported to be maximum. Responses to 47 commonly occurring plant volatiles (including 10 aromatic, 12 aliphatic, 04 green leaf volatile, 10 hydrocarbon monoterpene, 08 oxygenated monoterpenes and 03 sesquiterpenes compounds) were shown to elicit the response. Normalized EAG response, relative to the standard 1-hexanol, reveal significant differences between the chemicals and were concentration dependent. At 0.1 mg/mL dose, the largest amplitude was obtained with p-cymene (119.74 +/- 6.94) followed by cinnamaldehyde (97.07 +/- 4.94) and veratrol (92.99 +/- 7.82). Furthermore, at 1.0 mg/mL, maximum stimulation was reported with cinnamaldehyde (92.02 +/- 4.26) followed by phenethyl alcohol (86.02 +/- 2.63), benzyl alcohol (70.53 +/- 2.47), 2-heptanone (67.71 +/- 5.02) and 1-heptanol (67.56 +/- 2.8). Again, amplitude of the response was found to be maximum with cinnamaldehyde (115.59 +/- 6.73) followed by 1-heptanol (105.69 +/- 2.45) and citral (100.78 +/- 4.93) at 5.0 mg/mL, whereas, at 10.0 mg/mL, phenethyl alcohol (93.45 +/- 1.87) and 2-heptanone (93.14 +/- 1.85) showed highest stimulation followed by 2-pentanone (92.22 +/- 0.43). These documentations provide valuable information regarding how diversity in chemoreceptive antennal sensilla reveals better ability to sense a diversity of odors that are important cues to help honeybee distinguish among species of various flowering plants. (C) 2016 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2016.07.014}, author = {Bhowmik, Biswanath and Lakare, Sachin and Sen, Ayalokiteswar and Bhadra, Kakali} } @article { ISI:000370104700016, title = {Optimization by box-behnken experimental design fur synthesis of n-hexyl levulinate biolubricant over hierarchical H-ZSM-5: an effort towards agricultural waste minimization}, journal = {Process Safety and Environmental Protection}, volume = {99}, year = {2016}, month = {JAN}, pages = {159-166}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

The present study is devoted to develop efficient catalytic process for conversion of agricultural waste feedstock to value added chemicals. In this context, the n-hexyl levulinate, a renewable biolubricant was synthesized by esterification of biomass derived levulinic acid (LA) with n-hexanol in a closed batch system. Hierarchical-HZ-5 (modified H-ZSM-5) was used as a heterogeneous acid catalyst. There are no reports available on the synthesis of n-hexyl levulinate biolubricant using renewable levulinic acid. The process variables such as catalyst to LA ratio (X-1), n-hexanol to LA molar ratio (X-2), reaction time (X-3) and reaction temperature (X-4) were optimized by response surface methodology (RSM), using the Box-Behnken model. Analysis of variance was done to check the suitability and significance of the quadratic model. The yield of n-hexyl levulinate obtained was 97\% with 100\% selectivity at optimum process parameters. The RSM analysis predicted that catalyst to LA ratio is most significant (value of p \< 0.0001) and n-hexanol to LA molar ratio is least significant (value of p = 0.0064) process parameter in esterification. The quadratic model established was revealed to be suitable and statistically precise with correlation value (R-2) of 0.9837 to predict the yield of n-hexyl levulinate. (C) 2015 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Agricultural waste feedstock, Esterification, Hierarchical-HZ-5, n-Hexyl levulinate, Optimization, Response surface methodology}, issn = {0957-5820}, doi = {10.1016/j.psep.2015.11.003}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article {45829, title = {Oxidative transformation of antiretroviral drug zidovudine during water treatment with permanganate: reaction kinetics and pathways}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {FEB}, pages = {24999-25010}, type = {Article}, abstract = {

The presence of the pharmaceutical substances in the water has been reported by many studies and has attracted attention across the world. The mechanistic insight into oxidation of antiretroviral drug zidovudine (ZDV) by potassium permanganate was investigated between the pH values 3.0 and 9.0. The pH-dependent second-order rate constants were determined and rate constants decreased with an increase in pH. The products of the reaction were identified by high-resolution mass spectrometry. A probable mechanism is proposed which involves the formation of an intermediate complex between permanganate and ZDV, which further undergoes degradation in subsequent fast steps to form various oxidized products. The different parameters like effect of initially added products, solvent polarity, ionic strength, temperature, and pH on the rate of the oxidative degradation of ZDV by permanganate were systematically studied. The various activation parameters were determined from the effect of variation in temperature on the oxidative degradation of ZDV by permanganate in acidic medium and discussed in detail.

}, keywords = {Degradation, kinetics, Mechanism, Permanganate, Zidovudine}, issn = {1944-3994}, doi = {10.1080/19443994.2016.1149110}, author = {Kulkarni, Raviraj M. and Bhamare, Vijaykumar S. and Santhakumari, B.} } @article {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:000368754700011, title = {Pb2+-N bonding chemistry: recycling of polyaniline-pb nanocrystals waste for generating high-performance supercapacitor electrodes}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {2}, year = {2016}, month = {JAN}, pages = {911-918}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding of Pb-N bonding chemistry is not only fundamentally important in the view of relativistic inert-pair effect but also is important for therapeutic as well as environmental applications. In the present study, an unusual reactivity of N-containing pi-conjugated polyaniline emeraldine base (EB) toward aqueous Pb2+ ions has been identified. In the course of sequestering Pb2+ ions by EB, cuboid-shaped nanocrystals were isolated. Synchrotron-based X-ray absorption near-edge structure and extended X-ray absorption fine structure techniques were employed to understand Pb-N bonding chemistry in EB-Pb nanocrystals. The adopted methodology of slow exposure of HCl vapor to EB-Pb nanomaterial facilitated the isolation of polyaniline emeraldine-salt (ES) with unique morphological patterns, porosity and electrical conductivity. The electrochemical device based on recycled ES showed high-capacitance value (similar to 606 F/g @1 A/g and similar to 663 F/g @10 mV/s), high-energy density (similar to 14.8 Wh/kg at power density of similar to 663 W/kg) and excellent-cycling stability (only similar to 15\% degradation after 1100 continued cycles at current density of 5 A/g). Notably, ES materials prepared directly from EB and upon exposing HNO3 vapor exhibited greatly inferior device performance.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b11217}, author = {Jha, Plawan Kumar and Singh, Santosh K. and Gatla, Suresh and Mathon, Olivier and Kurungot, Sreekumar and Ballav, Nirmalya} } @article { ISI:000378715600002, title = {Pharmaceutical cocrystals: walking the talk}, journal = {Chemical Communications}, volume = {52}, number = {54}, year = {2016}, month = {MAY}, pages = {8342-8360}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Pharmaceutical cocrystals belong to a sub-class of cocrystals wherein one of the components is a drug molecule (or an active pharmaceutical ingredient, API) and the second is a benign food or drug grade additive (generally regarded as safe, GRAS). The two components are hydrogen-bonded in a fixed stoichiometric ratio in the crystal lattice. In the past decade, pharmaceutical cocrystals have demonstrated significant promise in their ability to modify the physicochemical and pharmacokinetic properties of drug substances, such as the solubility and dissolution rate, bioavailability, particle morphology and size, tableting and compaction, melting point, physical form, biochemical and hydration stability, and permeability. In this feature review, we highlight some prominent examples of drug cocrystals which exhibit variable hardness/softness and elasticity/plasticity depending on coformer selection, improvement of solubility and permeability in the same cocrystal, increase of the melting point for solid formulation, enhanced color performance, photostability and hydration stability, and a longer half-life. Cocrystals of flavanoids and polyphenols can make improved pharmaceuticals and also extend to the larger class of nutraceuticals. The application of crystal engineering to assemble ternary cocrystals expands this field to drug-drug cocrystals which may be useful in multi-drug resistance, mitigating side effects of drugs, or attenuating/enhancing drug action synergistically by rational selection. The advent of new techniques for structural characterization beyond the standard X-ray diffraction will provide a better understanding of drug phases which are at the borderline of crystalline-amorphous nature and even newer opportunities in the future.

}, issn = {1359-7345}, doi = {10.1039/c6cc02943d}, author = {Bolla, Geetha and Nangia, Ashwini} } @article { ISI:000374195700036, title = {Photocatalytic degradation of methylene blue on Sn-doped titania nanoparticles synthesized by solution combustion route}, journal = {Materials Research Bulletin}, volume = {76}, year = {2016}, month = {APR}, pages = {264-272}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Series of tin-doped titania nanoparticles with varying tin content in the range 0-20 mol\% have been prepared by solution combustion synthesis route using urea as a fuel. The structure, surface morphology and optical activity of Sn-doped TiO2 nanoparticles were investigated by various analytical techniques such as powder XRD, SEM, TEM, UV-vis and N-2 adsorption study. The crystalline structures of the various phases were studied by rietveld refinement of the XRD data. The photocatalytic performance of Sn-doped titania nanoparticles were tested for degradation of MB under UV and visible light irradiation. The results reveal that the photocatalytic activity increases with increase in tin content which may be due to decrease in crystallite size with increase in surface area. The doping of Sn into TiO2 lattice hinders the recombination of electrons and holes thus enhance the quantum efficiency of photocatalytic reaction. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, composites, Nanostructures, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2015.12.041}, author = {Bhange, P. D. and Awate, S. V. and Gholap, Ramkrishna S. and Gokavi, G. S. and Bhange, Deu S.} } @article { ISI:000371021900071, title = {Photochromic metal-organic frameworks for inkless and erasable printing}, journal = {Chemical Science}, volume = {7}, number = {3}, year = {2016}, month = {DEC}, pages = {2195-2200}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Inkless and erasable printing is the key solution towards a more sustainable paper industry, in terms of reducing paper wastages and the associated environmental hazards from waste paper processing. However, only a few cases have been reported in the literature where inkless printing has been tested in some practical systems. In an attempt to address this solution, we used photochromic metal-organic frameworks (MOFs) and tested their capability as inkless and erasable printing media. The printing was performed using sunlight as the light source on MOF-coated papers. The resulting printing had good resolution and stability, and was capable of being read both by the human eye and smart electronic devices; furthermore, the paper could be reused for several cycles without any significant loss in intensity. Interestingly, different coloured printing with a similar efficiency was achieved by varying the structure of the MOF.

}, issn = {2041-6520}, doi = {10.1039/c5sc04450b}, author = {Garai, Bikash and Mallick, Arijit and Banerjee, Rahul} } @article { ISI:000370900600019, title = {Photoluminescent tetrahedral d(10)-metal Schiff base complexes exhibiting highly ordered mesomorphism}, journal = {Polyhedron}, volume = {105}, year = {2016}, month = {FEB}, pages = {150-158}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of four-coordinate d(10)-metal complexes of the type [ML2] {M = Zn, Cd, Hg; L = 4-nitro-2-((octadecylimino)methyl)phenol}, incorporating a new N-alkylated bidentate [N,O]-donor salicylaldimine Schiff base ligand, has been synthesized and characterized by elemental analyses, FT-IR, UV-Vis, H-1 NMR and FAB-mass spectroscopies. The ligand is non-mesomorphic and devoid of any photoluminescence. The zinc(II) and cadmium(II) complexes displayed highly ordered mesophases reminiscent of soft crystals. The phases have been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD) studies. The complex of mercury(II) decomposed prior to melting. An orthogonal symmetry with a {\textquoteleft}herringbone{\textquoteright} array for the zinc complex and a primitive triclinic symmetry (p(1)) for the cadmium complex, respectively, has been proposed. The complexes exhibited fluorescence at room temperature, both in the solution and in the solid state, with emission maxima in the blue region. Density functional theory (DFT) calculations carried out using the GAUSSIAN 09 program at the B3LYP level revealed a distorted tetrahedral geometry around the metal center in all the complexes. Natural bond orbital (NBO) analysis suggested appreciable charge transfer from the ligand to the metal center in the complexes. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Density functional theory, Luminescence, Mesophase, Schiff base, X-ray diffraction}, issn = {0277-5387}, doi = {10.1016/j.poly.2015.11.053}, author = {Chakraborty, Sutapa and Purkayastha, Debraj Dhar and Das, Gobinda and Bhattacharjee, Chira R. and Mondal, Paritosh and Prasad, S. Krishna and Rao, D. S. Shankar} } @article { ISI:000375611100047, title = {Photoresponsive assemblies of linear-dendritic copolymers containing azobenzene in the dendron interior: the effect of the dendron structure on dye encapsulation and release}, journal = {RSC Advances}, volume = {6}, number = {49}, year = {2016}, month = {APR}, pages = {43163-43170}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrophobic dendrons with different numbers and positions of azobenzenes as well as different groups benzyl and dodecyl, on the periphery were synthesised and attached to poly(ethylene glycol) using copper-catalysed azide-alkyne cycloaddition to obtain linear-dendritic copolymers. Self-assembly of the polymers in aqueous solution was characterised using dynamic light scattering (DLS), transmission electron microscopy (TEM) and critical micelle concentration (cmc). Formation of H-aggregates during micellisation was shown for polymers with a higher number of azobenzene units. Photoisomerisation of azobenzene in the assemblies was studied and the rate constant of thermal photoisomerisation was calculated. Release of hydrophobic dye Nile red upon photoisomerisation of azobenzene occurred without disruption of micellar aggregates. Dye release varied with the pathway - thermal or visible light irradiation, followed for cis-trans isomerisation. The encapsulation capacity of the micelles and extent of dye release in either pathway were found to be influenced by the dendron structure. A polymer with a lower number of azobenzenes and aliphatic periphery on the dendron showed significantly different behaviour than polymers with a larger number of aromatic units.

}, issn = {2046-2069}, doi = {10.1039/c6ra02250b}, author = {Kalva, Nagendra and Basutkar, Nitin B. and Ambade, Ashootosh V.} } @article {43642, title = {Phytase production by solid-state fermentation of groundnut oil cake by Aspergillus niger: A bioprocess optimization study for animal feedstock applications}, journal = {Preparative Biochemistry \& Biotechnology}, volume = {46}, year = {2016}, month = {JUL}, pages = {531-538}, abstract = {This investigation deals with the use of agro-industrial waste, namely groundnut oil cake (GOC), for phytase production by the fungi Aspergillus niger NCIM 563. Plackett-Burman design (PBD) was used to evaluate the effect of 11 process variables and studies here showed that phytase production was significantly influenced by glucose, dextrin, distilled water, and MgSO4 center dot 7H(2)O. The use of response surface methodology (RSM) by Box-Behnken design (BBD) of experiments further enhanced the production by a remarkable 36.67-fold from the original finding of 15 IU/gds (grams of dry substrate) to 550 IU/gds. This is the highest solid-state fermentation (SSF) phytase production reported when compared to other microorganisms and in fact betters the best known by a factor of 2. Experiments carried out using dried fermented koji for phosphorus and mineral release and also thermal stability have shown the phytase to be as efficient as the liquid enzyme extract. Also, the enzyme, while exhibiting optimal activity under acidic conditions, was found to have significant activity in a broad range of pH values (1.5-6.5). The studies suggest the suitability of the koji supplemented with phytase produced in an SSF process by the "generally regarded as safe" (GRAS) microorganism A. niger as a cost-effective value-added livestock feed when compared to that obtained by submerged fermentation (SmF).}, doi = {10.1080/10826068.2015.1045606}, author = {Buddhiwant, Priyanka and Bhavsar, Kavita and Kumar, V. Ravi and Khire, Jayant M.} } @article { ISI:000379457400028, title = {Pick and choose the spectroscopic method to calibrate the local electric field inside proteins}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, number = {13}, year = {2016}, month = {JUL}, pages = {2456-2460}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Electrostatic interactions in proteins play a crucial role in determining the structure function relation in biomolecules. In recent years, fluorescent probes have been extensively employed to interrogate the polarity in biological cavities through dielectric constants or semiempirical polarity scales. A choice of multiple spectroscopic methods, not limited by fluorophores, along with a molecular level description of electrostatics involving solute-solvent interactions, would allow more flexibility to pick and choose the experimental technique to determine the local electrostatics within protein interiors. In this work we report that ultraviolet/visible-absorption, infrared-absorption, or C-13 NMR can be used to calibrate the local electric field in both hydrogen bonded and non-hydrogen bonded protein environments. The local electric field at the binding site of a serum protein has been determined using the absorption wavelength as well as the carbonyl stretching frequency of its natural steroid substrate, testosterone. Excellent agreement is observed in the results obtained from two independent spectroscopic techniques.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.6b00852}, author = {Haldar, Tapas and Kashid, Somnath M. and Deb, Pranab and Kesh, Sandeep and Bagchi, Sayan} } @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 {43413, title = {Preparation and characterization of microcapsules containing industrially important reactive water-soluble polyamine}, journal = {Colloid and Polymer Science}, volume = {294}, year = {2016}, month = {DEC}, pages = {2039-2050}, abstract = {Polyurea microcapsules containing water-soluble reactive polyamine, namely, polyaziridine (A33), were prepared by interfacial polymerization technique in non-aqueous medium, wherein (i) A33 was encapsulated for the first time as a neat amine without forming its salt or adduct and (ii) microcapsules formed were without any deleterious effect on A33. A systematic study was conducted by preparing microcapsules with different polyurea wall architectures. Fourier transform infrared (FTIR) and proton nuclear magnetic resonance (H-1 NMR) spectroscopic analysis of extracted A33 from microcapsules do not show any structural changes during microencapsulation. A titration method was developed to analyze the amount of encapsulated A33 quantitatively. Polyurea microcapsules obtained from reaction of ethylene diamine (E) and isophorone diisocyanate (I) monomers have shown better properties such as encapsulation efficiency and extent of agglomeration. Significant reduction in the size was observed when microcapsules of EI wall material were prepared by homogenizing the initial emulsion of A33 in paraffin oil. The process described in this paper for the preparation of microcapsules is cost-effective and industrially viable, which can find applications in agrochemicals, coatings, self-healing composites, etc.}, doi = {10.1007/s00396-016-3966-8}, author = {Shukla, Parshuram G. and Jagtap, Siddheshwar B. and Biradar, Satish C. and Charpe, Vaibhav P. and Jadhav, Arun S.} } @article {43038, title = {Product distribution in hydrogenation of styrene oxide over Pd/chitosan catalyst}, journal = {Research on Chemical Intermediates}, volume = {42}, year = {2016}, month = {OCT}, pages = {7581-7595}, abstract = {

Palladium-decorated chitosan catalyst was synthesized by an impregnation method by varying the Pd loading in the range of 1-6 \%, and was evaluated for the regioselective hydrogenation of styrene oxide. In order to correlate the chemical and textural properties with the catalytic activity, all the prepared catalysts were characterized by techniques such as Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, transmission electron spectroscopy, thermo-gravimetric analysis, temperature-programmed desorption of NH3, and CO2 and N-2 physisorption. The synthesized catalysts were utilized for the efficient and regioselective ring opening of styrene oxide by hydrogenation under different conditions. The complete conversion of styrene oxide with 65 \% selectivity for 2-phenyl ethanol and 33 \% for 1-phenyl ethanol were obtained using 4 \% Pd/CS catalyst at 70 degrees C temperature and 3 MPa pressure. The mechanism for the regio selective ring opening of styrene oxide to 1- and 2-phenyl ethanol was also proposed on the basis of properties of the catalyst support, catalytic activity and selectivity. These results indicated that the catalytic activity and selectivity of the catalysts were affected by the nature of support. Further, the basic properties of the support play an important role in the selectivity of the styrene oxide hydrogenation reaction.

}, doi = {10.1007/s11164-016-2554-3}, author = {Viswanadhan, Maya and Potdar, Aparna and Divakaran, Anumon V. and Badiger, Manohar V. and Rode, Chandrashekhar} } @article { ISI:000377822900018, title = {Proteomic insight reveals elevated levels of albumin in circulating immunecomplexes in diabetic plasma}, journal = {Molecular \& Cellular Proteomics}, volume = {15}, number = {6}, year = {2016}, month = {JUN}, pages = {2011-2020}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

A Hyperglycemic condition in diabetes promotes formation of advanced glycation end products, which are known to elicit immune response and form complexes with immunoglobulins called circulating immune complexes. To investigate the involvement of advanced glycation end product (AGE)-modified proteins in the elicitation of an immune response, circulating immune complexes were isolated and proteins associated were identified and characterized. Label-free-based mass spectrometric analysis of circulating immune complexes in clinical plasma of prediabetic, newly diagnosed diabetes, and diabetic microalbuminurea revealed elevated levels of serum albumin in the circulating immune complexes, which were also observed to be AGE modified. Further, to examine the role of glycation, circulating immune complexeswere analyzed in the streptozotocin-induced diabetic mice treated with or without aminoguanidine, a prototype glycation inhibitor. Mass spectrometric analysis of circulating immune complexes showed elevated levels of serum albumin in plasma from diabetic mice over that of control animals. Aminoguanidine-treated diabetic mice displayed decreased AGE modification of plasma albumin, accompanied by a reduced level of albumin in the circulating immune complexes. In addition, elevated levels of proinflammatory cytokines such as IL-1b, IL-2, and TNF-alpha were observed in diabetes, which were reduced with aminoguanidine treatment, suggesting the involvement of glycation in the immune response.

}, issn = {1535-9476}, doi = {10.1074/mcp.M116.058008}, author = {Bhat, Shweta and Jagadeeshaprasad, Mashanipalya G. and Patil, Yugendra R. and Shaikh, Mahemud L. and Regin, Bhaskaran S. and Mohan, Viswanathan and Giri, Ashok P. and Balasubramanyam, Muthuswamy and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000368563000067, title = {Pt- and TCO-free flexible cathode for DSSC from highly conducting and flexible PEDOT paper prepared via in situ interfacial polymerization}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {1}, year = {2016}, month = {JAN}, pages = {553-562}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report the preparation of a flexible, free-standing, Pt- and TCO-free counter electrode in dye-sensitized solar cell (DSSC)-derived from polyethylenedioxythiophene (PEDOT)-impregnated cellulose paper. The synthetic strategy of making the thin flexible PEDOT paper is simple and scalable, which can be achieved via in situ polymerization all through a roll coating technique. The very low sheet resistance (4 Omega/square) obtained from a film of 40 mu m thick PEDOT paper (PEDOT-p-5) is found to be superior to the conventional fluorine-doped tin oxide (FTO) substrate. The high conductivity (357 S/cm) displayed by PEDOT-p-5 is observed to be stable under ambient conditions as well as flexible and bending conditions. With all of these features in place, we could develop an efficient Pt- and TCO-free flexible counter electrode from PEDOT-p-5 for DSSC applications. The catalytic activity toward the tri-iodide reduction of the flexible electrode is analyzed by adopting various electrochemical methodologies. PEDOT-p-5 is found to display higher exchange current density (7.12 mA/cm(2)) and low charge transfer resistance (4.6 Omega) compared to the benchmark Pt-coated FTO glass (2.40 mA/cm(2) and 9.4 Omega, respectively). Further, a DSSC fabricated using PEDOT-p-5 as the counter electrode displays a comparable efficiency of 6.1\% relative to 6.9\% delivered by a system based on Pt/FTO as the counter electrode.

}, keywords = {counter electrode, dye-sensitized solar cell, flexible and thin devices, impedance analysis, interfacial polymerization, polyethylenedioxythiophene}, issn = {1944-8244}, doi = {10.1021/acsami.5b09579}, author = {Anothumakkool, Bihag and Agrawal, Ishita and Bhange, Siddheshwar N. and Soni, Roby and Game, Onkar S. and Ogale, Satishchandra B. and Kurungot, Sreekumar} } @article {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 {43601, title = {Radio-frequency triggered heating and drug release using doxorubicin-loaded LSMO nanoparticles for bimodal treatment of breast cancer}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {145}, year = {2016}, month = {SEP}, pages = {878-890}, abstract = {Radio-frequency responsive nanomaterials combined with drugs for simultaneous hyperthermia and drug delivery are potential anti-cancer agents. In this study, chitosan coated La0.7Sr0.3MnO3 nanoparticles (C-LSMO NPs) were synthesized and characterized by X-ray diffraction, dynamic light scattering, Fourier transform infra red spectroscopy, vibrating sample magnetometer, scanning electron and atomic force microscopy, Under low radio-frequency (365 kHz, RF), C-LSMO NPs (90 nm) showed good colloidal stability (+22 mV), superparamagnetic nature (15.4 emu/g) and heating capacity (57.4W/g SAR value). Chitosan facilitated doxorubicin entrapment (76\%) resulted in DC-LSMO NPs that showed drug release upon a 5 min RF exposure. MCF-7 and MDA-MB-231 cancer cells responded to a 5 min RF exposure in the presence of bimodal DC-LSMO NPs with a significant decrease in viability to 73\% and 88\% (Pearson correlation, r = 1, P<0.01) respectively, as compared to hyperthermia alone. Internalization of DC-LSMO NPs via the endosomal pathway led to an efficient localization of doxorubicin within the cell nucleus. The ensuing DNA damage, heat shock protein induction, and caspase production triggered apoptotic cell death. Moreover, DC-LSMO NPs successfully restricted the migration of metastatic MDA-MB-231 cancer cells. These data suggest that DC-LSMO NPs are potential bimodal therapeutic agents for cancer treatment and hold promise against disease recurrence and drug resistance. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.colsurfb.2016.06.010}, author = {Kulkarni, Vaishnavi M. and Bodas, Dhananjay and Dhoble, Deepa and Ghormade, Vandana and Paknikar, Kishore} } @article { ISI:000371560100018, title = {Rapid methane hydrate formation to develop a cost effective large scale energy storage system}, journal = {Chemical Engineering Journal}, volume = {290}, year = {2016}, month = {APR}, pages = {161-173}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Natural gas (NG) is the cleanest burning fossil fuel and its usage can significantly reduce CO2 emissions from power plants. With its widespread use, there is an ever increasing need to develop technologies to store NG on a large scale. NG storage via clathrate hydrates is the best option for a large scale storage system because of its non-explosive nature, mild storage conditions, high volumetric capacity and being an environmentally benign process. In this work, we demonstrate a new method to achieve rapid methane hydrate formation in an unstirred tank reactor configuration (UTR) at moderate temperature and pressure conditions employing tetrahydrofuran (THF) as a promoter. For the first time, THF is reported to act both as a thermodynamic and an excellent kinetic promoter for methane hydrate formation. We demonstrate a multi-scale experimental validation of our method to a volumetric sample scale-up factor of 120 and internal reactor diameter scale-up factor of 10. Further, new insights on the dissociation behavior of the hydrates are reported. There is a competitive edge for storing NG via clathrate hydrates compared to compressed natural gas storage both in terms of cost and safety. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Energy storage, Enhanced kinetics, Gas hydrates, Natural gas storage, Tetrahydrofuran, Unstirred tank reactor}, issn = {1385-8947}, doi = {10.1016/j.cej.2016.01.026}, author = {Veluswamy, Hari Prakash and Wong, Alison Jia Hui and Babu, Ponnivalavan and Kumar, Rajnish and Kulprathipanja, Santi and Rangsunvigit, Pramoch and Linga, Praveen} } @article { ISI:000371566100001, title = {Recent advances in N-heterocyclic carbene (NHC)-catalysed benzoin reactions}, journal = {Beilstein Journal of Organic Chemistry}, volume = {12}, year = {2016}, month = {MAR}, pages = {444-461}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

N-Heterocyclic carbenes (NHCs) have emerged as a powerful class of organocatalysts that mediate a variety of organic transformations. The Benzoin reaction constitutes one of the earliest known carbon-carbon bond-forming reactions catalysed by NHCs. The rapid growth of NHC catalysis in general has resulted in the development of a variety of benzoin and benzoin-type reactions. An overview of such NHC-catalysed benzoin reactions is presented.

}, keywords = {acyloin reaction, benzoin reaction, N-heterocyclic carbenes, organocatalysis, umpolung}, issn = {1860-5397}, doi = {10.3762/bjoc.12.47}, author = {Menon, Rajeev S. and Biju, Akkattu T. and Nair, Vijay} } @article {42420, title = {Recent advances in N-heterocyclic carbene (NHC)-catalysed benzoin reactions (vol 12, pg 444, 2016)}, journal = {Beilstein Journal of Organic Chemistry}, volume = {12}, year = {2016}, month = {OCT}, pages = {2124-2124}, keywords = {acyloin reaction; benzoin reaction; N-heterocyclic carbenes; organocatalysis; umpolung}, doi = {10.3762/bjoc.12.201}, author = {Menon, Rajeev S. and Biju, Akkattu T. and Nair, Vijay} } @article {45632, title = {Reduced graphene oxide modified electrodes for sensitive sensing of gliadin in food samples}, journal = {ACS Sensors}, volume = {1}, year = {2016}, month = {DEC}, pages = {1462-1470}, type = {Article}, abstract = {

Incidences of food allergies are on the rise, which can greatly affect the well-being of children as well as adults. Intolerance to gluten, a protein composite of gliadin and glutenin, present in wheat, barley, and rye and several cereals, can be the causative agent of celiac disease (CD) and other allergic reactions. A gluten-free diet has become essential for people affected by CD, and consequently, the amount of gluten in food products needs to be strictly controlled. In this paper, we report an electrochemical label-free immunosensor for ultrasensitive and specific detection of gliadin. The sensor takes advantage of the specific properties of porous reduced graphene oxide (prGO) covalently functionalized with anti-gliadin antibodies using 1-pyrenecarboxylic acid as linker molecule. Using differential pulse voltammetry (DPV) and [Fe(CN)6](3-/4-) as a redox probe, a decrease of current is linked to the presence of gliadin. The sensor achieved a detection limit of 1.2 ng mL(-1) over a 1.2-34 ng mL(-1) linear range with high selectivity. The advantages offered by this sensor are the possibility to regenerate the surface of the immunosensor, its rapid and ease of production, as well as applicability for the screening of gliadin concentrations in real food samples, as shown here.

}, keywords = {anti-gliadin antibody, food samples, gliadin, Immunosensor, Porous reduced graphene oxide}, issn = {2379-3694}, doi = {10.1021/acssensors.6b00608}, author = {Chekin, Fereshteh and Singh, Santosh K. and Vasilescu, Alina and Dhavale, Vishal M. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43403, title = {Reductive cyclization of levulinic acid to gamma-valerolactone over non-noble bimetallic nanocomposite}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, year = {2016}, month = {DEC}, pages = {13032-13039}, abstract = {Bimetallic nanoparticles have diverse applications in catalytic processes owing to the differences in individual properties that contribute to their increased catalytic activity. To further improve the efficiency, they are dispersed in an inert support that enhances the catalytic activity toward organic transformations. In this study, we report simple, facile, and cost-effective chemical route for the fabrication of nanocomposites with Fe-Ni bimetallic nanoparticles supported on montmorillonite (MMT) possessing variation in the Fe and Ni content. These composites are characterized with X-ray diffraction, transmission electron microscopy surface area, and NH3-TPD. Fe Ni bimetallic nanoparticles are well-dispersed within MMT structure having particle sizes of about 30-40 nm. Among various compositions of Fe-Ni/MMT catalysts, composite with 25\% Fe and 25\% Ni exhibits >99\% LA conversion with 98\% selectivity to GVL within 1 h. IPA is found to be better solvent for levulinic acid (LA) to gamma-valerolactone (GVL) conversion, while substantial leaching of iron takes place when water is used as a solvent. It is observed that bimetallic sites are responsible for reduction of LA, while strong acidic sites of MMT are favoring subsequent cyclization to GVL. XPS analysis of fresh and reused Fe-Ni/MMT composites suggest that the catalyst surface does not undergo any chemical change during successive cycles, and the catalytic activity is retained up to six cycles. The plausible mechanism for LA to GVL conversion involves reductive cyclization processes through formation of levulinate ester that undergoes lactonization due to synergism in bimetallic nanoparticles and MMT clay.}, doi = {10.1021/acs.iecr.6b03900}, author = {Kadu, Brijesh S. and Hengne, Amol M. and Biradar, Narayan S. and Rode, Chandrashekhar V. and Chikate, Rajeev C.} } @article {45871, title = {Relevance of small laboratory animals as models in translational research: challenges and road ahead}, journal = {Journal of Applied Pharmaceutical Science}, volume = {6}, year = {2016}, month = {MAY}, pages = {198-209}, type = {Article}, abstract = {Translational research using small laboratory animals is being done to demonstrate proof of concept, to study pharmacokinetics as well as to understand efficacy and safety of new drug molecules. During the evaluation of a drug candidate, the assessment of efficacy and safety is normally performed in different experiments using various animal models. In such experiments, efficacy is assessed by mimicking the disease state in animal model while safety is investigated in healthy animals. Inventing new drugs using biotechnological and nanotechnological approaches is becoming a major thrust area in drug research. Apart from this, the development of medicine from traditional knowledge like Ayurveda has emerged as major area for drug industry. Use of conventional in-vivo approaches may not prove useful to answer many questions. Transgenic/knock-out/knock-in animals are now getting space in pharmaceutical research for target identification and validation. Predictability of in-vivo research depends on scientific protocols and methods adopted for model selection and development. Various alternative approaches for in-vivo research are being followed. It is a fact that no animal model is 100 \% capable of mimicking the complex human body but still, researchers have not yet found any alternative model which can completely replace in-vivo models. This review is a holistic approach explaining the various animal models being used for translational research, animal ethical issues, alternative approaches available and provides a critical analysis of major issues/challenges faced in translational research using in-vivo approaches. }, doi = {10.7324/JAPS.2016.60531}, author = {Siddiqui, E. A. and Jagdale, P. and Ahire, K. and Jadhav, S. and Khan, S. A. and Bhosle, S. and Pal, A. and Jamdagni, P. and Chaudhari, B.} } @article { ISI:000373481000005, title = {Restricted diet breadth of the larvae of antheraea assamensis and the role of the labrum-epipharynx and galeal sensilla}, journal = {Entomological Research}, volume = {46}, number = {2}, year = {2016}, month = {MAR}, pages = {128-138}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The silkworm, Antheraea assamensisHelfer (Lepidoptera: Saturniidae), grows primarily on Persea bombycina and Litsea polyantha. To understand if the restricted diet breadth is due to the specific role of gustatory sensilla of the larvae of A.assamensis, the same fifth instar larvae retaining only labrum-epipharynx or galeal sensilla were subjected to food choice tests. The foods used were leaves of two host-plant and two non-host-plant species. Mean per cent consumption and per cent of choosing larvae were used as parameters for drawing conclusions. The finding indicated involvement of the labrum-epipharynx for acceptance and galeal sensilla for rejection of a non-host-plant species. Scanning electron microscope studies revealed the presence of two sensilla on the galea, one lateral and one medial sensilla styloconicum and two gustatory sensilla in the epipharynx of A.assamensis. The study revealed the key role of galeal sensilla in the restrictive diet-breadth of A.assamensis.

}, keywords = {food choice, galea, gustatory organs, labrum}, issn = {1738-2297}, doi = {10.1111/1748-5967.12159}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article {43589, title = {RNAi of selected candidate genes interrupts growth and development of Helicoverpa armigera}, journal = {Pesticide Biochemistry and Physiology}, volume = {133}, year = {2016}, month = {OCT}, pages = {44-51}, abstract = {Helicoverpa armigera is one of the major crop pests and is less amenable to current pest control approaches. RNA interference (RNAi) is emerging as a potent arsenal for the insect pest control over current methods. Here, we examined the effect on growth and development in H. armigera by targeting various enzymes/proteins such as proteases like trypsins (HaTry2, 3, 4 and 6), chymotrypsin (HaChy4) and cysteine protease like cathepsin (HaCATHL); glutathione S-transferases (HaGST1a, 6 and 8); esterases (HaAce4, HaJHE); catalase (HaCAT); super-oxide-dismutase (HaCu/ZnSOD); fatty acid binding protein (HaFabp) and chitin deacetylase (HaCda5b) through dsRNA approach. Significant downregulation of cognate mRNA expression and reduced activity of trypsin and GST-like enzyme were evident upon feeding candidate dsRNAs to the larvae. Among these, the highest mortality was observed in HaAce4 dsRNA fed larvae followed by HaJHE; HaCAT; HaCuZnSOD; HaFabp and HaTry3 whereas remaining ones showed relatively lower mortality. Furthermore, the dsRNA fed larvae showed significant reduction in the larval mass and abnormalities at the different stages of H. armigera development compared to their control diets. For example, malformed larvae, pupae and moth at a dose of 60 pg/day were evident in high number of individual insects fed on dsRNA containing diets. Moreover, the growth and development of insects and moths were retarded in dsRNA fed larvae. These findings might provide potential new candidates for designing effective dsRNA as pesticide in crop protection. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.pestbp.2016.03.006}, author = {Chikate, Yojana R. and Dawkar, Vishal V. and Barbole, Ranjit S. and Tilak, Priyadarshini V. and Gupta, Vidya S. and Giri, Ashok P.} } @article {43579, title = { Robust highly flexible all-solid-state micro pseudocapacitor based on ternary oxide CuCo2O4 having ultrathin porous nanowall type morphology blended with CNT}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5159-5164}, abstract = {In this work we demonstrate a facile approach to the fabrication of all solid state flexible interdigitated micro pseudocapacitor device using pre-synthesized CuCo2O4 (CCO) ternary metal oxide as the electrode material. The hydrothermally synthesized CCO exhibits a peculiar 3D interconnected aligned porous nanowall type morphology which is highly desirable for storage as well as charge transfer. The device is fabricated using CO2 laser scribing technique and the PVA-H3PO4 gel electrolyte is used as the electrolyte. The as-synthesized CCO as well as its blend with 10 wt.\% CNT are examined for the electrochemical performance. CNT blending is shown to reduce the charge transfer resistance dramatically, thereby enhancing the pseudo capacitance. The areal capacitance of 2.29 mF cm(-2) is obtained from the solid state device. Moreover, the CCO-CNT electrode also shows a high stability upto 9000 cycles without a sign of further decay. Importantly, the devices also retain over 65\% of their initial capacitance after 1000 large angle (608) bending cycles and 93\% of the initial capacitance under 1208 bending condition, thanks to the mechanical flexibility afforded by CNTs without disrupting conducting paths.}, doi = {10.1002/slct.201601348}, author = {Basu, Aniruddha and Bhardwaj, Monika and Gawli, Yogesh and Rode, Chandrasekhar V. and Ogale, Satishchandra B.} } @article {43591, title = {Role of acceptor strength on OFET properties of small molecular organic semiconducting materials with D-A-D architecture}, journal = {Synthetic Metals}, volume = {220}, year = {2016}, month = {OCT}, pages = {236-246}, abstract = {Two organic semiconducting materials 2,5-didodecyl-3,6-bis(4-(11-dodecyl-11H-benzo[a]carbazol-8yl)phenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione. (BCDPP) and 1,5-didodecyl-3,7-bis(4-(11-dodecyl-11H-benzo[a]carbazol-8-yl)phenyl)dipyrrolo[3,2-b:3{\textquoteright},2{\textquoteright}-e]pyrazine-2,6(1H,5H)-dione (BCPzDP) with D-A-D architecture have been designed, synthesized and well characterized. Both the materials have benzocarbazole donor end-capping units. While BCDPP contains well explored diketopyrrolopyrrole (DPP), BCPzDP possesses electron deficient dipyrrolopyrazinedione (PzDP) as acceptor moiety. The importance of the nature of acceptor moiety in tuning the charge transport properties of the synthesized materials is explored. Thermal, photo-physical and electrochemical properties of these materials are measured and solution processed OFETs are fabricated. OFETs with BCDPP show unipolar p-type semiconducting properties with hole mobility of 1.02 x 10(-4) cm(2) V-1 s(-1) and OFETs of BCPzDP exhibit ambipolar charge transport behaviour with optimal saturation hole and electron mobilities of 0.0054 and 0.0013 cm(2) V-1 s(-1), respectively. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.synthmet.2016.06.006}, author = {Sasikumar, M. and Bharath, D. and Kumar, G. Siva and Chereddy, Narendra Reddy and Chithiravel, S. and Krishnamoorthy, K. and Shanigaram, Balaiah and Bhanuprakash, K. and Rao, V. Jayathirtha} } @article { ISI:000370489600002, title = {Role of aliphatic hydrocarbon content in non-solvating porogens toward porosity of cross-linked microbeads}, journal = {Polymer}, volume = {86}, year = {2016}, month = {MAR}, pages = {8-14}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Megaporous spherical acrylate copolymer beads were synthesized by suspension polymerization using non-solvating porogens. Non-solvating porogens with higher aliphatic hydrocarbon content generated megaporous morphology with lower surface area. Surface area increased and inversely megaporosity was decreased with decrease in the aliphatic hydrocarbon content of porogen. Megaporosity (5.47 mu m) and pore volume of 5.52 cm(3)/g was obtained with n-decanol. Thermal property of copolymer is a function of type (rigidity/flexibility/elemental composition) and concentration (cross-link density) of monomer and cross-linker. Copolymer containing rigid cross-linker (divinylbenzene) had better thermal stability over copolymer with flexible cross-linker (ethylene dimethacrylate). Further, higher concentration of rigid cross-linker or lower concentration of flexible cross-linker enhanced the thermal stability. Porous polymers are potentially recognized as a solid support for solid-phase synthesis. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Cross-linked microbeads, Interfacial tension, Megaporosity, Non-solvating porogens, Thermal properties}, issn = {0032-3861}, doi = {10.1016/j.polymer.2016.01.022}, author = {Mane, Sachin and Badiger, Manohar V. and Rajan, C. R. and Ponrathnam, Surendra and Chavan, Nayaku} } @conference {45823, title = {Role of Rhamnolipid: A biosurfactant in methane gas hydrate formation kinetics}, booktitle = {Proceedings of The First International Conference on Recent Advances in Bioenergy Research}, year = {2016}, month = {FEB}, publisher = {Sardar Swaran Singh Natl Inst Bio-Energy}, organization = {Sardar Swaran Singh Natl Inst Bio-Energy}, address = {7th Floor, Vijaya Building, 17, Barakhamba Rd, New Delhi, 110 001, India}, abstract = {

Naturally occurring methane gas hydrate is a vast source of methane gas which is trapped in crystalline ice-like structure present in permafrost regions and under the sea in outer continental margins. It is purposed that total amount of carbon in the form of methane hydrates is almost twice the carbon content in all the fossil fuel reserves put together, and hence these are supposed to be the future potential energy resource. This paper investigates the laboratory investigations on effect of a biosurfactant rhamnolipid on methane hydrate formation kinetics. Rhamnolipid was produced by Pseudomonas aeruginosa strain A11. The presence of P. aeruginosa has been reported in Gulf of Mexico gas hydrate samples. Biosurfactant reduced the surface tension of water from 72 to 36 mN/m with CMC of 70 mg/L. The biosurfactant dose is studied at two different concentrations in the solution at 100 and 1000 ppm. Kinetic of hydrate formation and growth is compared at 0, 100, and 1000 ppm of rhamnolipid showing that rhamnolipid acts as a hydrate promoter at these concentrations. Thus, small dosages of rhamnolipids produced by P. aeruginosa strain A11 must clearly affect the gas hydrate formation kinetics in natural sites (as in Gulf of Mexico).

}, keywords = {Induction time, methane hydrate, Potential energy resource, Pseudomonas aeruginosa, Rhamnolipid}, isbn = {978-81-322-2773-1; 978-81-322-2771-7}, doi = {10.1007/978-81-322-2773-1_25}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Kumar, Rajnish and Singh, Anil Kumar and Kumar, Pushpendra and Balomajumder, Chandrajit and Laik, Sukumar}, editor = {Kumar, S and Khanal, SK and Yadav, YK} } @article { ISI:000377612300015, title = {Scandium triflate catalyzed unexpected cleavage of C-C bonds in ynones}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {NOV}, pages = {223-232}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An unexpected C-C bond cleavage in ynones in the presence of catalytic amounts of Sc(OTf)(3) in methanol under microwave irradiation has been discussed. The effect of substituent on the regioselectivity of C-C bond cleavage has carefully been addressed by employing various ynones derivatives. The mechanism has been proposed for the observed regioselectivity.

}, keywords = {C-C bond cleavage, Esters, Ketones, scandium triflate, ynones}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.244}, author = {Kavthe, Rahul D. and Bansode, Avinash H. and Patil, Nitin T.} } @article { ISI:000369658100031, title = {Seeding of Au on CdSe/CdS nanoplates using Langmuir-Blodgett technique}, journal = {RSC Advances}, volume = {6}, number = {18}, year = {2016}, month = {JAN}, pages = {14658-14665}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe/CdS nanoplates were synthesized by hot injection technique which formed a stable monolayer over both a water subphase and an aqueous HAuCl4 subphase using a Langmuir-Blodgett trough. Au islands were generated at the edge as well as on one specific surface of the flat nanoplates by exploiting the reducing capacity of oleyl amine to form Au nanoseeds from AuCl4- ions. The initial Au nanoseeds changed to a shell surrounding these nanoplates on prolonged exposure to the subphase containing the Au precursor. Monolayer of the hybrid structures was deposited onto suitable substrates for characterization by a number of different techniques and to study the photocatalytic activity. The same substrate with the monolayers could be re-used in several cycles of photocatalysis.

}, issn = {2046-2069}, doi = {10.1039/c5ra26018c}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {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 {43609, title = {Selenium-containing fused bicyclic heterocycle diselenolodiselenole: field effect transistorstudy and structure property relationship}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUL}, pages = {18222-18230}, abstract = {The first application of the diselenolodiselenole (C4Se4) heterocycle as an active organic field effect transistor materials is demonstrated here. C4Se4 derivatives (2a-2d) were obtained by using a newly developed straightforward diselenocyclization protocol, which includes the reaction of diynes with selenium powder at elevated temperature. C4Se4 derivatives exhibit strong donor characteristics and planar structure (except 2d). The atomic force microscopic analysis and thin-film X-ray diffraction pattern of compounds 2a-2d indicated the formation of distinct crystalline films that contain large domains. A scanning electron microscopy study of compound 2b showed development of symmetrical grains with an average diameter of 150 nm. Interestingly, 2b exhibited superior hole mobility, approaching 0.027 cm(2) V-1 s(-1) with a transconductance of 9.2 mu S. This study correlate the effect of p-stacking, Se center dot center dot center dot Se intermolecular interaction, and planarity with the charge transport properties and performance in the field effect transistor devices. We have shown that the planarity in C4Se4 derivatives was achieved by varying the end groups attached to the C4Se4 core. In turn, optoelectronic properties can also be tuned for all these derivatives by end-group variation.}, doi = {10.1021/acsami.6b02154}, author = {Debnath, Sashi and Chithiravel, Sundaresan and Sharma, Sagar and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article {43662, title = {Self-exfoliated metal-organic nanosheets through hydrolytic unfolding of metal-organic polyhedra}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2016}, month = {MAY}, pages = {7361-7366}, chapter = {7361-7366}, abstract = {Few-layers thick metal-organic nanosheets have been synthesized using water-assisted solid-state transformation through a combined top-down and bottom-up approach. The metal-organic polyhedra (MOPs) convert into metal-organic frameworks (MOFs) which subsequently selfexfoliate into few-layered metal-organic nanosheets. These MOP crystals experience a hydrophobicity gradient with the inner surface during contact with water because of the existence of hydrophobic spikes on their outer surface. When the amount of water available for interaction is higher, the resultant layers are not stacked to form bulk materials; instead few-layered nanosheets with high uniformity were obtained in high yield. The phenomenon has resulted high yield production of uniformly distributed layered metal-organic nanosheets from three different MOPs, showing its general adaptability.}, doi = {10.1002/chem.201700848}, author = {Garai, Bikash and Mallick, Arijit and Das, Anuja and Mukherjee, Rabibrata and Banerjee, Rahul} } @article {42669, title = {Silver nanoparticles: a new perspective in endodontic therapy}, journal = {OAB Journal}, volume = {7}, year = {2016}, month = {JUN}, pages = { 77-81}, abstract = {

Silver has been in use in medicine since time immemorial because of its antimicrobial properties. But due to the emergence of antibiotics the use of silver has been declined. Several pathogenic bacteria have developed resistance against various antibiotics. This has led to reemergence of silver. Recently nano science and nanotechnology are gaining tremendous popularity. The small size of nanoparticles provides larger surface area and hence increases the effectiveness of nanoparticles. Silver nanoparticles are used in medical and dental applications ranging from silver based wound dressings, silver coated medicinal devices like catheters, endotrachial tubes, bone cements, in gels, lotions, cosmetics, in dental restorative materials, endodontic cements, dental implants caries inhibitory agents, and in prosthesis. The purpose of this article is to discuss briefly the potential role of silver nano particles in endodontic therapy.

}, author = {Jadhav, Rajashree and Bhide, Shrinivas and Bhagavatula L. V. Prasad and Kunchiraman, Bipinraj and Shimpi, Jayesh and Nandhini, Usha} } @article { ISI:000381122100030, title = {Single pot transfer hydrogenation and aldolization of furfural over metal oxide catalysts}, journal = {Catalysis Letters}, volume = {146}, number = {8}, year = {2016}, month = {AUG}, pages = {1611-1619}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

One pot catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol (FAL) by using hydrogen producing alcohols and simultaneous aldolization of carbonyl compounds produced during CTH, with furfural was achieved over non-noble metal oxides with bifunctional sites. Basic sites of MgO responsible for abstraction of proton showed complete conversion of furfural to give FAL and C8 monomer in a ratio of 3:1, respectively, the later altered to 1:1 by incorporating Al into MgO. Catalyst stability was established by its four cycles study. [GRAPHICS]

}, keywords = {Aldol, furfural, Furfuryl alcohol, Metal oxides, transfer hydrogenation}, issn = {1011-372X}, doi = {10.1007/s10562-016-1786-6}, author = {Biradar, Narayan S. and Hengne, Amol M. and Sakate, S. S. and Swami, R. K. and Rode, Chandrashekhar V.} } @article { ISI:000380038000012, title = {Site-selective synthesis and characterization of BODIPY-acetylene copolymers and their transistor properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {13}, year = {2016}, month = {JUL}, pages = {1978-1986}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

To study the effect of site-selective copolymerization of borondipyrromethene (BODIPY) with acetylene on the structural and optoelectronic properties, three copolymers P1-P3 were synthesized by the Sonogashira cross-coupling of BODIPY units with diacetylene and bromine capping through all the possible linkages: alpha-alpha (P1), alpha-beta (P2), and beta-beta (P3). The optoelectronic properties of the polymers were investigated systematically to understand the effect of site-selective polymerization. The HOMO levels of the polymers were significantly tuned from P1 to P3 with negligible change in the LUMO levels. Broadening of absorption spectra from P3 to P1 was observed because of increase in the extent of conjugation. Additionally, the charge transport properties of these polymers in organic thin-film transistors (OTFTs) revealed that P1 and P3 exhibited only p-type mobility, whereas P2 exhibited electron mobility. Notably, the further investigations of the surface morphology of polymer films by atomic force microscopy (AFM) unveiled that comb like nanostructural arrangements in P3 was beneficial for the charge-carrier mobility over the circular arrangements in P1 and P2. (C) 2016 Wiley Periodicals, Inc.

}, keywords = {acetylene, BODIPY, DFT, low-band gap}, issn = {0887-624X}, doi = {10.1002/pola.28064}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000372253200047, title = {Situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, number = {28}, year = {2016}, month = {FEB}, pages = {23508-23517}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, issn = {2046-2069}, doi = {10.1039/c6ra01488g}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article {43629, title = {SnS2 nanoflakes for efficient humidity and alcohol sensing at room temperature}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {105421-105427}, abstract = {We report a one step facile hydrothermal synthesis of layered SnS2 nanoflakes. The as-synthesized nanosheets are characterized using X-ray diffraction, Raman spectroscopy and Transmission Electron Microscopy (TEM). The humidity sensing behavior of SnS2 nanoflake sensor device were investigated in the range of 11-97\% of relative humidity (RH) at room temperature. The response time of similar to 85 s and recovery time of similar to 6 s were observed for the SnS2 nanoflake based humidity sensor. A maximum sensitivity of 11.300\% is recorded. We also investigate the SnS2 nanoflake based alcohol sensing properties towards methanol, ethanol and iso-propyl alcohol. An exclusive selectivity towards methanol with a response of 1580 is shown as compared to other analytes. The response time of similar to 67 s and recovery time of just 5 s were observed for the SnS2 nanoflake based methanol sensor.}, doi = {10.1039/c6ra21252b}, author = {Bharatula, Lakshmi Deepika and Erande, Manisha B. and Mulla, Imtiaz S. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000370664300002, title = {Solid acid catalyzed synthesis of furans from carbohydrates}, journal = {Catalysis Reviews-Science and Engineering}, volume = {58}, number = {1}, year = {2016}, month = {JAN}, pages = {36-112}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

The alternative feedstock, biomass (particularly lignocelluloses), having the profuse availability, is promising for the synthesis of several value-added chemicals which are currently obtained from fossil feedstock. In this article, the synthesis of two extremely significant furan chemicals viz. furfural and 5-hydroxymethylfurfural (HMF) are discussed. In the synthesis of furans from biomass, numerous challenges, i.e., use of edible sugars as substrates, selectivity to furans, their isolation in pure form, reuse of catalyst, environmental issues, etc., are perceived and in the recent past researchers tried to resolve those by developing advance methodologies. This article comprehensively summarizes the latest progress made in the above-mentioned areas and also provides commentary on the analyses of results, rationale for observed activity and mechanisms, etc. It also discusses future aspects of this work.

}, keywords = {Biomass conversion, carbohydrates, cellulose, furans, furfural, hemicelluloses, HMF, solid acid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2015.1099894}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000369515700086, title = {Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {JAN}, pages = {8416-8430}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra22683j}, author = {Bakthavatsalam, Rangarajan and Ghosh, Subrata and Biswas, Ratul Kumar and Saxena, Aayushi and Raja, Alagar and Thotiyl, Musthafa Ottakam and Wadhai, Sandip and Banpurkar, Arun G. and Kundu, Janardan} } @article {43632, title = {Spatially branched CdS-Bi2S3 heteroarchitecture: single step hydrothermal synthesis approach with enhanced field emission performance and highly responsive broadband photodetection}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {SEP}, pages = {95092-95100}, abstract = {This report explores the controlled hierarchical synthesis of CdS nanostructure branches on Bi2S3 nanorod cores via a facile single step hydrothermal route. Morphological and structural studies reveal the formation of CdS-Bi2S3 heteroarchitecture with excellent stoichiometry between the constituent elements. The growth of CdS over Bi2S3 strongly depends on optimization of the reaction conditions, especially low PVP concentration. Furthermore, the as-synthesized CdS-Bi2S3 heteroarchitecture demonstrates multifunctionality in field emission and photoresponse. Interestingly, the CdS-Bi2S3 heteroarchitecture shows enhanced field emission properties such as low turn-on field (similar to 1.8 V mu m(-1) for 10 mu A cm(2)), high emission current density and better current stability in comparison to Bi2S3 and other nanostructures. The as-synthesized CdS-Bi2S3 heteroarchitecture exhibits considerable response and recovery times, similar to 207 ms and 315 ms, respectively in comparison to bare Bi2S3 nanostructures (similar to 655 ms and 678 ms). The present results demonstrate CdS-Bi2S3 heteroarchitecture as a potential candidate for future optoelectronic device applications.}, doi = {10.1039/c6ra21085f}, author = {Bankar, Prashant K. and Pawar, Mahendra S. and Pawbake, Amit S. and Warule, Sambhaji S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000381182700004, title = {Spectacular rate enhancement of the diels-alder reaction at the ionic liquid/n-hexane interface}, journal = {Chemphyschem}, volume = {17}, number = {13}, year = {2016}, month = {JUL}, pages = {1969-1972}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The use of the ionic liquid/n-hexane interface as a new class of reaction medium for the Diels-Alder reaction gives large rate enhancements of the order of 10(6) to 10(8) times and high stereoselectivity, as compared to homogeneous media. The rate enhancement is attributed to the H-bonding abilities and polarities of the ionic liquids, whereas the hydrophobicity of ionic liquids was considered to be the factor in controlling stereoselectivity.

}, keywords = {Diels-Alder reaction, Interfaces, ionic liquids, kinetics, stereoselectivity}, issn = {1439-4235}, doi = {10.1002/cphc.201600006}, author = {Beniwal, Vijay and Manna, Arpan and Kumar, Anil} } @article {43641, title = {State-of-the-art catechol porphyrin COF catalyst for chemical fixation of carbon dioxide via cyclic carbonates and oxazolidinones}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {MAY}, pages = {6152-6158}, abstract = {A highly porous, crystalline catechol porphyrin COF was synthesized and applied as an organocatalyst for the chemical fixation of carbon dioxide to synthesize value-added chemicals such as cyclic carbonates and oxazolidinones under solvent-free and transition-metal-free conditions. The high surface area and the functionalities of the COF catalyst act synergistically to activate the starting material. The 2,3-DhaTph shows excellent activity towards cyclic carbonates at the atmospheric pressure of carbon dioxide. Additionally, this catalytic system is recyclable in nature and provides a higher turnover number than previously reported organocatalysts.}, doi = {10.1039/c6cy00362a}, author = {Saptal, Vitthal and Shinde, Digambar Balaji and Banerjee, Rahul and Bhanage, Bhalchandra M.} } @article { ISI:000381165300025, title = {Studies of synergy between metal-support interfaces and selective hydrogenation of HMF to DMF in water}, journal = {Journal of Catalysis}, volume = {340}, year = {2016}, month = {AUG}, pages = {248-260}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Metal-support interfaces play a very important role in heterogeneous catalysis. The interfacial interactions not only are responsible for stabilizing the necessary oxidation state to facilitate the reaction but also enhance the stability of the catalyst system. Nano dispersion of Ni on mesoporous nitrogen-rich carbon material has been achieved using two different synthesis methods. It was observed that nickel (0) gets stabilized by strong interfacial interaction with the nitrogen atoms of the support material, and the material was found to be very economic and efficient for the conversion of HMF to DMF in aqueous medium. The material shows \>= 99\% conversion to 5-(hydroxymethyl) furfural (HMF) within 6 h of reaction with 98.7\% DMF selectivity. A unique correlation between synthesis methods and particle sizes with catalytic performance has been observed for these newly developed materials. Furthermore, a DFT calculation has been performed to predict the reaction mechanism. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {biofuels, Biomass, Hydrogenation, mesoporous carbon, Ni-CNx}, issn = {0021-9517}, doi = {10.1016/j.jcat.2016.05.012}, author = {Goyal, Reena and Sarkar, Bipul and Bag, Arijit and Siddiqui, Nazia and Dumbre, Deepa K. and Lucas, Nishita and Bhargava, Suresh Kumar and Bordoloi, Ankur} } @article { ISI:000375255500006, title = {Study of magnetic entropy and heat capacity in ferrimagnetic Fe3Se4 nanorods}, journal = {Journal Of Physics D-Applied Physics}, volume = {49}, number = {19}, year = {2016}, month = {MAY}, pages = {195003}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Change in the magnetic entropy and specific heat capacity in Fe3Se4 nanorods synthesized by a wet-chemical method in a broad temperature (215-340 K) and magnetic field range (0-60 k Oe) was studied. The isothermal magnetic entropy change (Delta S-M) is estimated by an indirect method from the isothermal magnetization curves measured in this temperature range. S-M(max) of -46 x 10(-2) J kg(-1).K-1 was obtained at similar to 317 K when the field was changed from 0 to 60 kOe. The maximum in the isothermal magnetic entropy change (Delta S-M) is observed in close proximity to TC (similar to 323 K), which is linked to the order-disorder transition. The nature of this transition was analyzed by universal curve behavior. The temperature and magnetic field dependence of specific heat capacity was studied and analyzed to estimate the adiabatic temperature change (Delta T-ad). The magnetic entropy change of Fe3Se4 nanoparticles is found to be comparable with similar ferrite and manganite nanoparticle systems and a broad operating temperature window of similar to 30 K was observed around room temperature.

}, keywords = {heat capacity, iron selenide, Magnetic anisotropy, magnetic entropy, order-disorder phase transition}, issn = {0022-3727}, doi = {10.1088/0022-3727/49/19/195003}, author = {Sen Bishwas, Mousumi and Poddar, Pankaj} } @article {42429, title = {Substrate-controlled selectivity switch in the three-component coupling involving arynes, aromatic tertiary amines, and CO2}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5424{\textendash}5427}, abstract = {

The transition-metal-free multicomponent coupling involving arynes, aromatic tertiary amines, and CO2\ is reported. The reaction exhibits switchable selectivity depending on the electronic nature of the aromatic amines used. With amines bearing electron-releasing/neutral groups as the nucleophilic trigger, the reaction afforded 2-arylamino benzoates via a nitrogen to oxygen alkyl group migration. Employing electron-deficient amines in the reaction furnished 2-aminoaryl benzoates proceeding via the aryl to aryl amino group migration resembling a Smiles rearrangement.

}, doi = {10.1021/acs.orglett.6b02845}, author = {Bhojgude, Sachin Suresh and Roy, Tony and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000369537900099, title = {Sunlight assisted degradation of dye molecules and reduction of toxic Cr(VI) in aqueous medium using magnetically recoverable Fe3O4/reduced graphene oxide nanocomposite}, journal = {RSC Advances}, volume = {6}, number = {13}, year = {2016}, month = {JAN}, pages = {11049-11063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In view of the significant impact of magnetically recoverable catalysts in photocatalytic applications, Fe3O4/reduced graphene oxide (rGO) nanocomposite photocatalyst was synthesized by adopting an eco-friendly solution chemistry approach and has been characterized by high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and photoluminescence (PL) spectroscopy. Fe3O4/rGO nanocomposite is efficiently utilized towards photocatalytic degradation of carcinogenic and mutagenic cationic as well as anionic dye molecules namely methyl green (MG), methyl blue (MB) and rhodamine B (RhB) under direct sunlight irradiation. The Fe3O4/rGO nanocomposite also demonstrated excellent photocatalytic reduction of aqueous Cr(VI) solution to nontoxic aqueous Cr(III) solution of more than 96\% within 25 min under sunlight irradiation. Moreover, reusability of the magnetically recovered photocatalyst was studied efficiently up to 10 cycles in the degradation process. The catalyst was also characterized after the degradation of the dye molecule and the particle size of the Fe3O4 nanoparticles on the rGO sheets remained unchanged. The present investigation focuses on the importance of the use of Fe3O4/rGO nanocomposite towards photocatalytic degradation of waste water containing organic dye pollutants and toxic Cr(VI), as an easily recoverable and reusable photocatalyst with potential for many environmental remediation applications.

}, issn = {2046-2069}, doi = {10.1039/c5ra25035h}, author = {Boruah, Purna K. and Borthakur, Priyakshree and Darabdhara, Gitashree and Kamaja, Chaitanya Krishna and Karbhal, Indrapal and Shelke, Manjusha V. and Phukan, Pallabi and Saikia, Dulen and Das, Manash R.} } @article { ISI:000375810400037, title = {Supramolecular metallogel that imparts self-healing properties to other gel networks}, journal = {Chemistry of Materials}, volume = {28}, number = {9}, year = {2016}, month = {MAY}, pages = {3210-3217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A unique proton conductive and moldable supramolecular metallogel (CuA-Ox-gel) made upon mixing at room temperature well-defined stock solutions of Cu(OAc)(2). H2O and oxalic acid dehydrate was found to have self-healing properties. Remarkably, the system also displayed an unprecedented ability to impart self-healing properties to other gel networks lacking this capacity. A self-healed CuA-Ox metallogel was found to have essentially the same nanofibrillar morphology, thermal stability, rheological properties, and conductivity as the freshly prepared sample. The discovery also allowed the fabrication of self-healing conductive composites containing conductive carbonaceous materials. Overall, this work serves as a proof of concept for the transfer of self-healing properties between completely different gel networks.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01144}, author = {Feldner, Tobias and Haering, Marleen and Saha, Subhadeep and Esquena, Jordi and Banerjee, Rahul and Diaz, David Diaz} } @article {43404, title = {Surface chemical bonds, surface-enhanced Raman scattering, and dielectric constant of SiO2 nanospheres in-situ decorated with Ag-nanoparticles by electron-irradiation}, journal = {Journal of Applied Physics}, volume = {120}, year = {2016}, month = {DEC}, pages = {Article Number: 234901}, abstract = {Nanostructures of dielectric materials decorated with metal nanoparticles are of great scientific interest; however, the involved synthesis methods are complicated and require multistep chemical processing, including functionalization of the dielectric surfaces. In the present work, without chemical processes, silver nanoparticles of average sizes in the range of 11 to 15 nm were in-situ synthesized and decorated on SiO2 nanospheres in a single step process by irradiating a solution (AgNO3-polyvinylpyrrolidone (PVP)-SiO2 nanospheres) with 6 MeV electrons at 1.5 x 10(15) e(-)/cm(2), 3.0 x 10(15) e(-)/cm(2), and 4.5 x 10(15) e(-)/cm(2) fluences. The electron irradiated solutions were characterized with different surface and other techniques. The results revealed that the SiO2 nanospheres were uniformly decorated with Ag nanoparticles, and the prominent chemical bonds involved were Ag-O, Si-O-Ag, and Si-Ag. Moreover, the sizes and the decoration density of Ag nanoparticles could be tailored by varying electron fluence. The Surface-enhanced Raman scattering (SERS) of 4-aminothiophenol (4-ATP) solutions was studied using substrates in the form of thin coatings of the solutions of Ag-decorated SiO2 nanospheres. The appearance of the characteristic SERS peaks of both 4-ATP and 4, 4{\textquoteright}-dimercaptoazobenzene (4, 4{\textquoteright}-DMAB) in Raman spectra confirmed the conversion of a fraction of 4-ATP into 4, 4{\textquoteright}-DMAB in the presence of Ag nanoparticles. Composites in the form of thin films were synthesized from the mixture solutions of PVP and Ag-decorated SiO2 nanospheres. The dielectric constant of each thin film was higher as compared to polymers, and could be tailored by varying electron fluence used for decorating Ag nanoparticles. Published by AIP Publishing.}, doi = {10.1063/1.4971866}, author = {Phatangare, A. B. and Dhole, S. D. and Dahiwale, S. S. and Mathe, V. L. and Bhoraskar, S. V. and Late, Dattatray J. and Bhoraskar, V. N.} } @article { ISI:000375270600080, title = {Surface modification of aligned CdO nanosheets and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, number = {47}, year = {2016}, month = {APR}, pages = {41261-41267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Porous aligned CdO nanosheets were grown on a cadmium (Cd) substrate by the simple and cost effective method of thermal annealing. Further, decoration of gold (Au) nanoparticles on the porous aligned CdO nanosheets (specimen A) was achieved by coating with a Au thin film and subsequent annealing treatment. The average diameters of decorated Au nanoparticles were found to be 15 nm, 21 nm and 28 nm for the Au thin films with 20 s, 40 s and 60 s (specimens B, C, and D) coating times. Detailed characterizations, such as structural and morphological analysis of porous CdO nanosheets and Au/CdO nanocomposite (Au decorated porous CdO nanosheets), have been carried out using a Field Emission Scanning Electron Microscope (FESEM), X-ray diffraction (XRD) and a Transmission Electron Microscope (TEM). Field emission studies of specimens A, B, C and D were carried out in the planar diode configuration. Turn-on fields of 1.9 V mu m(-1), 1.1 V mu m(-1), 2.4 V mu m(-1) and 2.8 V mu m(-1) have been found for the emission current density of 10 RA cm(-2) for specimens A, B, C and D, respectively. The observed low turn -on field of specimen B (Au diameter of 15 nm) was found to be superior to other semiconducting nanostructures reported in the literature. The field emission current stability over a period of 3 h at the preset current density of 1 RA cm(-2) is found to be excellent for all specimens. To the best of our knowledge, field emission studies along with surface modification of porous aligned CdO nanosheets have not been reported in the literature. The simple synthesis route, facile surface modification and the superior field emission results make the present emitter very suitable for micro/nano electronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra28000a}, author = {Bagal, Vivekanand S. and Patil, Girish P. and Deore, Amol B. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000372766400005, title = {Surface tailored PS/TiO2 composite nanofiber membrane for copper removal from water}, journal = {Journal of Colloid and Interface Science}, volume = {469}, year = {2016}, month = {MAY}, pages = {31-37}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Polystyrene (PS)/TiO2 composite nanofiber membranes have been fabricated by electrospinning process for Cu2+ ions removal from water. The surface properties of the polystyrene nanofibers were modulated by introducing TiO2 nanoparticles. The contact angle of the PS nanofiber membrane was found to be decreased with increasing concentration of TiO2, depicted enhanced hydrophilicity. These membranes were highly effective in adsorbing Cu2+ ions from water. The adsorption capacity of these membranes was found to be 522 mg/g, which is significantly higher than the results reported by other researchers. This was attributed to enhanced hydrophilicity of the PS/TiO2 composite nanofiber membranes and effective adsorption property of TiO2 nanoparticles. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {electrospinning, Metal ion adsorption, Nanofiber, TiO2, Water treatment/purification}, issn = {0021-9797}, doi = {10.1016/j.jcis.2016.01.054}, author = {Wanjale, Santosh and Birajdar, Mallinath S. and Jog, Jyoti Prakash and Neppalli, Ramesh and Causin, Valerio and Karger-Kocsis, Jozsef and Lee, Jonghwi and Panzade, Prasad} } @article {43058, title = {Sustainable catalytic process for synthesis of triethyl citrate plasticizer over phosphonated USY zeolite}, journal = {Bulletin of Chemical Reaction Engineering and Catalysis}, volume = {11}, year = {2016}, month = {OCT}, pages = {292-298}, abstract = {

Fruits wastage is harmful to health and environment concerning spreading diseases and soil pollution, respectively. To avoid this issue, use of citrus fruit waste for the production of citric acid (CA) is one of viable mean to obtain value added chemicals. Moreover, synthesis of triethyl citrate (TEC), a non-toxic plasticizer by esterification of CA with ethanol over heterogeneous catalyst would be renewable and sustainable catalytic process. In this context, parent Ultrastable Y (USY) and different percentage phosphonated USY (P-USY) zeolites were used for the synthesis of TEC in a closed batch reactor, for the first time. The synthesized catalysts were characterized by N2-adsorption desorption isotherm, powder X-ray diffraction (XRD) and NH3 temperature programmed desorption (TPD. Effect of reaction conditions, such as the molar ratio of ethanol to CA (5:1 - 20:1), the catalyst to CA ratio (0.05-0.25) and reaction temperature (363-403 K), were studied in view to maximizing CA conversion and TEC yield. Phosphonated USY catalysts were found to be superior in activity (CA conversion and TEC yield) than parent USY, which is attributed to the increased in total acidity with phosphonation. Among the studied catalysts, the P2USY (2\% phosphorous loaded on USY) was found to be an optimum catalyst with 99\% CA conversion and 82\% TEC yield, which is higher than the reported values. This study opens new avenues of research demonstrating principles of green chemistry such as easy separable and reusable catalyst, non-toxic product, bio-renewable synthetic route, milder operating parameters and waste minimization.

}, doi = {10.9767/bcrec.11.3.569.292-298}, author = {Nandiwaleand, Kakasaheb Y. and Bokade, Vijay V.} } @article {42694, title = {Sustainable Iron-catalyzed direct imine formation by acceptorless dehydrogenative coupling of alcohols with amines}, journal = {Green Chemistry}, volume = {18}, year = {2016}, month = {MAY}, pages = {3232-3238}, abstract = {

The Acceptorless Dehydrogenative Coupling (ADC) of alcohols with amines is reported using a heterogeneous Fe-catalyst. The reaction operates under mild conditions with the liberation of dihydrogen and water as the byproducts. The developed ADC strategy is simple, efficient, exhibits wide functional group tolerance and can be scaled up. The present catalytic approach possesses a dual role; acting as a catalyst as well as being magnetically separable. The sustainable reuse of a heterogeneous iron catalyst is also shown.

}, doi = {10.1039/C6GC00565A}, author = {Jaiswal, Garima and Landge, Vinod Gokulkrishna and Jagadeesan, Dinesh and Balaraman, Ekambaram} } @article { ISI:000380574100052, title = {Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {15}, year = {2016}, month = {AUG}, pages = {3646-3651}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of more potent and safe new antitubercular agents, here new 2-pyridinyl substituted thiazolyl-5-aryl-1,3,4-oxadiazoles (6a-o), have been designed and synthesized using thionicotinamide as a starting, following novel multistep synthetic route. An intermediate, pyridinyl substituted thiazolyl acid hydrazide (4) when condensed with benzoic acids/nicotinic acids (5a-o) in the presence of silica supported POCl3 yielded better to excellent yields of the title compounds. All the synthesized compounds (6a-o) and intermediate acid hydrazide (4) have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG. Amongst them, 6f, 6j, 6l and 6o have revealed promising activity against M. bovis BCG at concentrations less than 3 mu g/mL. These compounds have shown low cytotoxicity (CC50: \> 100 mu g/mL) towards four human cancer cell lines. Molecular docking study has also been performed against mycobacterial enoyl reductase (InhA) enzyme to gain an insight into the binding modes of these molecules and recorded good binding affinity. The ADME properties the title products have also been analyzed. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Molecular docking, Pyridine, Thiazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.05.093}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Bhosle, Manisha R. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {45828, title = {Synthesis and characterization of novel polymer-hybrid silver nanoparticles and its biomedical study}, journal = {Materials Today: Proceedings}, volume = {3}, year = {2016}, month = {JUN}, pages = {1949-1957}, type = {Article}, abstract = {

Hybrid polymer metal nanoparticles have advantages over conventional metal nanoparticles with respect to their stability, chemical resistance, antibacterial activity and drug delivery properties. In the current work, we have synthesized novel stimuli-responsive polymer hybrid silver nanoparticles using green synthesis method, where the plant extract is used as a reducing agent in the synthesis. Encapsulating metal nanoparticles with stimuli-responsive soft-polymeric system is novel and provides additional versatility whose functions and properties can be tailored by controlling any of the stimuli such as pH, temperature, ionic strength with respect to their antibacterial activity and physiological condition. Moreover, green synthesis methods have advantages over conventional methods involving chemical reducing agents that are often associated with environmental toxicity because of their enhanced antibacterial and other biological effects. The synthesized hybrid particles were characterized using Dynamic light scattering, UV-Visible spectroscopy and Small angle x-ray scattering. Further, we have investigated the antibacterial and cytotoxicity effect of these hybrid particles against different bacterial cells ( Salmonella) and mammalian cell lines (HCT116) respectively. These results are discussed in the light of previous studied work and these results suggest that our synthesized polymer hybrid nanoparticles are more antibacterial and less cytotoxic than the usual silver nanoparticles. (C) 2015Elsevier Ltd.All rights reserved.

}, keywords = {Antibacterial effect, Cytotoxicity, Polymeric hybrid particless, silver nanoparticles}, doi = {10.1016/j.matpr.2016.04.096}, author = {Verma, Suresh Kumar and Jha, Ealisha and Kiran, K. J. and Bhat, Suresh and Suar, Mrutyunjay and Mohanty, P. S.} } @article { ISI:000370693900022, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents (vol 6, pg 2209, 2015)}, journal = {Medchemcomm}, volume = {7}, number = {2}, year = {2016}, month = {DEC}, pages = {379}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2040-2503}, doi = {10.1039/c5md90062j}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000369679500020, title = {Synthesis and self-assembly of dumbbell shaped ZnO sub-micron structures using low temperature chemical bath deposition technique}, journal = {Materials Chemistry and Physics}, volume = {169}, year = {2016}, month = {FEB}, pages = {152-157}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report well dispersed horizontal growth of ZnO sub-micron structures using simplest technique ever known i.e. chemical bath deposition (CBD). A set of samples were prepared under two different cases A) dumbbell shaped ZnO grown in CBD bath and B) tubular ZnO structures evolved from dumbbell shaped structures by dissolution mechanism. Single phase wurtzite ZnO formation is confirmed using X-ray diffraction (XRD) technique in both cases. From the morphological investigations performed using scanning electron microscopy (SEM), sample prepared under case A indicate formation of hex bit tool (HBT) shaped ZnO crystals, which observed to self-organize to form dumbbell structures. Further these microstructures are then converted into tubular structures as a fragment of post CBD process. The possible mechanism responsible for the self-assembly of HBT units to form dumbbell structures is discussed. Observed free excitonic peak located at 370 nm in photoluminescence (PL) spectra recorded at 18 K indicate that the micro/nanostructures synthesized using CBD are of high optical quality. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Electron microscopy (STEM, Microstructure, Nanostructures, Optical properties, Photoluminescence spectroscopy, Raman spectroscopy and scattering, TEM and SEM)}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2015.11.042}, author = {Borade, P. and Joshi, K. U. and Gokarna, A. and Lerondel, G. and Walke, P. and Late, Dattatray J. and Jejurikar, S. M.} } @article { ISI:000371344600027, title = {Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR }, pages = {1776-1783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Indole, Molecular docking, Pyridine}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.02.043}, author = {Desai, N. C. and Somani, Hardik and Trivedi, Amit and Bhatt, Kandarp and Nawale, Laxman and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman} } @article { ISI:000373619000021, title = {Synthesis, microstructure, optical and field emission studies of iron vanadium oxide nanosheets}, journal = {Journal of Physics D-Applied Physics}, volume = {49}, number = {14}, year = {2016}, month = {APR}, pages = {145301}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We report a single step growth of thin graphene-like, densely packed FeV3O8 (FVO) nanosheets on silicon substrates via facile hydrothermal synthesis. These nanosheets have dimensions of a few microns with thin edges, offering very high aspect ratio. These FVO nanosheets exhibit excellent field emission behaviour with low turn on and threshold voltages of 1.3 V mu m(-1) and 1.7 V mu m(-1), respectively. The corresponding emitter delivers high emission current density of (similar to 1.650 mA cm(-2)) at fairly low applied field (similar to 4.00 V mu m(-1)).

}, keywords = {FeV3O8, field emission, nanosheets}, issn = {0022-3727}, doi = {10.1088/0022-3727/49/14/145301}, author = {Badadhe, Satish S. and Suryawanshi, Sachin R. and Naphade, Rounak A. and Chaudhary, Minakshi V. and More, Mahendra A. and Shelke, Manjusha V. and Ogale, Satishchandra B.} } @article {42431, title = {Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular rauhut{\textendash}currier type reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {APR}, pages = {5612-5616}, abstract = {

In an attempt to develop the umpolung of Michael acceptors using chalcones having an enoate moiety under N-heterocyclic carbene (NHC) catalysis, a K3PO4-mediated intramolecular Rauhut{\textendash}Currier type reaction was observed. This C(sp2){\textendash}C(sp2) coupling reaction afforded the biologically important 4H-chromenes in moderate to good yields. It is likely that the enol ether functionality acts as the nucleophilic trigger in this reaction.

}, doi = {10.1039/C6OB00654J}, author = {Bhunia, Anup and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {45830, title = {Synthesis of Au@Ni bimetallic core shell nanoparticle and nanochains in soyabean oil and their catalytic hydrogenation reactions}, journal = {ChemistrySelect}, volume = {1}, year = {2016}, month = {FEB}, pages = {140-146}, type = {Article}, abstract = {

Synthesis of Au@Ni bimetallic core shell nanostructures using commercially available soya bean oil as the solvent through a sequential reduction strategy is reported. The energy efficiency and economic viability comes from the much milder temperatures and replacement of expensive and environmentally hazardous solvents like long chain organic amines and acids previously reported for synthesis. Thus, core shell nanoparticles having size regime of 10-15 nm with an excellent control over the nickel shell thickness (2 nm) over the gold core (8-10 nm) and Au@Ni nanochains is achieved. The synthesized materials are demonstrated to synergistically catalyze hydrogenation of nitro and C-C multiple bonds with much better efficiency as compared to individual nanoparticle counterparts.

}, keywords = {Bimetallic nanoparticles, Gold catalysis, hydrogenation reactions, synergistic effects}, issn = {2365-6549}, doi = {10.1002/slct.201500006}, author = {Bharathan, Vysakh A. and Yadukiran, V. and Lazar, Anish and Singh, Anand. P. and Vinod, Chathakudath P.} } @article { 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 {43628, title = {Synthesis of Ni-doped ZnO nanostructures by low-temperature wet chemical method and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {104318-104324}, abstract = {In this study, we report an enhancement in the field emission (FE) properties of ZnO nanostructures obtained by doping with Ni at a base pressure of similar to 1 x 10(-8) mbar, which were grown by a simple wet chemical process. The ZnO nanostructures exhibited a single-crystalline wurtzite structure up to a Ni doping level of 10\%. FESEM showed a change in the morphology of the nanostructures from thick nanoneedles to nanoflakes via thin nanorods with an increase in the Ni doping level in ZnO. The turn-on field required to generate a field emission (FE) current density of 1 mu A cm(-2) was found to be 2.5, 2.3, 1.8 and 1.7 V mu mcm(-2) for ZnO (Ni0\%), ZnO (Ni5\%), ZnO (Ni7.5\%) and ZnO (Ni10\%), respectively. A maximum current density of similar to 872 mu A cm(-2) was achievable, which was generated at an applied field of 3.1 V mu m cm(-2) for a Ni doping level of 10\% in ZnO. Long-term operational current stability was recorded at a preset value of 5 mA for a duration of 3 h and was found to be very high. The experimental results indicate that Ni-doped ZnO-based field emitters can open up many opportunities for their potential use as an electron source in flat panel displays, transmission electron microscopy, and the generation of X-rays. Thus, the simple low-temperature (similar to 80 degrees C) wet chemical synthesis approach and the robust nature of the ZnO nanostructure field emitter can provide prospects for the future development of cost-effective electron sources.}, doi = {10.1039/c6ra21190a}, author = {Rana, Amit Kumar and Bankar, Prashant and Kumar, Yogendra and More, Mahendra A. and Late, Dattatray J. and Shirage, Parasharam M.} } @article { ISI: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 {42857, title = {Is there any real effect of low dimensional morphologies towards light harvesting? a case study of Au-rGO-TiO2 nanocomposites}, journal = {Chemistry Select }, volume = {1}, year = {2016}, month = {APR}, pages = {917{\textendash}923}, abstract = {

Nanotube and nanosheet morphologies have been celebrated for their electron transport properties. Present work has been explored to exploit the same by combining 1D TiO2 nanotube (1D-TN) with 2D reduced graphene oxide (rGO) along with nano gold for visible light sensitization for photocatalytic H2 generation under one sun condition and visible light (λ>= 400 nm). Vertical and horizontal electron transport in 1D-TN and rGO, respectively, is combined with the visible light absorption capability of Au nanoparticle. H2 yield (HY) varies between 100 and 655 {\textmu}mol/g.h with an apparent quantum yield between 0.45 and 3.2 \%, respectively, depending on Au/rGO/1D-TN preparation method and reaction conditions. It has been demonstrated that interfacial contact between rGO/1D-TN and Au is crucial for high photocatalytic HY. Preparation method influences charge utilization, and hence HY, to a large extent. Nonetheless, the maximum HY reported in the present work is just comparable to HY reported in literature with the most commonly found spherical morphology, and this leads to a question of, is there any real influence of 1D and/or 2D materials, particularly, towards light harvesting applications?

}, doi = {10.1002/slct.201600182}, author = {Melvin, Ambrose A. and Bharad, Pradnya A. and Illath, Kavya and Lawrence, Meenu P. and Gopinath, Chinnakonda S.} } @inbook {45878, title = {Three-phase slurry reactors}, booktitle = {Multiphase catalytic reactors: theory, design, manufacturing, and applications}, year = {2016}, pages = {132-155}, publisher = {Wiley Blackwell}, organization = {Wiley Blackwell}, abstract = {

Many of the chemical reactors employed in various sectors of the process andchemical industries, suchas petroleumrefining,downstream processing and petrochemicals, bulk and specialty chemicals, and pharmaceuticals, involve reactants and products in three phases. The ubiquitous presence of three-phase reactors comes from the fact that many of the reactants are liquids under reaction conditions, to be treated with a gas like hydrogen, and in the presence of a heterogeneous catalyst that is usually a solid. This requirement leads to two broad modes of contacting one in which the catalyst is held stationary in a "fixed" or a "packed bed" and one in which the catalyst is set free to move, along with the flowing fluid phases, during their sojourn through the reactor vessel.The choice ofwhether the catalyst should be fixed ormoving is usually dictated by the relative dominance of transport rates and intrinsic kinetics. If the reaction chemistry is intrinsically slow (when external and internalmass transfer of chemical species from the fluid phases to the porous catalyst is not rate limiting), packed bed reactor that allows very high catalyst loading is usually preferred. Packed beds, however, do not constitute the main topic of discussion in this monograph. Still, three-phase packed beds and slurry reactors are really parts of the same continuum of three-phase catalytic reactors andhave beendiscussedcomprehensively about three decades back in the classic book by P.A. Ramachandran and R.V. Chaudhari (Three Phase Catalytic Reactors. NewYork:Gordon and Breach Science Publishers; 1983). The same authors published earlier a review of three-phase slurry reactors (Chaudhari RV, Ramachandran PA. Three phase slurry reactors. AIChE J. 1980;26(2):177-199). This chapter builds on these authors{\textquoteright} works and attempts to update the reader on developments in the field over the past few decades while retaining the essential reactionandreactorengineering aspects.The focus isonthe design, scale-up, and operation of three-phase slurry reactor systems

}, isbn = {978-111811576-3 }, issn = {978-111924849-1}, doi = {10.1002/9781119248491.ch6}, author = {Buwa, V. V. and Roy, S. and Ranade, V. V.} } @article { ISI:000368207600013, title = {Total synthesis of isocladosporin and 3-epi-isocladosporin}, journal = {Tetrahedron Letters}, volume = {57}, number = {1}, year = {2016}, month = {JAN}, pages = {53-55}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convergent total synthesis of isocladosporin and 3-epi-isocladosporin is reported starting from commercially available homoallyl alcohol in 10 longest linear steps with 28\% overall yield. The key steps involved in the synthesis are cross-metathesis, tandem isomerization followed by C-O and C-C bond formation reactions for the synthesis of trans-2,6-disubstituted dihydropyrans developed by us, acylation reaction and Luche reaction. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Acylation reaction, Cross-metathesis, Iodocyclization, Isocladosporin 3-epi-Isodadosporin, Luche reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.11.060}, author = {Mohapatra, Debendra K. and Maity, Saurabh and Banoth, Shivalal and Gonnade, Rajesh G. and Yadav, J. S.} } @article { ISI:000369001500017, title = {Toughening of epoxy novolac resin using cardanol based flexibilizers}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {16}, year = {2016}, month = {APR}, pages = {43318}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this work, two different cardanol based epoxies (Cardolite NC-514 and Cardanol NC-547) were employed as flexibilizers to toughen an epoxy novolac resin namely, poly[(phenylglycidyl ether)-co-formaldehyde] (PPGEF). 4,4-Diamino-3,3-dimethyl dicyclohexyl methane (BMCHA) was used as a curing agent. Differential scanning calorimetry and dynamic mechanical thermal analysis of the composites showed a gradual decrease in glass transition temperatures (T-g) with increase in cardolite content confirming the incorporation of flexible moieties into the brittle resin matrix. Improvement in toughening of PPGEF/Cardolite composites was manifested by increase in the izod impact strength of both the composites. The tensile strength increased marginally for composites with increasing amount of Cardolite NC-514 but decreased for the composites containing Cardolite NC-547. This was attributed to the lack of rotational motion in the chain due to close proximity of rigid phenyl rings in NC-547. SEM of the cryo-fractured surfaces of composites showed good compatibility between PPGEF and cardanol based flexibilizers. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43318.

}, keywords = {composites, crosslinking, glass transition}, issn = {0021-8995}, doi = {10.1002/app.43318}, author = {Gour, Rajeshwari S. and Kodgire, Vivek V. and Badiger, Manohar V.} } @article { ISI:000379350100109, title = {Transfer hydrogenation of biomass-derived levulinic acid to gamma-valerolactone over supported Ni catalysts}, journal = {RSC Advances}, volume = {6}, number = {64}, year = {2016}, month = {JUN}, pages = {59753-59761}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A sustainable process of catalytic transfer hydrogenation (CTH) of levulinic acid (LA) to gamma-valerolactone (GVL) was investigated over Ni on various supports (Al2O3, ZnO, MMT and SiO2) in the presence of isopropanol (IPA) as the H-donor. Among these, the montmorillonite (MMT) supported Ni catalyst showed almost complete LA conversion (\>99\%) and selectivity (\>99\%) to GVL within 1 h. XRD and XPS results showed that the concentration of the metallic species significantly enhanced (two to four times) in the recovered sample as compared to the freshly prepared Ni/MMT. This was due to the in situ reduction of Ni2+ species present on the catalyst surface, through liberated H-2 under the reaction conditions. The strong acid strength of MMT, evidenced by NH3-TPD and py-IR, facilitated the esterification of LA as well as cyclization to GVL. The conversion-selectivity pattern was found to decrease in the IPA-water mixture while, it remained unchanged in the IPA-acetone mixture. Our catalyst could be efficiently recycled up to five times with consistent CTH activity and selectivity to GVL. The plausible mechanism of LA to GVL conversion involves the formation of a levulinate ester with IPA that favours its simultaneous hydrogenation and cyclization in a spontaneous manner to give GVL and regenerating IPA for sustainability.

}, issn = {2046-2069}, doi = {10.1039/c6ra08637c}, author = {Hengne, Amol M. and Kadu, Brijesh S. and Biradar, Narayan S. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article { ISI:000370421500054, title = {Transferability of different classical force fields for right and left handed alpha-helices constructed from enantiomeric amino acids}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {7}, year = {2016}, month = {FEB}, pages = {5550-5563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Amino acids can form D and L enantiomers, of which the L enantiomer is abundant in nature. The naturally occurring L enantiomer has a greater preference for a right handed helical conformation, and the D enantiomer for a left handed helical conformation. The other conformations, that is, left handed helical conformations of the L enantiomers and right handed helical conformations of the D enantiomers, are not common. The energetic differences between left and right handed alpha helical peptide chains constructed from enantiomeric amino acids are investigated using quantum chemical calculations (using the M06/6-311g(d,p) level of theory). Further, the performances of commonly used biomolecular force fields (OPLS/AA, CHARMM27/CMAP and AMBER) to represent the different helical conformations (left and right handed) constructed from enantiomeric (D and L) amino acids are evaluated. 5- and 10-mer chains from D and L enantiomers of alanine, leucine, lysine, and glutamic acid, in right and left handed helical conformations, are considered in the study. Thus, in total, 32 a-helical polypeptides (4 amino acids x 4 conformations of 5-mer and 10-mer) are studied. Conclusions, with regards to the performance of the force fields, are derived keeping the quantum optimized geometry as the benchmark, and on the basis of phi and psi angle calculations, hydrogen bond analysis, and different long range helical order parameters.

}, issn = {1463-9076}, doi = {10.1039/c5cp06715d}, author = {Biswas, Santu and Sarkar, Sujit and Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000375507300036, title = {Treatment of the pesticide industry effluent using hydrodynamic cavitation and its combination with process intensifying additives (H2O2 and ozone)}, journal = {Chemical Engineering Journal}, volume = {295}, year = {2016}, month = {JUL}, pages = {326-335}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Hydrodynamic cavitation (HC) and its combination with H2O2 and ozone have been applied in the present work for the treatment of industrial pesticide effluent. Initially, the effect of dilution of the effluent on the efficacy of hydrodynamic cavitation has been studied using circular venturi as a cavitator. Although an increase in the extent of dilution has not shown any beneficial effect on the actual moles of pollutant degraded, hybrid processes have been studied using 1:5 dilution due to very high TDS content of the effluent. Treatment of the industrial pesticide effluent using HC + ozone (3 gbh) process has demonstrated that the biodegradability index (BI) of the effluent increases from 0.123 to 0.324 after 2 h of operation. The rate of COD and TOC reduction has also increased by many folds by using HC in combination with ozone. In addition this, the treatment of industrial pesticide effluent using HC + H2O2 has also indicated that the rate of COD and TOC reduction increases significantly by using HC in combination with various loadings of H2O2. The study of interference of added H2O2 on the COD analysis has exhibited that the COD equivalence is 0.441 mg/L for 1 mg/L of H2O2. The energy efficiency and operating cost of various hybrid processes have been compared based on the cavitational yield and the cost of electricity. The combined process of HC and H2O2 has observed to be the most cost-effective one due to its higher cavitational yield and lower power consumption. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Biodegradability index, Hydrodynamic cavitation, Hydrogen peroxide, Industrial pesticide effluent, Ozone, Venturi}, issn = {1385-8947}, doi = {10.1016/j.cej.2016.03.019}, author = {Raut-Jadhav, Sunita and Badve, Mandar P. and Pinjari, Dipak V. and Saini, Daulat R. and Sonawane, Shirish H. and Pandit, Aniruddha B.} } @article {45640, title = {Understanding endothelial dysfunction in diabetic cardiovascular complications using mass spectrometry-based proteomics}, journal = {Heart}, volume = {102}, year = {2016}, month = {OCT}, pages = {A16-A17}, type = {Article}, issn = {1355-6037}, doi = {10.1136/heartjnl-2016-310696.51}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kazi, Rubina and Kulkarni, Mahesh J.} } @article { ISI:000382107200047, title = {Understanding positive and negative deviations in polarity of ionic liquid mixtures by pseudo-solvent approach}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {34}, year = {2016}, month = {SEP}, pages = {23853-23863}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Physico-chemical properties of liquid mixtures in general display large deviations from linear behaviour, arising out of complex specific and non-specific intermolecular interactions. The polarity of liquid mixtures displaying large positive and negative deviations can be minimized and linear mixing can be achieved in liquids using a pseudo-solvent methodology. The work described herein is designed to investigate the influence of different physical parameters on the linear pseudo-solvent composition in ionic liquid mixtures. For this purpose, we have determined the deviations from linearity, Delta E-T(N) values (defined as Delta E-T(N) = E-Texp.(N) - E-Tlin mix.(N) with E-Tlin mix.(N) given by Sigma(n)(i=0) E-Ti(N0) x(i)) for binary mixtures of a variety of ionic liquids, including two molecular solvents, DMSO and formamide. Firstly, the investigations were carried out in three 1-butyl-3-methylimidazolium cation based aprotic ionic liquids and the roles of anionic structure and hydrogen bond acceptor basicities (beta values) of the ionic liquids were determined. The influence of the cationic structure, i.e., the hydrogen bond donor acidity (alpha values) and non-associative nature of the ionic liquids, was determined using C2-methylated analogs, 1-butyl-2,3-dimethylimidazolium cation based ionic liquids. The role of the protic nature of ionic liquids was studied in two protic ionic liquids, viz., 1-methylimidazolium formate and 1-methylimidazolium acetate. The effects of the temperature, pseudo-solvent structure and solvatochromic probe structure on the Delta E-T(N) values were also explored.

}, issn = {1463-9076}, doi = {10.1039/c6cp04440a}, author = {Beniwal, Vijay and Kumar, Anil} } @article {43447, title = {Understanding the role of Keggin type heteropolyacid catalysts for glycerol acetylation using toluene as an entrainer}, journal = {Applied Catalysis A-General}, volume = {527}, year = {2016}, month = {OCT}, pages = {9-18}, abstract = {The heterogeneously catalyzed esterification (acetylation) of glycerol toward triacetin in batch mode in presence of toluene as entrainer was studied. Silicotungstic acid, tungstophosphoric acid and phosphomolybdic acid as heteropolyacids (HPAs) supported on silica, alumina or silica-alumina were used as catalysts. The course of the reaction was found to be very sensitive to the nature of the HPA as well as the support. Solid characterization by Raman spectroscopy, XRD, and pyridine-FTIR revealed that only combinations of tungsten-based HPAs and silica support were able to preserve the structure of active component throughout the preparation process, which was essential to obtain active and selective catalysts. The interaction between HPA and support was decisive for stability and dispersion of the catalytically active species. With the best performing catalyst H4SiW12O40/SiO2, selectivity to triacetin reached 71\% at complete conversion within 24h. The high selectivity to triacetin is attributed the Brensted acidic sites originated from stabilized Keggin structure and continuous removal of water during course of reaction. Toluene is able to form azeotropic mixtures with water and acetic acid and keeps the reaction temperature below the boiling point of acetic acid. Thus, water-free reaction conditions can be established. The catalyst was reusable; however, the activity and selectivity towards triacetin slightly decreased in a repetition run due to loss of active sites. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apcata.2016.08.016}, author = {Kale, S. S. and Armbruster, U. and Eckelt, R. and Bentrup, U. and Umbarkar, Shubhangi B.} } @article {45651, title = {Urinary proteome alterations in HER2 enriched breast cancer revealed by multipronged quantitative proteomics}, journal = {Proteomics}, volume = {16}, year = {2016}, month = {SEP}, pages = {2403-2418}, type = {Article}, abstract = {

Globally, breast cancer is the second most common cancer among women. Although biomarker discoveries through various proteomic approaches of tissue and serum samples have been studied in breast cancer, urinary proteome alterations in breast cancer are least studied. Urine being a noninvasive biofluid and a significant source of proteins, it has the potential in early diagnosis of breast cancer. This study used complementary quantitative gel-based and gel-free proteomic approaches to find a panel of urinary protein markers that could discriminate HER2 enriched (HE) subtype breast cancer from the healthy controls. A total of 183 differentially expressed proteins were identified using three complementary approaches, namely 2D-DIGE, iTRAQ, and sequential window acquisition of all theoretical mass spectra. The differentially expressed proteins were subjected to various bioinformatics analyses for deciphering the biological context of these proteins using protein analysis through evolutionary relationships, database for annotation, visualization and integrated discovery, and STRING. Multivariate statistical analysis was undertaken to identify the set of most significant proteins, which could discriminate HE breast cancer from healthy controls. Immunoblotting and MRM-based validation in a separate cohort testified a panel of 21 proteins such as zinc-alpha2-glycoprotein, A2GL, retinol-binding protein 4, annexin A1, SAP3, SRC8, gelsolin, kininogen 1, CO9, clusterin, ceruloplasmin, and alpha 1-antitrypsin could be a panel of candidate markers that could discriminate HE breast cancer from healthy controls.

}, keywords = {2D-DIGE, Biomedicine, Breast cancer, HER2 enriched, SWATH, Urinary biomarkers}, issn = {1615-9853}, doi = {10.1002/pmic.201600015}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Vannuruswamy, Garikapati and RoyChoudhury, Sourav and Adhav, Ragini and Seal, Shubhendu and Mane, Anupama and Bayatigeri, Santhakumari and Santra, Manas K. and Chaudhury, Koel and Rapole, Srikanth} } @article {45831, title = {Valorization of coffee bean waste: a coffee bean waste derived multifunctional catalyst for photocatalytic hydrogen production and electrocatalytic oxygen reduction reactions}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {82103-82111}, type = {Article}, abstract = {

Here, we report the valorization of coffee bean waste (CBW) by producing nitrogen doped porous carbon (p-Cof) having both photocatalytic and electrocatalytic properties using a silica templating method. Morphological investigation of p-Cof reveals the presence of assemblies of highly porous flat carbon blocks. p-Cof exhibits a high surface area (1213 m(2) g(-1)) and a wide range of micro-and mesopores with good electrical conductivity. Along with this, the surface of p-Cof displays the presence of graphitic and pyridone-type nitrogen coordinations, which help p-Cof to perform as a multifunctional catalyst as revealed from its catalytic activities towards photocatalytic hydrogen production (PHP) and electrocatalytic oxygen reduction reactions. p-Cof produces 334 mu mol h(-1) g(-1) of hydrogen from water under visible light and 575 mmol h(-1) g(-1) of hydrogen under solar light irradiation with excellent stability. Along with this, p-Cof also displays improved oxygen reduction reaction (ORR) activity in alkaline medium. A better onset potential (0.91 V vs. RHE) and half-wave potential (0.75 V vs. RHE) are displayed by p-Cof compared to the catalyst derived from the simple annealing of CBW without employing the silica template. Along with the better electrochemical activity, p-Cof shows excellent ORR kinetics and electrochemical stability compared to the current state-of-the-art Pt/C.

}, issn = {2046-2069}, doi = {10.1039/c6ra14907c}, author = {Unni, SreeKuttan M. and George, Leena and Bhange, Siddheshwar N. and Devi, R. Nandini and Kurungot, Sreekumar} } @article { ISI:000371419200030, title = {Versatile Cu-II metal-organic framework exhibiting high gas storage capacity with selectivity for CO2: conversion of CO2 to cyclic carbonate and other catalytic abilities}, journal = {Chemistry-A European Journal}, volume = {22}, number = {10}, year = {2016}, month = {MAR}, pages = {3387-3396}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A linear tetracarboxylic acid ligand, H4L, with a pendent amine moiety solvothermally forms two isostructural metal-organic frameworks (MOFs) L-M (M=Zn-II, Cu-II). Framework L-Cu can also be obtained from L-Zn by post- synthetic metathesis without losing crystallinity. Compared with L-Zn, the L-Cu framework exhibits high thermal stability and allows removal of guest solvent and metal-bound water molecules to afford the highly porous, L-Cu. At 77K, L-Cu absorbs 2.57wt\% of H-2 at 1bar, which increases significantly to 4.67wt\% at 36bar. The framework absorbs substantially high amounts of methane (238.38cm(3)g(-1), 17.03wt\%) at 303K and 60bar. The CH4 absorption at 303K gives a total volumetric capacity of 166cm(3)(STP)cm(-3) at 35bar (223.25cm(3)g(-1), 15.95wt\%). Interestingly, the NH2 groups in the linker, which decorate the channel surface, allow a remarkable 39.0wt\% of CO2 to be absorbed at 1bar and 273K, which comes within the dominion of the most famous MOFs for CO2 absorption. Also, L-Cu shows pronounced selectivity for CO2 absorption over CH4, N-2, and H-2 at 273K. The absorbed CO2 can be converted to value-added cyclic carbonates under relatively mild reaction conditions (20bar, 120 degrees C). Finally, L-Cu is found to be an excellent heterogeneous catalyst in regioselective 1,3-dipolar cycloaddition reactions (click reactions) and provides an efficient, economic route for the one-pot synthesis of structurally divergent propargylamines through three-component coupling of alkynes, amines, and aldehydes.

}, keywords = {click reactions, CO2 absorption, cyclic carbonate, heterogeneous catalysis, metal-organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201504747}, author = {De, Dinesh and Pal, Tapan K. and Neogi, Subhadip and Senthilkumar, S. and Das, Debasree and Sen Gupta, Sayam and Bharadwaj, Parimal K.} } @article {42825, title = {[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {196-199}, type = {Article}, abstract = {

A Pt-catalyzed, highly regioselective reaction between N-allenamides and imino-alkynes leading to pyrrolo[1,2-a] indoles is described. This represents the first example of [3+2]-annulation of Pt-bound azomethine ylides with the distal CQC bond of N-allenamides. The mechanism of the reaction was established by computational studies.

}, doi = {10.1039/c6cc07874e}, author = {Chakrabarty, Indradweep and Inamdar, Suleman M. and Akram, Manjur O. and Gade, Amol B. and Banerjee, Subhrashis and Bera, Saibal and Patil, Nitin T.} } @article {43932, title = {Abundance matters: role of albumin in diabetes, a proteomics perspective}, journal = {Expert Review of Proteomics}, volume = {14}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Introduction: Human serum albumin (HSA) is a multifaceted protein with vital physiological functions. It is the most abundant plasma protein with inherent capability to bind to diverse ligands, and thus susceptible to various post-translational modifications (PTMs) which alter its structure and functions. One such PTM is glycation, a non-enzymatic reaction between reducing sugar and protein leading to formation of heterogeneous advanced glycation end products (AGEs). Glycated albumin (GA) concentration increases significantly in diabetes and is implicated in development of secondary complications. Areas covered: In this review, we discuss in depth formation of GA and its consequences, approaches used for characterization and quantification of GA, milestones in GA proteomics, clinical relevance of GA as a biomarker, significance of maintaining abundant levels of albumin and future perspectives. Expert commentary: Elevated GA levels are associated with development of insulin resistance as well as secondary complications, in healthy and diabetic individuals respectively. Mass spectrometry (MS) based approaches aid in precise characterization and quantification of GA including early and advanced glycated peptides, which can be useful in prediction of the disease status. Thus GA has evolved to be one of the best candidates in the pursuit of diagnostic markers for prediction of prediabetes and diabetic complications.}, doi = {10.1080/14789450.2017.1352473}, author = {Bhat, Shweta and Jagadeeshaprasad, Mashanipalya G. and Venkatasubramani, Vinashya and Kulkarni, Mahesh J.} } @article {43716, title = { Acemetacin cocrystal structures by powder X-ray diffraction}, journal = {Iucrj}, volume = {4}, year = {2017}, month = {MAY}, pages = {206-214}, type = {Article}, abstract = {Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM), p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD) provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM-NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form. The carboxylic acid group of ACM forms theacid-amide dimer three-point synthon R-3(2)(9) R-2(2)(8) R-3(2)(9) with three different syn amides (VLM, 2HP and caprolactam). The conformations of the ACM molecule observed in the crystal structures differ mainly in the mutual orientation of chlorobenzene fragment and the neighboring methyl group, being anti (type I) or syn (type II). ACM hydrate, ACM-NAM, ACM-NAM-hydrate and the piperazine salt of ACM exhibit the type I conformation, whereas ACM polymorphs and other cocrystals adopt the ACM type II conformation. Hydrogen-bond interactions in all the crystal structures were quantified by calculating their molecular electrostatic potential (MEP) surfaces. Hirshfeld surface analysis of the cocrystal surfaces shows that about 50\% of the contribution is due to a combination of strong and weak O center dot center dot center dot H, N center dot center dot center dot H, Cl center dot center dot center dot H and C center dot center dot center dot H interactions. The physicochemical properties of these cocrystals are under study.}, doi = {10.1107/S2052252517002305}, author = {Bolla, Geetha and Chernyshev, Vladimir and Nangia, Ashwini} } @article {43999, title = {Acyclic αγα-tripeptides with fluorinated- and nonfluorinated-furanoid sugar framework: importance of fluoro substituent in reverse-turn induced self-assembly and transmembrane ion-transport activity}, journal = {Journal Of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, chapter = {5826-5834}, abstract = {

Acyclic αγα-tripeptides derived from fluorinated-furanoid sugar amino acid frameworks act as reverse-turn inducers with a U-shaped conformation, whereas the corresponding nonfluorinated αγα-tripeptides show random peptide conformations. The NMR studies showed the presence of bifurcated weak intramolecular hydrogen bonding (F{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN) and N+{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}Fδ- charge-dipole attraction compel the amide carbonyl groups to orient antiperiplanar to the C-F bond, thus, demonstrating the role of the fluorine substituent in stabilizing the U-shaped conformation. The NOESY data indicate that the U-shaped tripeptides self-assembly formation is stabilized by the intermolecular hydrogen bonding between C=O{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN with antiparallel orientation. This fact is supported by ESI-MS data, which showed mass peaks up to the pentameric self-assembly, even in the gas phase. The morphological analysis by FE-SEM, on solid samples, showed arrangement of fibers into nanorods. The antiparallel self-assembled pore of the fluorinated tripeptides illustrates the selective ion-transport activity. The experimental findings were supported by DFT studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00661}, author = {Burade, S. S. and Shinde, S. V. and Bhuma, N. and Kumbhar, N. and Kotmale, A. and Rajamohanan, P. R. and Gonnade, R. G. and Talukdar, P. and Dhavale, D. D.} } @article {43830, title = {AgOTf-catalyzed dehydrative [3+2] annulation of aziridines with 2-naphthols}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {8219-8222}, abstract = {The reaction of 2-naphthols with aziridines in the presence of AgOTf resulting in a dehydrative, formal [3+2] annulation is reported. The reaction allows the synthesis of functionalized benzoindolines, and tolerates a broad range of functional groups. A preliminary study on themechanism of this reaction indicates an SN1-type ring-opening of aziridines. This method is demonstrated for the one-pot synthesis of benzoindoles.}, doi = {10.1039/c7cc03425c}, author = {Kaicharla, Trinadh and Jacob, Anu and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43534, title = {Agro-industrial wastes for production of biosurfactant by bacillus subtilis ANR 88 and its application in synthesis of silver and gold nanoparticles}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {MAR}, pages = {Article Number: 492}, type = {MAR}, abstract = {

Biosurfactants, surface-active amphiphilic compounds, despite having a wide range of applications, have a high cost of production, which severely restricts their use. For cheaper production of biosurfactant, we investigated the potential of the indigenously isolated biosurfactant producing organism, Bacillus subtilis ANR 88, to grow on different cheap carbon sources (molasses, whey, and extracts of potato peels, orange peels, banana peels, and bagasse). We found that, B. subtilis ANR 88 used significant amounts of total sugar to produce cell biomass and biosurfactant. The biosurfactant production in minimal medium containing glucose as sole source of carbon was 0.207 g/l and the same with molasses as carbon source was 0.241 g/l. With whey as carbon source, isolate failed to produce biosurfactant. Amongst the extracts of the agro-wastes, the extracts of bagasse and orange peels gave 0.127 and 0.089 g/l of biosurfactant respectively. One-variable-at-a-time (OVAT) studies carried out to optimize the production of biosurfactant by B. subtilis ANR 88 resulted into maximum biosurfactant yield of 0.513 g/l in medium: molasses 4\%, ammonium ferric citrate 0.25\%, pH 7. Plackett-Burman design based statistical method for optimization increased the production of biosurfactant to 0.746 g/l, which is 3.6-fold of that produced on glucose. The biosurfactant produced by B. subtilis ANR 88 was analyzed by Fourier Transform Infrared Spectroscopy (FT-IR); it showed that the biosurfactant contained alkyl as well as peptide groups. The biosurfactant of B. subtilis ANR 88 was found effective in the synthesis of silver as well as gold nanoparticles in the total absence of conventional chemical reducing agents. Interestingly, nanoparticles produced were almost uniform in their size and shapes i.e., spherical silver (4-18 nm) and hexagonal gold nanoparticles (40-60 nm), as evident in TEM images.

}, doi = {10.3389/fmicb.2017.00492}, author = {Rane, Ashwini N. and Baikar, Vishakha V. and Kumar, D. V. Ravi and Deopurkar, Rajendra L.} } @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 {44018, title = {Ammonia-modified graphene sheets decorated with magnetic Fe3O4 nanoparticles for the photocatalytic and photo-Fenton degradation of phenolic compounds under sunlight irradiation}, journal = {Journal of hazardous materials }, volume = {325}, year = {2017}, month = {NOV}, type = {Article}, abstract = {Synthesis of easily separable and eco-friendly efficient catalyst with both photocatalytic and photo-Fenton degradation properties is of great importance for environment remediation application. Herein, ammonia-modified graphene (AG) sheets decorated with Fe3O4 nanoparticles (AG/Fe3O4) as a magnetically recoverable photocatalyst by a simple in situ solution chemistry approach. First, we have functionalized graphene oxide (GO) sheets by amide functional group and then Fe3O4 nanoparticles (NPs) are doped onto the functionalized GO surface. The AG/Fe3O4 nanocomposite showed efficient photocatalytic activity towards degradation of phenol (92.43\%), 2-nitrophenol (2-NP) (98\%) and 2-chlorophenol (2-CP) (97.15\%) within 70{\textendash}120 min. Consequently, in case of photo-Fenton degradation phenomenon, 93.56\% phenol, 98.76\% 2-NP and 98.06\% of 2-CP degradation were achieved within 50{\textendash}80 min using AG/Fe3O4 nanocomposite under sunlight irradiation. The synergistic effect between amide functionalized graphene and Fe3O4 nanoparticles (NPs) enhances the photocatalytic activity by preventing the recombination rate of electron-hole-pair in Fe3O4 NPs. Furthermore, the remarkable reusability of the AG/Fe3O4 nanocomposite was observed up to ten cycles during the photocatalytic degradation of these phenolic compounds.}, doi = {10.1016/j.jhazmat.2016.11.023}, author = {Boruah, Purna K. and Sharma, Bhagyasmeeta and Karbhal, Indrapal and Shelke, Manjusha V. and Das, Manash R.} } @article {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 {43905, title = {Base-free and catalyst-free synthesis of functionalized dihydrobenzoxazoles via vinylogous carbonate to carbamate rearrangement}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {OCT}, type = {Article}, abstract = {An unexpected, catalyst-free, and base-free intramolecular cyclization of N-aryloxyacrylate aldimines, under thermal conditions leading to the synthesis of functionalized dihydrobenzoxazoles, is reported. The reaction features a unique rearrangement of vinylogous carbonates to vinylogous carbamates resulting in a new carbon{\textendash}oxygen and carbon{\textendash}nitrogen bond construction. The reaction tolerates a broad range of functional groups and the desired products are formed in moderate to good yields.}, doi = {10.1021/acs.orglett.7b02733}, author = {Das, Tamal Kanti and Mondal, Santigopal and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {44136, title = {Biology and development of xanthopimpla pedator (hymenoptera: ichneumonidae): pupal endoparasitoid of antheraea mylitta (Lepidoptera: Saturniidae)}, journal = {Annals of the Entomological Society of America}, volume = {110}, year = {2017}, month = {NOV}, pages = {544-550}, type = {Article}, abstract = {The Antheraea mylitta (Drury) (Lepidoptera: Saturniidae) is a commercially important species for the production of tasar silk. However, the Xanthopimpla pedator (F.) (Hymenoptera: Ichneumonidae) is a major pupal endoparasitoid of A. mylitta, which affects the total tasar silk production in India. A gravid female X. pedator parasitizes the pupae of A. mylitta by depositing an egg, which produces a single offspring per host. We studied the development of immature forms of X. pedator by dissecting parasitized pupae of A. mylitta under laboratory conditions at 28-30 degrees C and 40-60\% relative humidity. All immature stages of the parasitoid develop within the host in 20-22 d, by devouring the entire pupal content, resulting in dead or seedless cocoons. The total life cycle of X. pedator is completed inside the host pupa and the adult emerges out by rupturing the peduncle end of the cocoon. During development of X. pedator, five preimaginal stages, viz., egg, larval instars, prepupa, pupa, and a pharate adult, were observed. Xanthopimpla pedator passes through five larval instars identified by structural and morphometric variations. These include primary larva (L1), the intermediate larvae (L2-L4), and the finalinstar larva (L5). Biometric study and larval head width permitted the morphological separation of all five larval instars. In the present study, the biology and development of X. pedator inside the pupa of A. mylitta are reported for the first time with detailed photomicrographs. Therefore, the study may enable the information concerning physiological interactions between A. mylitta and its endoparasitoid, X. pedator.}, doi = {10.1093/aesa/sax049}, author = {Gathalkar, Ganesh B. and Barsagade, Deepak D. and Sen, Avalokiteswar} } @article {43851, title = {Biomimetic total synthesis of angiopterlactone B and other potential natural products}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {JUL}, pages = {3564-3567}, type = {Article}, abstract = {A one-pot biomimetic synthesis of (-)-angiopterlactone B and its enantiomer (+)-angiopterlactone B has been accomplished via TBAF-catalyzed tandem ring contraction followed by oxa-Michael/Michael addition sequence. Comparison of specific optical rotations, absolute configurations, and CD spectra of natural, synthesized (-)-angiopterlactone B and (+)-angiopterlactone B unequivocally proves that the isolated angiopterlactone B must be levorotatory. Synthesis of hitherto undiscovered natural products 18 and 20 and analogues of angiopterlactone B demonstrate the versatility of this method.}, doi = {10.1021/acs.orglett.7b01525}, author = {Kotammagari, Tharun K. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {43978, title = {Biosurfactant surfactin as a kinetic promoter for methane hydrate formation}, journal = {Energy Procedia}, volume = {105}, year = {2017}, month = {MAY}, pages = {5011-5017}, type = {Article}, abstract = {In the present study, the effect of the biosurfactant Surfactin on methane hydrate formation kinetics was studied. Initially, several marine derived species were screened for the presence of Surfactin. The polymerase chain reaction technique was used as the preliminary screening step for Surfactin which was then followed up by a couple of different assays to provide conclusive evidence of the same. Based on these tests, the D-9 bacterial strain was identified as a producer of Surfactin. Once the presence of Surfactin had been proven, its effect on methane hydrate formation kinetics was investigated upon by carrying out hydrate formation experiments in a stirred tank reactor. The cell free supernatant containing Surfactin was itself used as the hydrate forming solution without any further processing. It was found that the presence of Surfactin in the system greatly enhances hydrate formation kinetics as compared to pure water. In fact the kinetics in presence of Surfactin also surpassed that obtained with 1 wt\% SDS, the most commonly used synthetic kinetic hydrate promoter. This basic study can pave the way for more sophisticated research on the use of biosurfactants as kinetic promoters with a view on rapid methane hydrate formation kinetics for applications such as methane separation, storage and transport.}, doi = {10.1016/j.egypro.2017.03.1050}, author = {Bhattacharjee, Gaurav and Barmecha, Vivek and Pradhan, Darshan and Naik, Rajesh and Zare, Kirti and Mawlankar, Rahul R. and Dastager, Syed Gulam and Kushwaha, Omkar Singh and Kumar, Rajnish} } @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 {43852, title = {Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {7072-7075}, type = {Article}, abstract = {Light harvesting donor-acceptor assemblies are indispensable to efficiently tap photons. In an attempt to improve the light harvesting efficiency of an acceptor doped assembly, we design and synthesize a donor-acceptor-donor triad which exhibits an exceptional intramolecular energy transfer with excellent efficiency. Moreover, a facile cascade energy transfer (energy funnelling) is observed in the presence of a series of second acceptors (63-91\% efficiency) with tunable emission colours. Self-assembled nanosheets formed by the triad in the presence of acceptors exhibit cascade energy transfer assisted tunable emission. In addition, use of chiral acceptors induces chirality to the triad and results in the formation of chiral nanosheets alongwith cascade energy transfer. Here chiral induction, nanosheet formation and cascade energy transfer in the presence of chiral acceptors are used as tools to probe the intercalation of acceptor molecules in the donor scaffold.}, doi = {10.1039/c7cc02994b}, author = {Goudappagouda and Wakchaure, Vivek Chandrakant and Ranjeesh, Kayaramkodath Chandran and Abhai, Chalona Antony Ralph and Babu, Sukumaran Santhosh} } @article {42850, title = {Catalytic branching cascades in diversity oriented synthesis}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {OCT}, pages = { 30-40}, type = {Article}, abstract = {

Diversity oriented synthesis (DOS) aims to generate small molecules with great structural diversity in an efficient manner. Recent years have witnessed significant achievements in the field, which help to validate the usefulness of DOS as a tool for the discovery of novel, biologically interesting small molecules. Catalytic branching cascades have emerged as a promising strategy because of their potential to transform a common type of substrate into diverse and distinct molecular frameworks. The details of the concept are presented herein.

}, doi = {10.1002/cctc.201600766}, author = {Bansode, Avinash H. and Chimala, Prathyusha and Patil, Nitin T.} } @article {44148, title = {Cerium-based metal-organic framework having inherent oxidase-like activity applicable for colorimetric sensing of biothiols and aerobic oxidation of thiols}, journal = {Crystengcomm}, volume = {19}, year = {2017}, month = {OCT}, pages = {5915-5925}, type = {Article}, abstract = {A cerium-basedmetal-organic framework (MOF; 1) with a UiO-66 (UiO: University of Oslo) framework topology was synthesized solvothermally by employing 3,4-dimethylthieno[2,3-b] thiophene-2,5-dicarboxylic acid as a ligand. The MOF was thoroughly characterized by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction, infrared spectroscopy, and thermogravimetric and N-2 sorption analyses. The activated material (1{\textquoteright}) retained its structural integrity in water, acetic acid and 1 M HCl solution. XPS investigation reveals the presence of both Ce(III) and Ce(IV) ions in 1. Owing to the presence of mixed-valence cerium ions, 1{\textquoteright} was able to oxidize the chromogenic peroxidase substrate 3,3{\textquoteright}, 5,5{\textquoteright}-tetramethylbenzidine (TMB) or 2,2{\textquoteright}azinobis.3- ethylbenzothizoline-6-sulfonic acid) (AzBTS) in the absence of an external oxidizing agent. Thus, it showed inherent oxidase-like catalytic properties. Inspired by the excellent oxidase-mimicking activity of 1{\textquoteright}, a protocol was developed for the rapid colorimetric sensing of biothiols in NaAc buffer (0.2 M, pH = 4). The sensing ability of 1{\textquoteright} towards cysteine was also demonstrated in human blood plasma. Furthermore, the redox-active cerium ions enabled 1{\textquoteright} to exhibit excellent heterogeneous catalytic performance in aerobic oxidation catalysis of thiol compounds. The material is reusable (both as a sensor and as a catalyst), lowcost and highly stable, which renders it a promising candidate for the monitoring of biothiols in immunoassays and medical diagnosis as well as for industrial oxidation catalysis.}, doi = {10.1039/c7ce01053b}, author = {Dalapati, Rana and Sakthivel, Balasubramanian and Ghosalya, Manoj K. and Dhakshinamoorthy, Amarajothi and Biswas, Shyam} } @proceedings {44010, title = {CH3NH3PbI3 based solar cell: modified by antisolvent treatment}, volume = {1832}, year = {2017}, month = {MAY}, publisher = {American Institute of Physics Inc.}, chapter = {080065}, address = {KIIT University Bhubaneswar, Odisha; India.}, abstract = {

Solar cells based on new class of organic inorganic hybrid perovskite CH3NH3PbI3 were prepared by Ethyl acetate (EA); antisolvent treatment for the first time. This treatment results in new morphology for CH3NH3PbI3 thin film. FESEM image shows microrod type structures of CH3NH3PbI3 after EA antisolvent treatment. Energy band diagram was constructed using photoluminescence and photoemission studies. A better power conversion efficiency was achieved in EA treated film compare to without EA treated film.

}, keywords = {CH3NH3PbI3, Perovskite solar cell}, issn = {0094-243X}, doi = {10.1063/1.4980525}, author = {Nandi, P. and Giri, C. and Bansode, U. and Topwal, D.} } @article {43502, title = {Cisplatin-induced self-assembly of graphene oxide sheets into spherical nanoparticles for damaging sub-cellular DNA}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {1409-1412}, abstract = {This report describes the hitherto unobserved cisplatin induced self-assembly of 2D-graphene oxide sheets into 3D-spherical nano-scale particles. These nanoparticles can encompass dual DNA damaging drugs simultaneously. A combination of confocal microscopy, gel electrophoresis and flow cytometry studies clearly demonstrated that these novel nanoparticles can internalize into cancer cells by endocytosis, localize into lysosomes, and damage DNA, leading to apoptosis. Cell viability assays indicated that these nanoparticles were more cytotoxic towards cancer cells compared to healthy cells.}, doi = {10.1039/c6cc09006k}, author = {Nandi, Aditi and Mallick, Abhik and More, Piyush and Sengupta, Poulomi and Ballav, Nirmalya and Basu, Sudipta} } @article {43781, title = {Click-chemistry-based multicomponent condensation approach for design and synthesis of spirochromene-tethered 1,2,3-triazoles as potential antitubercular agents}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {OCT}, pages = {5675-5690}, type = {Article}, doi = {10.1007/s11164-017-2955-y}, author = {Chavan, Pramod V. and Pandit, Kapil S. and Desai, Uday V. and Wadgaonkar, Prakash P. and Nawale, Laxman and Bhansali, Sujit and Sarkar, Dhiman} } @article {44400, title = {Colloidal nanocomposite of TiN and N-doped few-layer graphene for plasmonics and electrocatalysis}, journal = {ACS Energy Letters}, volume = {2}, year = {2017}, month = {OCT}, pages = {2251-2256}, abstract = {

A combination of high carrier density, high surface area, solution processability, and low cost is desired in a material for electrocatalytic applications, including H-2 evolution and a counter electrode of a solar cell. Also, plasmonic-based applications in biological systems can be derived from such material. In this regard, a colloidal nanocomposite of TiN and N-doped few-layer graphene (TiN NFG) is synthesized from molecular precursors. TiN nano crystals (NCs) provide free electrons for electrical conductivity and plasmonics, whereas NFG is responsible for charge transport, high surface area, and colloidal stability. Colloidal TiN NFG nano composites exhibit a localized surface plasmon resonance band at around 700 nm. Coatings of the nanocomposite form a counter electrode for efficient (8.9\%) dye-sensitized solar cells. Furthermore, the nanocomposite acts as an efficient electrocatalyst for hydrogen evolution reaction, exhibiting an overpotential similar to 161 mV at a current density of 10 mA/cm(2).

}, doi = {10.1021/acsenergylett.7b00741}, author = {Shanker, G. Shiva and Markad, Ganesh B. and Jagadeeswararao, Metikoti and Bansode, Umesh and Nag, Angshuman} } @article {45661, title = {Constructing ultraporous covalent organic fameworks in seconds via an organic terracotta process}, journal = {Journal of the American Chemical Society }, volume = {139}, year = {2017}, month = {FEB}, pages = {1856-1862}, type = {Article}, abstract = {

Research on covalent organic frameworks (COFs) has recently gathered significant momentum by the virtue of their predictive design, controllable porosity, and long-range ordering. However, the lack of solvent-free and easy-to-perform synthesis processes appears to be the bottleneck toward their greener fabrication, thereby limiting their possible potential applications. To alleviate such shortcomings, we demonstrate a simple route toward the rapid synthesis of highly crystalline and ultraporous COFs in seconds using a novel salt-mediated crystallization approach. A high degree of synthetic control in interlayer stacking and layer planarity renders an ordered network with a surface area as high as 3000 m(2) g-(1). Further, this approach has been extrapolated for the continuous synthesis of COFs by means of a twin screw extruder and in situ processes of COFs into different shapes mimicking the ancient terracotta process. Finally, the regular COF beads are shown to outperform the leading zeolites in water sorption performance, with notably facile regeneration ability and structural integrity.

}, issn = {0002-7863}, doi = {10.1021/jacs.6b08815}, author = {Karak, S. and Kandambeth, S. and Biswal, B. P. and Sasmal, H. S. and Kumar, S. and Pachfule, P. and Banerjee, R.} } @article {43653, title = {Copper and silver nanoparticles stabilized by bistriazole-based dendritic amphiphile micelles for 4-nitrophenol reduction}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUN}, pages = {4546-4554}, type = {Article}, abstract = {Copper and silver nanoparticles were fabricated in aqueous solution using micellar assemblies of dendritic amphiphiles containing triazole rings. Dendritic amphiphiles displaying a bistriazole unit between a hydrophobic benzyl ether dendron and two oligo(ethylene glycol) (OEG) chains were synthesized using click chemistry. Micelles were characterized by DLS, TEM, CMC determination, and dye encapsulation. Micellar size was dependent on the dendron backbone structure and OEG chain length. Metal nanoparticles were characterized by TEM and UV-Vis spectroscopy. The Cu NPs had a smaller average particle diameter than the Ag NPs. The micelle-stabilized nanoparticles, at a concentration of 7.5 ppm, were shown to efficiently catalyze the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH4 in aqueous solution without stirring, using up to 1 ppm of substrate. The reaction catalyzed by Cu NPs followed zero order kinetics (k = 3.48 x 10(-3) M s(-1)), while the Ag NP-catalyzed reaction followed pseudo-first order kinetics (k = 1.28 x 10(-3) s(-1)).}, doi = {10.1039/c7nj00605e}, author = {Patil, Naganath G. and Basutkar, Nitin B. and Ambade, Ashootosh V.} } @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 {45803, title = {Corrigendum: Agro-Industrial wastes for production of biosurfactant by bacillus subtilis ANR 88 and its application in synthesis of silver and gold nanoparticles [Front. Microbiol. 8, (492)] DOI: 10.3389/fmicb.2017.00492}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {MAY}, type = {Erratum}, doi = {10.3389/fmicb.2017.00878}, author = {Rane, A.N. and Baikar, V. V. and Ravi Kumar, V. and Deopurkar, R. L.} } @article {43909, title = {Covalent organic frameworks and organic cage structures}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {SEP}, chapter = {4866-4867}, issn = {1466-8033}, doi = {10.1039/c7ce90115a}, author = {Banerjee, Rahul and Champness, Neil R.} } @article {45703, title = {Critical role of select peptides in the loop region of G-rich PNA in the preferred G-quadruplex topology and stability}, journal = {Tetrahedron}, volume = {73}, year = {2017}, month = {MAR}, pages = {1534-1540}, type = {Article}, abstract = {

An uncharged PNA 15mer sequence formed unimolecular antiparallel G-quadruplex similar to that observed for DNA-TBA. Replacement of {\textquoteleft}tt{\textquoteright} loop regions by peptides which induce helices or turns were found to have unpresidented effect on the quadruplex topology and stability. This study opens up a completely new strategy of utilizing G-quadruplex formation to display the array of functional groups in the three dimensional space thus creating a possibility of getting closer to the dream of designed peptides with three dimensional structures as observed in catalytic protein folds. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {ESI-MS study, G-quadruplex, Peptide nucleic acid, topology}, issn = {0040-4020}, doi = {10.1016/j.tet.2017.01.055}, author = {Bose, Tanaya and Kumar, Vaijayanti A.} } @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 {43791, title = {On demand electrochemical release of drugs from porous reduced graphene oxide modified flexible electrodes}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {AUG}, pages = {6557-6565}, type = {Article}, abstract = {Despite the advantages of an electrochemical control for drug release, only a handful of electrochemical-based release systems have been developed so far. We report herein on the development of an electrochemically activatable platform for on-demand delivery of drugs. It is based on flexible gold thin film electrodes coated with porous reduced graphene oxide (prGO) nanosheets onto which the drug of interest has been integrated beforehand. Two different drugs are investigated here: ondansetron hydrochloride (ODS), a selective 5-HT3 receptor antagonist used for preventing nausea and vomiting caused by chemotherapy and radiotherapy, and ampicillin (AMP), an antibiotic to prevent and treat a number of bacterial infections such as respiratory tract infections, urinary tract infections, and meningitis. In the case of ODS, application of a negative potential bias of -0.8 V results in a sustained slow ODS release with an ODS flux of 47 mu g cm(-2) h(-1). In the case of AMP, we show that polyethyleneimine modified prGO (prGO/PEI) is an extremely efficient matrix. Upon the application of +0.8 V, 24\% of AMP could be released from the electrical interface in a time span of 2 h. The released AMP kept its antibacterial activity as demonstrated by antimicrobial tests. These examples illustrate the major benefits of the developed approach for biomedical applications.}, doi = {10.1039/c7tb00687j}, author = {Boulahneche, Samia and Jijie, Roxana and Barras, Alexandre and Chekin, Fereshteh and Singh, Santosh K. and Bouckaert, Julie and Medjram, Mohamed Salah and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {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} } @inbook {43944, title = {Designing multicomponent nanosystems for rapid detection of circulating tumor cells}, booktitle = {Methods in Molecular Biology }, volume = {1530}, year = {2017}, pages = {271-281}, abstract = {

Detection of circulating tumor cells (CTCs) in the blood circulation holds immense promise as it predicts the overall probability of patient survival. Therefore, CTC-based technologies are gaining prominence as a {\textquotedblleft}liquid biopsy{\textquotedblright} for cancer diagnostics and prognostics. Here, we describe the design and synthesis of two distinct multicomponent magnetic nanosystems for rapid capture and detection of CTCs. The multifunctional Magneto-Dendrimeric Nano System (MDNS) composed of an anchoring dendrimer that is conjugated to multiple agents such as near infrared (NIR) fluorescent cyanine 5 NHS (Cy5), glutathione (GSH), transferrin (Tf), and iron oxide (Fe3O4) magnetic nanoparticle (MNP) for simultaneous tumor cell-specific affinity, multimodal high resolution confocal imaging, and cell isolation. The second nanosystem is a self-propelled microrocket that is composed of carbon nanotube (CNT), chemically conjugated with targeting ligand such as transferrin on the outer surface and Fe3O4 nanoparticles in the inner surface. The multicomponent nanosystems described here are highly efficient in targeting and isolating cancer cells thus benefiting early diagnosis and therapy of cancer.

}, doi = {10.1007/978-1-4939-6646-2_16}, author = {Banerjee, Shashwat S. and Khobragade, Vrushali and Khandare, Jayant J.} } @article {43845, title = {Determination of onset temperature from the entropy for fragile to strong liquids}, journal = {Journal of Chemical Physics}, volume = {147}, year = {2017}, month = {JUL}, pages = {Article Number: 024504}, type = {Article}, abstract = {

In this paper, we establish a connection between the onset temperature of glassy dynamics with the change in the entropy for a wide range of model systems. We identify the crossing temperature of pair and excess entropies as the onset temperature. Below the onset temperature, the residual multiparticle entropy, the difference between excess and pair entropies, becomes positive. The positive entropy can be viewed as equivalent to the larger phase space exploration of the system. The new method of onset temperature prediction from entropy is less ambiguous, as it does not depend on any fitting parameter like the existing methods. Published by AIP Publishing.

}, doi = {10.1063/1.4991848}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article {43702, title = {Determination of triazines and triazoles in grapes using atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry}, journal = {Journal of Aoac International}, volume = {100}, year = {2017}, month = {MAY}, pages = {640-646}, type = {Article}, abstract = {A chromatography-free atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry (AP-MALDI HRMS) method is described for the simultaneous and quantitative detection of triazines and triazoles in grapes. The analytes were detected reproducibly with high mass accuracy (mass error within 5 ppm) and further confirmed by collision-induced dissociation fragmentation in tandem MS. The LODs and LOQs for all the analytes were found to be in the nanogram per gram level (15-20 ng/g LOQ). Internal standard normalized high-resolution accurate mass extracted (HR-AM) peak intensities of the detected ions were used to generate the concentration response curves. Linearity (with R-2 values around 0.99) was obtained for these curves within a concentration range of 20-200 ng/g of the individual analytes. The accuracy and precision of the method were further established using QC samples. Validation and performance comparison of the AP-MALDI HRMS method with an existing standard method using LC with :triple quadrupole MS was carried out (evaluating sensitivity, accuracy, precision, and analysis time) using 20 table-grape field samples after QuEChERS extraction.}, doi = {10.5740/jaoacint.17-0047}, author = {Mahale, Vishal and Singh, Ajeet and Phadke, Gayatri S. and Ghanate, Avinash D. and Oulkar, Dasharath P. and Banerjee, Kaushik and Panchagnula, Venkateswarlu} } @article {43945, title = {Developing techno-economically sustainable methodologies for deep desulfurization using hydrodynamic cavitation}, journal = {Fuel}, volume = {210}, year = {2017}, month = {DEC}, pages = {482-490}, type = {Journal Article}, abstract = {The present work, for the first time, describes the efficacy of the cavitation process and compares the cavitation yield for two types of cavitation devices-one employing linear flow for the generation of cavities and other employing vortex flow. The process involves pre-programmed mixing of the organic and aqueous phases, and can be carried out using simple mechanical cavitating devices such as orifice or vortex diode. The process essentially exploits in situ generation of oxidising agents such as hydroxyl radicals for oxidative removal of sulfur. The efficiency of the process is strongly dependent on the nature of device apart from the nature of the organic phase. The effects of process parameters and engineering designs were established for three organic solvents (n-octane, toluene, n-octanol) for model sulfur compound-Thiophene. A very high removal to the extent of 95\% was demonstrated. The results were also verified using commercial diesel. The cavitation yield is significantly higher for vortex diode compared to the orifice. The process has potential to provide a green approach for desulfurization of fuels or organics without the use of catalyst or external chemicals/reagents apart from newer engineering configurations for effective implementation of hydrodynamic cavitation in industrial practice and also appears to be economically sustainable.}, keywords = {Fuel, Oxidation, Petroleum, Pollution Control, Sulphur Removal}, doi = {10.1016/j.fuel.2017.08.106}, author = {Suryawanshi, N.B.}, editor = {Bhandari, V. M.} } @article {44167, title = {Diverse reactivity trends of Ni surfaces in Au@Ni core-shell nanoparticles probed by near ambient pressure (NAP) XPS}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {OCT }, pages = {4489-4498}, type = {Article}, abstract = {A mild temperature sequential reduction method in aqueous medium is reported for the synthesis of Au@Ni nanoparticles with a core-shell morphology. The nickel shell thickness with a gold core in the nanostructure can be tuned from 2 nm up to about 10 nm. Near ambient pressure XPS (NAPXPS) studies under oxygen atmosphere show that Au-80@Ni-20 with an extremely thin nickel shell (similar to 2 nm) follows a distinctly different decomposition pathway of metastable Ni(OOH) species compared to those with larger shell thickness which behave more like individual nickel surfaces. Thus, Ni(OOH) on Au-80@Ni-20 decomposes to metallic Ni at 100 degrees C and is found to resist oxidation at 0.1 mbar oxygen at this temperature. Those with a larger nickel shell thickness behave more like monometallic Ni in terms of their decomposition and oxidation properties. The Au@Ni system with an ultra thin metallic nickel overlayer (2 nm) shows high catalytic activity and selectivity for phenylacetylene hydrogenation under mild conditions which outweighs their monometallic counterparts and those with higher nickel shell thickness.}, issn = {2044-4753}, doi = {10.1039/c7cy01070b}, author = {Bharathan, Vysakh A. and Jain, Ruchi and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {44024, title = {Docetaxel-titanate nanotubes enhance radiosensitivity in an androgen-independent prostate cancer model}, journal = {International Journal of Nanomedicine}, volume = {12}, year = {2017}, month = {AUG}, pages = { 6357-6364}, type = {Journal Article}, abstract = {Around 40\% of high-risk prostate cancer patients who undergo radiotherapy (RT) will experience biochemical failure. Chemotherapy, such as docetaxel (DTX), can enhance the efficacy of RT. Multidrug resistance mechanisms often limit drug efficacy by decreasing intracellular concentrations of drugs in tumor cells. It is, therefore, of interest to develop nanocarriers of DTX to maintain the drug inside cancer cells and thus improve treatment efficacy. The purpose of this study was to investigate the use of titanate nanotubes (TiONts) to develop a TiONts-DTX nanocarrier and to evaluate its radiosensitizing in vivo efficacy in a prostate cancer model. In vitro cytotoxic activity of TiONts-DTX was evaluated using an MTS assay. The biodistribution of TiONts-DTX was analyzed in vivo by single-photon emission computed tomography. The benefit of TiONts-DTX associated with RT was evaluated in vivo. Eight groups with seven mice in each were used to evaluate the efficacy of the nanohybrid combined with RT: control with buffer IT injection {\textpm} RT, free DXL {\textpm} RT, TiONts {\textpm} RT and TiONts-DXL {\textpm} RT. Mouse behavior, health status and tumor volume were monitored twice a week until the tumor volume reached a maximum of 2,000 mm3. More than 70\% of nanohybrids were localized inside the tumor 96 h after administration. Tumor growth was significantly slowed by TiONts-DTX associated with RT, compared with free DTX in the same conditions (P=0.013). These results suggest that TiONts-DTX improved RT efficacy and might enhance local control in high-risk localized prostate cancer.}, keywords = {Docetaxel Nanocarrier, nanoparticle, Prostate Cancer, Radiosensitivity, Titanate nanotubes}, doi = {10.2147/IJN.S139167}, author = {Mirjolet, C. and Martin, E. and Boudon, J. and Loiseau, A. and Chevrier, S. and Boidot, R. and Oudot, A. and Collin, B. and Joy, P. A. and Millot, N. and Cr{\'e}hange, G.} } @article {43478, title = {Draft genome sequence of lactobacillus plantarum strains E2C2 and E2C5 isolated from human stool culture}, journal = {Standards in Genomic Sciences}, volume = {12}, year = {2017}, month = {JAN}, pages = {Article Number: 15}, abstract = {Probiotic Lactobacillus species offer various health benefits, thus have been employed in treatment and prevention of various diseases. Due to the differences in the isolation source and the site of action, most of the lactobacilli tested in-vitro for probiotics properties fail to extend similar effects in-vivo. Consequently, the search of autochthonous, efficacious and probably population specific probiotics is a high priority in the probiotics research. In this regards, whole genome sequencing of as many Lactobacillus as possible will help to deepen our understanding of biology and their health effects. Here, we provide the genomic insights of two coherent oxalic acid tolerant Lactobacillus species (E2C2 and E2C5) isolated from two different healthy human gut flora. These two isolates were found to have higher tolerance towards oxalic acid (300 mM sodium oxalate). The draft genome of strain E2C2 consists of 3,603,563 bp with 3289 protein-coding genes, 94 RNA genes, and 43.99\% GC content, while E2C5 contained 3,615,168 bp, 3293 coding genes (93.4\% of the total genes), 95 RNA genes and 43.97\% GC content. Based on 16S rRNA gene sequence analysis followed by in silico DNA-DNA hybridization studies, both the strains were identified as Lactobacillus plantarum belonging to family Lactobacillaceae within the phylum Firmicutes. Both the strains were genomically identical, sharing 99.99\% CDS that showed 112 SNPs. Both the strains also exhibited deconjugation activity for the bile salts while genome analysis revealed that the L. plantarum strains E2C2 and E2C5 also have the ability to produce vitamins, biotin, alpha-and beta-glucosidase suggesting potential probiotic activities of the isolates. The description presented here is based on the draft genomes of strains E2C2 and E2C5 which are submitted to GenBank under the accession numbers LSST00000000.1 and LTCD00000000.1, respectively.}, doi = {10.1186/s40793-017-0222-x}, author = {Suryavanshi, Mangesh V. and Paul, Dhiraj and Doijad, Swapnil P. and Bhute, Shrikant S. and Hingamire, Tejashri B. and Gune, Rahul P. and Shouche, Yogesh S.} } @article {45759, title = {Drug-triggered self-assembly of linear polymer into nanoparticles for simultaneous delivery of hydrophobic and hydrophilic drugs in breast cancer cells}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {DEC}, pages = {8730-8740}, type = {Article}, abstract = {

Breast cancer is the most devastating disease among females globally. Conventional chemotherapeutic regimen relies on the use of highly cytotoxic drugs as monotherapy and combination therapy leading to severe side effects to the patients as collateral damage. Moreover, combining hydrophobic and hydrophilic drugs create erratic biodistribution and suboptimal medicinal outcome. Hence, packaging multiple drugs of diverse mechanisms of action and biodistribution for safe delivery into tumor tissues with optimal dosages is indispensable for next-generation breast cancer therapy. To address these, in this report, we describe a unique cisplatin-triggered self-assembly of linear polymer into 3D-spherical sub 200 nm particles. These nano-particles comprise a hydrophobic (paclitaxel) and hydrophilic drug (cisplatin) simultaneously in a single particle. Molecular dynamics simulation revealed hydrophilic-hydrophilic interaction and interchain H-bonding as underlying mechanisms of self-assembly. Confocal microscopy studies evidently demonstrated that these novel nanoparticles can home into lysosomes in breast cancer cells, fragment subcellular nuclei, and prevent cell division, leading to improved breast cancer cell death compared to free drug combination. Moreover, 3D-breast tumor spheroids were reduced remarkably by the treatment of these nanoparticles within 24 h. These dual-drug-loaded self-assembled polymeric nanoparticles have prospective to be translated into a clinical strategy for breast cancer patients.

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01400}, author = {Palvai, Sandeep and Anandi, Libi and Sarkar, Sujit and Augustus, Meera and Roy, Sudip and Lahiri, Mayurika and Basu, Sudipta} } @article {45697, title = {Effect of reduction protocol of Pd catalysts on product distribution in furfural hydrogenation}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {24-32}, type = {Article}, abstract = {Single step conversion of furfural to ring hydrogenation and decarbonylation products, 2-methyltetrahydrofuran (2-MeTHF) and tetrahydrofuran (THF) in high selectivity was achieved by controlling the particle size of Pd/C catalyst. The particle size variation of Pd/C catalysts in the range of 3.8 to 22 nm could be achieved by employing different reducing agents. Of particular interest was the NaBH4 reduced catalyst (Pd-B/C), which gave the lowest crystallite size of 4.8 nm due to incorporation of B into the inner lattices of Pd-Pd. This phase was evidenced by a characteristic XRD peak of Pd-B at 2q=38.85 degrees as well as a shift of (111) peak (40.07 degrees) of Pd towards the lower value (39.8 degrees). As compared to formaldehyde reduced catalyst (Pd-F/C), Pd-B/C catalyst completely suppressed the formation of furfuryl alcohol to give > 65\% selectivity to 2-MeTHF and THF. At 180 degrees C, almost equal distribution of side chain hydrogenation and ring opening products, 2-MF (45\%) and PeDO (37 \%), respectively, was observed while, higher temperature clearly favoured ring hydrogenation and decarbonylation reactions to give 2-MeTHF and THF.}, doi = {10.1002/slct.201601790}, author = {Date, N. S. and Biradar, N. S. and Chikate, R. C. and Rode, C. V.} } @article {43860, title = {Effect of viscoelastic relaxation modes on stability of extrusion film casting process modeled using multi-mode Phan-Thien-Tanner constitutive equation}, journal = {Applied Mathematical Modelling}, volume = {47}, year = {2017}, month = {JUL}, pages = {487-500}, type = {Article}, abstract = {Extrusion film casting (EFC) is a commercially important process that is used to produce a significant quantity of polymer films, sheets and coatings for both industrial and household applications. Recently, we have demonstrated the influence of polymer chain architecture on the extent of necking under isothermal as well as non-isothermal film casting operation for commercially relevant polyolefin based materials [1-4]. In the present research, we focus on another instability that frequently occurs in high-speed EFC process called as draw resonance. Draw resonance manifests itself as an instability that causes periodic fluctuations in both the width as well as thickness of the extruded molten film above a critical draw ratio (DR). In this work, we have carried out a linear stability analysis of the isothermal EFC process using a multi-mode Phan-Thien-Tanner (PTT) constitutive equation to determine the onset of draw resonance. We show that as the number of relaxation modes is increased there is a dramatic change in the stability regions. In particular, there is a marked variation in the stability regions obtained by Simulating the multi-mode model and those obtained by taking averaged relaxation time of the modes. Additionally, as the number of faster-relaxing modes in a multi-mode spectrum is progressively increased, the process becomes increasingly stable as the level of elasticity in the melt decreases. Finally, the addition of a long relaxation mode in a multi-mode spectrum is akin to adding a long chain branch to a linear polymer that leads to a reduction in film necking and in many cases to enhanced process stability. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.apm.2017.03.010}, author = {Dhadwal, Renu and Banik, Sourya and Doshi, Pankaj and Pol, Harshawardhan} } @article {43962, title = {Effective degradation of organic water pollutants by atmospheric non-thermal plasma torch and analysis of degradation process}, journal = {Chemosphere}, volume = {167}, year = {2017}, month = {JAN}, pages = {396-405}, type = {Article}, abstract = {The paper reports the use of atmospheric non-thermal plasma torch as a catalyst for degradation of various organic pollutants dissolved in water. A flow of He mixed with air was used to produce the dielectric barrier discharge (DBD), at the tip of the torch, using pulsed electric excitation at 12 kV. The torch, operated at a power of 750 mW/mm{\texttwosuperior}, was seen to completely degrade the aqueous solutions of the pollutants namely methylene blue (MB), methyl orange (MO) and rhodamine-B (RB), at around 10$^{-}$$^{4}$ M concentrations, the concentration of polluants is one order higher than of routinely used heterogeneous photocatalytic reactions, within 10 min of irradiation time at room temperature. UV Visible spectra of the organic dye molecules, monitored after different intervals of plasma-irradiation, ranging between 1 and 10 min, have been used as tools to quantify their sequential degradation. Further, instead of using He, only air was used to form plasma plume and used for degradation of organic dye which follow similar trend as that of He plasma. Further, Liquid Chromatography Mass Spectroscopy (LCMS) technique has been used to understand degradation pathway of methylene blue (MB) as a representative case. Total organic carbon (TOC) measurements indicates significant decrease in its content as a function of duration of plasma exposure onto methylene blue as a representative case. Toxicity studies were carried out onto Gram negative Escherichia coli. This indicated that methylene blue, without plasma treatment, shows growth inhibition, whereas with plasma treatment no inhibition was observed.}, doi = {10.1016/j.chemosphere.2016.09.089}, author = {Bansode, Avinash H. and More, Supriya Eknath and Siddiqui, Ejaz Ahmad and Satpute, Shruti and Ahmad, Absar and Bhoraskar, Sudha V. and Mathe, Vikas L.} } @article {43738, title = {Effects of micellization on growth kinetics of methane hydrate}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {APR}, pages = {3687-3698}, type = {Article}, abstract = {Surfactants are Specific functional materials, that form various types of self-assemblies and affect local water ordering alongside solution properties. Such surface active agents are used extensively in gas hydrate based applications as kinetic hydrate promoters. To understand the effect of surfactant micelles on hydrate formation kinetics, a novel surfactant system capable of producing micelles at hydrate forming temperature was developed. The presence of surfactant micelles in this new system (a combination of anionic surfactant SDS and zwitterionic surfactant CAPB) was determined through DLS measurements. Pure methane and a coal bed methane mixture were individually used to assess the efficacy of the surfactant mixture for hydrate formation. This study conclusively proves for the first time that the presence of surfactant micelles enhances hydrate formation kinetics. The findings reported here can contribute significantly toward improving the utility of surfactants in gas hydrate based technological applications such as gas separation and methane storage.}, doi = {10.1021/acs.iecr.7b00328}, author = {Bhattacharjee, Gaurav and Kushwaha, Omkar Singh and Kumar, Asheesh and Khan, Muzammil Yusuf and Patel, Jay Narayan and Kumar, Rajnish} } @article {44170, title = {Efficient and durable oxygen reduction electrocatalyst based on CoMn alloy oxide nanoparticles supported over N-doped porous graphene}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {OCT}, pages = {6700-6710}, type = {Article}, abstract = {Transition metal oxide derived materials are very important for various applications, such as electronics, magnetism, catalysis, electrochemical energy conversion, and storage. Development of efficient and durable catalysts for the oxygen reduction reaction (ORR), an important reaction in fuel cells and metal air batteries, is highly desirable. Moreover, the futuristic catalysts for these applications need to be costeffective in order to ensure a competitive edge for these devices in the energy market. This article describes the synthesis of a cost-effective and efficient electrocatalyst for ORR It is based on supporting CoMn alloy oxide nano particles on N-doped porous graphene through a simple and scalable microwave irradiation method. Microwave irradiation was found to be very crucial for the fast creation of pores in the graphene framework with a concomitant formation of the CoMn alloy oxide nanoparticles. A series of catalysts have been synthesized by varying the Co:Mn ratio, among which, the one with the Co:Mn ratio of 2:1 [designated as CoMn/pNGr(2:1)] displayed remarkably higher ORR activity in 0.1 M KOH solution. It showed a similar to 60 mV potential shift with a low Tafel slope of 74 mV/decade, which is comparable to that derived from the commercial Pt/C catalyst. This high activity of CoMn/pNGr(2:1) has been credited to the cooperative effect arising from the metal entities and the defects present in the N-doped porous graphene. Finally, real system-level validations of the use of CoMn/pNGr(2:1) as cathode catalyst could be performed by fabricating and testing single-cells of an anion-exchange membrane fuel cell (AEMFC) and a primary Zn-air battery, which successfully demonstrated the efficiency of the catalyst to facilitate ORR in real integrated systems of the single-cell assemblies.}, keywords = {anion-exchange membrane fuel cell, cooperativity effect, microwave synthesis, oxygen reduction reaction, porous N-doped graphene, Zn-air battery}, issn = {2155-5435}, doi = {10.1021/acscatal.7b01983}, author = {Singh, Santosh K. and Kashyap, Varchaswal and Manna, Narugopal and Bhange, Siddheshwar N. and Soni, Roby and Boukherroub, Rabah and Szunerits, Sabine and Kurungot, Sreekurnar} } @article {43982, title = {Efficient exciton to dopant energy transfer in Mn2+-Doped (C4H9NH3)2PbBr4 two-dimensional (2D) layered perovskites}, journal = {Chemistry of Materials}, volume = {29}, year = {2017}, month = {SEP}, pages = {7816-7825}, type = {Journal Article}, abstract = {Three-dimensional ABX3 perovskite material has attracted immense interest and applications in optoelectronic devices, because of their enabling properties. Recently, Mn2+ doping directly into APbCl3-type three-dimensional (3D) nanocrystals, manifesting host-to-dopant energy transfer, have been reported for LED display applications. Strongly bound excitons in the doped system can enhance the dopant-carrier exchange interactions, leading to efficient energy transfer. Here, we report the simple and scalable synthesis of Mn2+-doped (C4H9NH3)2PbBr4 two-dimensional (2D) layered perovskites. The Mn2+-doped 2D perovskite shows enhanced energy transfer efficiency from the strongly bound excitons of the host material to the d electrons of Mn2+ ions, resulting in intense orange-yellow emission, which is due to spin-forbidden internal transition (4T1 {\textrightarrow} 6A1) with the highest quantum yield (Mn2+) of 37\%. Because of this high quantum yield, stability in ambient atmosphere, and simplicity and scalability of the synthetic procedure, Mn2+-doped 2D perovskites could be beneficial as color-converting phosphor material and as energy down-shift coating for perovskite solar cells. The newly developed Mn2+-doped 2D perovskites can be a suitable material to tune dopant-exciton exchange interactions to further explore their magneto-optoelectronic properties.}, keywords = {Doping (additives), Energy Efficiency, Energy Transfer, Exchange interactions, Excitons, Light Emitting Diodes}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.7b02429}, author = {Biswas, A.}, editor = {Bakthavatsalam, R.} } @article {43539, title = {Efficient Sn(II)-catalyzed one-pot synthesis of a 3-substituted azetidine-2,4-dione framework}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {MAR}, pages = {2385-2391}, abstract = {A novel Sn(II)-catalyzed tandem cyclization reaction of aromatic aldehydes with ethyl cyanoacetate has been achieved to afford a series of 3-substituted azetidine-2,4-diones in good to excellent yields. This protocol provides straightforward access to construct the azetidine core through sequential Knoevenagel condensation, hydration and the C-N cyclization reaction.}, doi = {10.1039/c7ob00294g}, author = {Chavan, Santosh S. and Supekar, Mrudul V. and Burate, Pralhad A. and Rupanwar, Bapurao D. and Shelke, Anil M. and Suryavanshi, Gurunath} } @article {45653, title = {Efficient synthesis of functionalized olefins by wittig reaction using amberlite resin as a mild base}, journal = {Synthetic Communications}, volume = {47 }, year = {2017}, month = {JUL}, pages = {581-589}, type = {Article}, abstract = {

A convenient procedure for the synthesis of olefins by the reaction of stabilized, semistabilized, and nonstabilized phosphorous ylides with various aldehydes or ketone using Amberlite resin as a mild base is described. Our developed method offers facile and racemization-free synthesis of ,-unsaturated amino esters and chiral allylic amine. The developed methodology offers mild reaction conditions, high efficiency, and facile isolation of the final products, a practical alternative to known procedures

}, doi = {10.1080/00397911.2016.1276191}, author = {Valkute, Tushar R. and Aratikatla, Eswar K. and Bhattacharya, Asish K.} } @article {43505, title = {Efficient trifluoromethylation of C(sp(2))-H functionalized alpha-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JAN}, pages = {10150-10153}, abstract = {An operationally simple approach for the regioselective construction of diversely substituted trifluoromethylated pyrazoles via nucleophilic trifluoromethylation of iodo-substituted alpha-oxoketene dithioacetals is described. X-ray crystallographic studies confirmed the trifluoromethylation as well as formation of a regioselective cyclized product. Furthermore, trifluoromethylated pyrazoles bearing thiomethyl groups may allow further functionalization and are of considerable interest in medicinal chemistry.}, doi = {10.1039/c7ra01130j}, author = {Sharma, N. and Kumari, N. and Chundawat, T. S. and Kumar, S. and Bhagat, S.} } @article {43916, title = {Efficient valorisation of palm shell powder to bio-sorbents for copper remediation from aqueous solutions}, journal = {Journal of Environmental Chemical Engineering}, volume = {5}, year = {2017}, month = {APR}, type = {Article}, abstract = {Alternative bio-sorbents, prepared from cost effective pre-treatment of biomass have been used to remediate toxic heavy metals. Palm shell powder (PSP) and acid treated palm shell powder (APSP) provide an attractive approach for the removal of Cu(II) from aqueous solutions and further use of the copper loaded adsorbents as catalysts. PSP was charred with sulfuric acid (H2SO4) to oxidize ligno-cellulosic groups present in PSP, resulted in acid treated palm shell powder (APSP). Structure property relationship was explored with the help of sophisticated spectroscopic tools ({\textonesuperior}{\textthreesuperior}C nuclear magnetic resonance ({\textonesuperior}{\textthreesuperior}C NMR), X-Ray photoelectron spectroscopy (XPS), X-Ray diffraction (XRD) and Fourier-transform infrared (FTIR) spectroscopy). Pretreatment lead to conversion of ligno-cellulosic content to more valuable and easily process-able polysaccharide content.APSP and PSP displayed a maximum adsorption capacity of 125 and 36 mg/g respectively for copper. Copper adsorption was found to be more in APSP due to presence of COOH groups which rendered the surface more hydrophilic and amenable to enhanced Cu{\texttwosuperior}$^{+}$ sorption. Furthermore the adsorbents loaded with copper could be used as catalysts for oxidation of styrene. The developed adsorbents promise advantages such as low cost, high adsorption capacity, environmental friendliness as well as zero sludge. }, doi = {10.1016/j.jece.2017.04.033}, author = {Kushwaha, Shilpi and Soni, Harnish and Bojja, Sreedhar and Padmaja, P.} } @article {43884, title = {Electrochemical water oxidation catalyzed by an in situ generated alpha-Co(OH)(2) film on zeolite-Y surface}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JUN}, pages = {8051-8057}, type = {Article}, chapter = {8051-8057}, abstract = {The design and synthesis of an efficient and robust water-oxidation catalyst with inexpensive materials remains an important challenge in the context of artificial photosynthesis. Herein, a simple but unique technique is reported to in situ generate a thin-film of alpha-Co(OH)(2) on the surface of zeolite-Y [hereafter referred to as Y-alpha-Co(OH)(2)] that acts as an efficient and stable catalyst for electrochemical water oxidation in alkaline medium. Catalyst Y-alpha-Co(OH)(2) is so stable that it retains its catalytic activity even after 2000 cyclic voltammetric cycles of water oxidation. Expectedly, the chemical composition of alpha-Co(OH)(2) on the surface of zeolite-Y remains same as that of parent Y-alpha-Co(OH)(2) after 2000 electrocatalytic cycles. A Tafel slope as low as 59 mV decade(-1) in 0.1m KOH (pH 13) suggests faster oxygen evolution kinetics (overpotential = 329 mV; turnover frequency = 0.35 mol O-2 (mol Co)(-1)s(-1) at 1 mA cm(-2)) than the existing alpha-Co(OH)(2)-based electrocatalysts operating in alkaline medium.}, issn = {0947-6539}, doi = {10.1002/chem.201700955}, author = {Bose, Suranjana and Debgupta, Joyashish and Ramsundar, Rani M. and Das, Samar K.} } @article {45720, title = {Electrostatic origin of the red solvatochromic shift of DFHBDI in RNA spinach}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {MAY}, pages = {4790-4798}, type = {Article}, abstract = {

Interactions with the environment tune the spectral properties of biological chromophores, e.g., fluorescent proteins. Understanding the relative contribution of the various types of noncovalent interactions in the spectral shifts can provide rational design principles toward developing new fluorescent probes. In this work, we investigate the origin of the red shift in the absorption spectra of the difluoro hydroxybenzylidene dimethyl imidazolinone (DFHBDI) chromophore in RNA spinach as compared to the aqueous solution. We systematically decompose the effects of various components of interactions, namely, stacking, hydrogen bonding, and long-range electrostatics, in order to elucidate the relative role of these interactions in the observed spectral behavior. We find that the absorption peak of DFHBDI is red-shifted by similar to 0.35 eV in RNA relative to the aqueous solution. Earlier proposals from Huang and co-workers have implicated the stacking interactions between DFHBDI and nucleic acid bases to be the driving force behind the observed red shift. In contrast, our findings reveal that the long-range electrostatic interactions between DFHBDI and negatively charged RNA. make the most significant contribution. Moreover, we notice that the opposing electrostatic fields due to the RNA backbone and the polarized water molecules around the RNA give rise to the resultant red shift. Our results emphasize the effect of strong heterogeneity in the various environmental factors that might be competing with each other.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.7b02445}, author = {Bose, Samik and Chakrabarty, Suman and Ghosh, Debashree} } @article {44005, title = {Elucidation of molecular mechanism of stability of the heme-regulated eIF2α kinase upon binding of its ligand, hemin in its catalytic kinase domain}, journal = {Journal of Biomolecular Structure and Dynamics }, volume = {35}, year = {2017}, month = {SEP}, pages = {1-17}, type = {Journal Article}, abstract = {The eIF2α kinase activity of the heme-regulated inhibitor (HRI) is regulated by heme which makes it a unique member of the family of eIF2α kinases. Since heme concentrations create an equilibrium for the kinase to be active/inactive, it becomes important to study the heme binding effects upon the kinase and understanding its mechanism of functionality. In the present study, we report the thermostability achieved by the catalytic kinase domain of HRI (HRI.CKD) upon ligand (heme) binding. Our CD data demonstrates that the HRI.CKD retains its secondary structure at higher temperatures when it is in ligand bound state. HRI.CKD when incubated with hemin loses its monomeric state and attains a higher order oligomeric form resulting in its stability. The HRI.CKD fails to refold into its native conformation upon mutation of H377A/H381A, thereby confirming the necessity of these His residues for correct folding, stability, and activity of the kinase. Though our in silico study demonstrated these His being the ligand binding sites in the kinase insert region, the spectra-based study did not show significant difference in heme affinity for the wild type and His mutant HRI.CKD.}, keywords = {Heme Regulated Inhibitor (HRI), HRI-eIF2α Complex, Protein{\textendash}Ligand Modeling, Thermostability}, doi = {10.1080/07391102.2017.1368417}, author = {Bhavnani, V.}, editor = {Kaviraj, S.} } @article {43910, title = {Enantioselective synthesis of functionalized β-lactones by NHC-catalyzed aldol lactonization of ketoacids}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {AUG}, type = {Article}, abstract = {N-Heterocyclic carbene (NHC)-catalyzed intramolecular aldol lactonization of readily available ketoacids leading to the enantioselective synthesis of cyclopentane-fused β-lactones is presented. The reaction proceeds via the generation of NHC-bound enolate intermediates formed from the ketoacids in the presence of the peptide coupling reagent HATU and NHC generated from the chiral triazolium salt. The functionalized β-lactones are formed under mild conditions in high yields and enantioselectivities.}, doi = {10.1021/acs.joc.7b01526}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43351, title = {Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3+2] annulation of enals with 3-hydroxy oxindoles}, journal = {Organic \& Biomolecular Chemistry }, volume = {16}, year = {2017}, month = {FEB}, pages = {2013 - 2019}, abstract = {The N-heterocyclic carbene (NHC)-catalyzed enantioselective formal [3 + 2] annulation of α,β-unsaturated aldehydes with 3-hydroxy oxindoles is presented. Under oxidative conditions using the bisquinone oxidant, the reaction resulted in the synthesis of spiro γ-butyrolactones in moderate to good yields, enantioselectivity and diastereoselectivity. The reaction likely proceeds via the generation of the NHC-bound α,β-unsaturated acylazolium intermediate from enals, which was intercepted by the dioxindoles in a formal [3 + 2] pathway to form the spirocyclic compounds. However, a deeper mechanistic investigation revealed that the reaction can also proceed via the homoenolate intermediate. In this case, the dioxindole was oxidized to the corresponding isatin derivative using traces of air under basic conditions, and was intercepted with the NHC-bound homoenolate intermediate in a formal [3 + 2] pathway to afford the spiro compound.}, doi = {10.1039/C7OB00148G}, author = {Mukherjee, Subrata and Joseph, Sumi and Bhunia, Anup and Gonnade, Rajesh Ghanshyam and Reddy, Santhi Vardhan and Biju, Akkattu T.} } @article {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 {44126, title = {Enhanced field emission performance of MoO3 nanorods and MoO3-rGO nanocomposite}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {NOV}, pages = {10912-10917}, type = {Article}, abstract = {

The graphene and semiconducting hybrid based nanostructures have emerged as a new class of multifunctional materials with improved performance in comparison to the pristine semiconductors. Here, as-synthesized MoO3-reduced graphene oxide (rGO) nanocomposite emitter exhibits enhanced field emission (FE) behavior as compared to the pristine 1D MoO3 nanorods. The hydrothermally synthesized 1D MoO3 nanorods (1D) are grafted on the rGO sheet (2D) using a simple room temperature sonochemical method. The morphological and structural analysis confirms the attachment of MoO3 nanorods with rGO and the improved conductivity of the sample indicates a strong electronic interaction between them. Furthermore, the FE studies of as-synthesized MoO3 nanorods and MoO3-rGO nanocomposite emitters, carried out at a base pressure -1 x 10(-8) mbar, reveals the values of turn on field (required to draw an emission current density of 1 mu A/cm(2)) as 1.6 and 1.4 V/mu m, respectively. Interestingly, the maximum emission current density of 2810 mA/cm(2) is achieved at a lower applied field of 2.7 V/mu m from the MoO3-rGO nanocomposite emitter. The enhancement in FE performance of MoO3-rGO nanocomposite is attributed to the improved electrical conductivity, mechanical properties and higher concentration of protruding edges (emission sites). This observation can be extended to other graphene-based 1D inorganic hybrid semiconductor nanocomposites, which can provide a valuable opportunity to explore novel hybrid materials for vacuum nano-electronic devices.

}, doi = {10.1002/slct.201701914}, author = {Bankar, Prashant K. and Khandare, Lina N. and Late, Dattatray J. and More, Mahendra A.} } @article {43785, title = {Enhanced field emission performance of NiMoO4 nanosheets by tuning the phase}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {270-274 }, type = {Article}, abstract = {In this paper we report, large scale synthesis of a and beta-NiMoO4 by a facile hydrothermal method and we observed that urea plays important role on the growth of beta-NiMoO4 nanosheets. We have also carried out field emission (FE) investigations of alpha and beta-NiMoO4 at a base pressure of similar to 1 x 10(-8) mbar. The obtained turn-on field at emission current density of 1 mu A/cm(2) for beta-NiMoO4 nanosheets and alpha-NiMoO4 is 1.3V/mu m and 2.2V/mu m respectively were observed. The maximum field emission current density of 1.006 mA/cm(2) at an applied electric field of 2.7V/mu m was achieved for beta-NiMoO4 nanosheets. Furthermore, we found that the beta-NiMoO4 nanosheets possess good field emission performance compared to alpha-NiMoO4. The results indicate that NiMoO4 can be used as a promising material in FE applications with possibility of tuning field emission performance by controlling the phase. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2017.02.177}, author = {Bankar, Prashant K. and Ratha, Satyajit and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {43980, title = {Enhanced field emission performance of NiMoO4 nanosheets by tuning the phase}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {270-274}, type = {Journal Article}, abstract = {In this paper we report, large scale synthesis of α and β-NiMoO4 by a facile hydrothermal method and we observed that urea plays important role on the growth of β-NiMoO4 nanosheets. We have also carried out field emission (FE) investigations of α and β-NiMoO4 at a base pressure of \~{}1 {\texttimes} 10-8 mbar. The obtained turn-on field at emission current density of 1 μA/cm2 for β-NiMoO4 nanosheets and α -NiMoO4 is 1.3 V/μm and 2.2 V/μm respectively were observed. The maximum field emission current density of 1.006 mA/cm2at an applied electric field of 2.7 V/μm was achieved for β-NiMoO4 nanosheets. Furthermore, we found that the β-NiMoO4 nanosheets possess good field emission performance compared to α-NiMoO4. The results indicate that NiMoO4can be used as a promising material in FE applications with possibility of tuning field emission performance by controlling the phase.}, keywords = {Current stability, field emission, nanosheets, NiMoO4}, doi = { 10.1016/j.apsusc.2017.02.177}, author = {Bankar, P. K.}, editor = {Ratha, S.} } @article {45724, title = {Environmentally benign bioderived carbon microspheres-supported molybdena nanoparticles as catalyst for the epoxidation reaction}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {JAN}, pages = {904-910}, type = {Article}, abstract = {

A one pot synthesis of molybdenum oxide nanoparticles (NPs supported on bioderived carbon microspheres is reported. The catalyst was synthesized by the low temperature hydrothermal (LTH) method using D-glucose and bagasse as the carbon source. The carbonization of bagasse resulted in the formation of nonuniform carbon microspheres while glucose resulted in uniform carbon spheres. SEM and STEM elemental mapping show the uniform distribution of molybdenum oxide NPs over the carbon microspheres. XPS spectroscopy confirmed that molybdenum was in the Mo6+ oxidation state. The 1\% MoO3 supported on carbon microspheres derived from D-glucose showed excellent catalytic activity up to 100\% olefin conversion with 100\% epoxide selectivity using organic tent-butyl hydroperoxide as an oxidant. The catalyst was successfully used for up to five cycles without losing substantial activity and selectivity.

}, keywords = {Carbon microspheres, epoxidation, heterogeneous catalysis, Hydrothermal synthesis, TBHP}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.6b02229}, author = {Doke, Dhananjay S. and Umbarkar, Shubhangi B. and Gawande, Manoj B. and Zbori, Radek and Biradar, Ankush V.} } @article {43915, title = {Epalrestat-cytosine cocrystal and salt structures: attempt to control E,Z -> Z,Z isomerization}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {MAY}, pages = {3350{\textendash}3360}, type = {Article}, abstract = {Cocrystallization of the anti-diabetic drug Eparlestat (EPR) with cytosine (CYT) gave EPR--CYT-H+ form I, a salt-cocrystal hybrid structure, salt hydrate (EPR--CYT-H+-H2O, 1:2:1), and non-stoichiometric solvates of EPR--CYT-H+ with EtOH/n-PrOH included in the rhombohedral symmetry voids, referred to as form II. Desolvation of EPR--CYT-H+ form II solvates resulted in an unsolvated form II of EPR--CYT-H+ which was characterized by DSC, TGA and NMR. The carboxylate{\textbullet}{\textbullet}{\textbullet}cytosinium synthon was observed in the salts structure along with the uncommon CYT-H+{\textbullet}{\textbullet}{\textbullet}H+-CYT base pairing in the structures of salt-cocrystal hybrid and salt hydrate. The crystalline forms were characterized by spectroscopic (IR, NMR), thermal (DSC, HSM, TGA), powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SC-XRD) techniques. The intent of using the salt/ salt-cocrystal forms as a means to stop the E,Z  Z,Z isomerization of EPR was not successful in photo-irradiation experiments.}, doi = {10.1021/acs.cgd.7b00322}, author = {Nangia, Ashwini Kumar and Battini, Swapna} } @article {43842, title = {Exploiting the dual role of ethynylbenziodoxolones in gold-catalyzed C(sp)-C(sp) cross-coupling reactions}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {7937-7940}, type = {Article}, abstract = {Reported herein is the gold-catalyzed alkynylation of terminal alkynes using ethynylbenziodoxolones (EBXs), where EBXs serve a dual role as oxidants as well as alkyne transfer agents to access unsymmetrical 1,3-diynes. Hence, the catalytic system requires no external oxidants and is compatible with a broad range of substrates, including those with polar functional groups such as NH, OHand B(OH)(2).}, doi = {10.1039/c7cc04283c}, author = {Banerjee, Somsuvra and Patil, Nitin T.} } @article {43886, title = {Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [(VO)-O-IV(beta-diketonate)2] with 2-aminobenzoyl-hydrazide in aerobic and anaerobic conditions}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {SEP}, type = {Article}, abstract = {

Refluxing [(VO)-O-IV(beta-diketonate)(2)], namely [(VO)-O-IV(acetylacetonate)(2)] and [(VO)-O-IV(benzoylacetonate)(2)], separately with an equivalent or excess amount of 2-aminobenzoylhydrazide (ah) in laboratory grade (LG) CH3OH in aerobic conditions afforded non-oxidovanadium(IV) and oxidovanadium(V) complexes of the type [V-IV(L-1)(2)] (1), [(VO)-O-V(L-1)(OCH3)](2) (3) and [V-IV(L-2)(2)] (2), and [(VO)-O-V(L-2)(OCH3)] (4), respectively. (L-1)(2-) and (L-2)(2-) represent the dianionic forms of 2-aminobenzoylhydrazone of acetylacetone (H2L1) and benzoylacetone (H2L2), respectively, (general abbreviation, H2L), which was formed by the in situ condensation of ah with the respective coordinated [beta-diketonate] in medium-to-good yield. The yield of different resulting products was dependent upon the ratio of ah to [(VO)-O-IV(beta-diketonate)(2)]. For example, the yield of 1 and 2 complexes increased significantly associated with a decrease in the amount of 3 and 4 with an increase in the molar ratio of ah. Upon replacing CH3OH by a non-hydroxylic solvent, LG CHCl3, the above reaction yielded only oxidovanadium(V) complexes of the type [(VO)-O-V(L-1)(OH)](2) (5), [(VO)-O-V(L-2)(OH)] (6) and [(V2O3)-O-V(L)(2)] (7, 8) whereas, upon replacing CHCl3 by another non-hydroxylic solvent, namely LG CH3CN, only the respective [(V2O3)-O-V(L)(2)] (7, 8) complex was isolated in 72-78\% yield. However, upon performing the above reactions in the absence of air using dry CH3OH or dry CHCl3, only the respective [V-IV(L)(2)] complex was obtained, suggesting that aerial oxygen was the oxidising agent and the type of pentavalent product formed was dependent upon the nature of solvent used. Complexes 3 and 4 were converted, respectively, to 7 and 8 on refluxing in LG CHCl3 via the respective unstable complex 5 and 6. The DFT calculated change in internal energy (Delta E) for the reactions 2[(VO)-O-V(L-2)(OCH3)] + 2H(2)O -\> 2[(VO)-O-V(L-2)(OH)] + 2CH(3)OH and 2[(VO)-O-V (L-2)(OH)] -\> [(V2O3)-O-V(L-2)(2)] + H2O was, respectively, +3.61 and -7.42 kcal mol(-1), suggesting that the [(VO)-O-V(L-2) (OH)] species was unstable and readily transformed to the stable [(V2O3)-O-V(L-2)(2)] complex. Upon one-electron reduction at an appropriate potential, each of 7 and 8 generated mixed-valence [(L) (VO)-O-V-(mu-O)-OVIV(L)]species, which showed valence-delocalisation at room temperature and localisation at 77 K. Some of the complexes showed a wide range of toxicity in a dose-dependent manner against lung cancer cells comparable with that observed with cis-platin.

}, keywords = {Effective Core Potentials, Lung-cancer cells, Molecular-Orbital Methods, Non-oxido vanadium(iv), Non-Oxo, Oxovanadium(iv) Complexes, Tridentate ono ligand; Ray crystal-structure, Trigonal-prismatic Co-ordination, V-IV complex}, issn = {1477-9226}, doi = {10.1039/c7dt01776f}, author = {Biswas, Nirmalendu and Patra, Debashis and Mondal, Bipul and Bera, Sachinath and Acharyya, Swarnali and Biswas, Anup Kumar and Mukhopadhyay, Titas Kumar and Pal, Amrita and Drew, Michael G. B. and Ghosh, Tapas} } @article {44119, title = {Exploring the role of GS-GOGAT cycle in microcystin synthesis and regulation - a model based analysis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {DEC}, pages = {2603-2614}, type = {Article}, abstract = {Toxic cyanobacteria blooms populate water bodies by consuming external nutrients and releasing cyanotoxins that are detrimental for other aquatic species, producing a significant impact on the plankton ecosystem and food web. To exercise population-level control of toxin production, understanding the biochemical mechanisms that explain cyanotoxin regulation within a bacterial cell is of utmost importance. In this study, we explore the mechanistic events to investigate the dependence of toxin microcystin on external nitrogen, a known regulator of the toxin, and for the first time, propose a kinetic model that analyzes the intracellular conditions required to ensure nitrogen dependence on microcystin. We hypothesize that the GS-GOGAT cycle is manipulated by variable influx of different intracellular metabolites that can either disturb or promote the balance between the enzyme microcystin synthetase and substrate glutamate to produce variable microcystin levels. As opposed to the popular notion that nitrogen starvation increases microcystin synthesis, our analyses suggest that under certain intracellular metabolite regimes, this relationship can either be completely lost or reversed. External nitrogen can only complement the conditions fixed by intracellular glutamate, glutamine and 2-oxoglutarate. This mechanistic understanding can provide an experimentally testable hypothesis for exploring the less-known biology of microcystin synthesis and designing specific interventions.}, doi = {10.1039/c7mb00342k}, author = {Banerjee, Swarnendu and Subramanian, Abhishek and Chattopadhyay, Joydev and Sarkar, Ram Rup} } @article {43849, title = {Facile synthesis and self-cleaning application of bimetallic (CuSn, CuNi) dendrites}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5552-5563}, type = {Article}, abstract = {

Bimetallic dendrites (Au, Ag, Pt, Pd) have received intense research interest due to their applications in catalysis and sensing. However, reports on rational synthesis of non-noble bimetallic dendrites that finds self-cleaning applications are scanty. Here, we demonstrate one step co-reduction based galvanic replacement reaction (GRR) for synthesis of alloyed bimetallic dendrites (CuSn, CuNi) with controlled surface roughness and chemical composition. Probing their growth process reveals that i) for CuSn dendrites, co-reduction of Cu2+ and Sn2+ is observed throughout GRR; ii) for CuNi dendrites, Cu nanoparticle, that deposits initially, augments the reduction of Ni2+ which leads to CuNi alloy phase formation during later stages of GRR. These dendrites, naturally having dual degree of surface roughness (micro/nano), have been exploited here for fabricating superhydrophobic surfaces (SHS) with excellent self-cleaning abilities. They show enabling properties such as high contact angle, minimal contact angle hysteresis, and excellent Cassie state stability with no impalement. They maintain superhydrophobicity when exposed to different environmental conditions (low temperature, high temperature, exposure to corroding solutions and UV radiation). The present facile methodology for fabrication of bimetallic dendrites is beneficial for low-cost production of functional nano/micro-materials.

}, doi = {10.1002/slct.201700763}, author = {Biswas, Anupam and Kulkarni, Mayuresh A. and Bakthavatsalam, Rangarajan and Mondal, Sourik K. and Dwivedi, Pravin K. and Shelke, Manjusha V. and Devi, Radhamonyamma N. and Banpurkar, Arun G. and Kundu, Janardan} } @article {44138, title = {Facile synthesis of Al2O3-Pt nanocomposite and its catalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {NOV}, pages = {Article Number: 115002}, type = {Article}, abstract = {Pt nanoparticles were synthesized on gamma-alumina support in presence of oleic acid which was found to prevent clustering of Pt nanoparticles on the support. Various percentage of Pt loading on the alumina changed the catalytic activity for preferential oxidation of CO at relatively low temperature in H-2 rich stream. Pt nanoparticles when synthesized in absence of oleic acid, were all clustered and did not have any catalytic activity. The presence of oleic acid promoted stability preventing agglomeration of Pt nanoparticles. The catalyst thus prepared was characterized thoroughly and their catalytic activity was studied in details.}, doi = {10.1088/2053-1591/aa9441}, author = {Das, Subhasis and Bordoloi, Ankur and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43353, title = {Facile synthesis of N-acyl 2-aminobenzothiazoles by NHC-catalyzed direct oxidative amidation of aldehydes}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {1478 - 1481}, abstract = {A mild, general, and high yielding synthesis of N-acyl 2-aminobenzothiazoles has been demonstrated by N-heterocyclic carbene (NHC)-organocatalyzed direct amidation of aldehydes with 2-aminobenzothiazoles proceeding via acyl azolium intermediates. The carbene generated from the triazolium salt under oxidative conditions was the key for the success of this reaction. The method was subsequently applied to the synthesis of various biologically important N-acyl 2-aminobenzothiazoles.}, doi = {10.1039/C6CC08640C}, author = {Premaletha, Sethulekshmi and Ghosh, Arghya and Joseph, Sumi and Reddy, Santhi Vardhan and Biju, Akkattu T.} } @article {43705, title = {Facile synthesis of ZnO-Ag nanocomposite and its photocatalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {MAY}, pages = {Article Number: 055011}, type = {Article}, abstract = {

The evolution of photoactive hybrid materials (e.g. noble metal-semiconductor) has resulted in heterogeneous photocatalysis. We report a facile route for the synthesis of ZnO-Ag nanocomposites with varying percentage of loading of the noble metal, expecting a great boost in the photocatalytic behavior of ZnO. The as prepared material was thoroughly characterized by UV-Vis, FTIR, TEM, FESEM, XRD, XPS analyses. The photocatalytic activities of the nanocomposites have been assessed from the ability to degrade methylene blue dye in aqueous solution. The results suggest that incorporation of Ag nanoparticles on the surface of ZnO particles can enhance catalytic activity in comparison to pure ZnO particles under visible light by minimizing the recombination of photogenerated electron-hole pairs.

}, doi = {10.1088/2053-1591/aa6df1}, author = {Sardar, Debasmita and Maity, Jayeta and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @conference {44037, title = {Fault detection and analysis of Kapton film in fuel cells using image processing}, booktitle = {International Conference on Computing, Analytics and Security Trends, CAST 2016}, year = {2017}, month = {28 April 2017}, abstract = {

Fuel cell is one of the best alternatives of fossil energy in the modern scenario. But still there are some shortcomings such as durability and reliability, which block the wide application of fuel cells. To overcome these barriers, fault diagnosis is an efficient solution. This paper proposes a method for finding dimensional accuracies in Kapton films in membrane electrode assemblies (MEA) of fuel cells using image processing tools for offline fault analysis. {\textcopyright} 2016 IEEE.

}, keywords = {Dimensional accuracy, Fault analysis, fault detection, Fossil energy, fuel cell, Gas fuel purification, image analysis, Image processing, Image processing tools, Kapton films, Membrane electrode assemblies, Offline, polyimides}, isbn = {978-150901338-8}, doi = {10.1109/CAST.2016.7915032}, author = {Firdous, R. and Aherrao, S. and Narute, B. and Borkar, V.} } @article {45717, title = {Fickian yet non-Gaussian behaviour: A dominant role of the intermittent dynamics}, journal = {Journal Of Chemical Physics}, volume = {146}, year = {2017}, month = {APR }, pages = {134504}, type = {Article}, abstract = {

We present a study of the dynamics of small solute particles in a solvent medium where the solute is much smaller in size, mimicking the diffusion of small particles in crowded environment. The solute exhibits Fickian diffusion arising from non-Gaussian Van Hove correlation function. Our study shows that there are at least two possible origins of this non-Gaussian behaviour: the decoupling of the solute-solvent dynamics and the intermittency in the solute motion, the latter playing a dominant role. In the former scenario when averaged over time long enough to explore different solvent environments, the dynamics recovers the Gaussian nature. In the case of intermittent dynamics the non-Gaussianity remains even after long averaging and the Gaussian behaviour is obtained at a much longer time. Our study further shows that only for an intermediate attractive solute-solvent interaction the dynamics of the solute is intermittent. The intermittency disappears for weaker or stronger attractions. Published by AIP Publishing.

}, issn = {0021-9606}, doi = {10.1063/1.4979338}, author = {Acharya, Sayantan and Nandi, Ujjwal Kumar and Bhattacharyya, Sarika Maitra} } @article {43341, title = {Flexible epoxy novolac coatings: use of cardanol-based flexibilizers}, journal = {Journal of Applied Polymer Science}, year = {2017}, month = {FEB}, abstract = {Flexible epoxy novolac coatings were developed by reacting an epoxy novolac resin, Poly[(phenylglycidyl ether)-co-formaldehyde] (PPGEF) with an amine curing agent, 4,4'-diamino-3,3'-dimethyldicyclohexyl methane (BMCHA), cardanol based reactive diluent (Cardolite NC-513) and two different cardanol-based flexibilizers (Cardolite NC-514 and Cardolite NC-547). The flexibilizer content was varied from 5 to 10\% by weight of the resin. These resins were coated onto the stainless steel panels and tested for their gloss, cross-hatch adhesion, falling weight impact resistance, flexibility, abrasion, scratch hardness, solvent scrub resistance, and chemical resistance. The thermo-mechanical properties of these coatings were determined by TGA, DSC, DMTA, and tensile strength measurements. The cryofractured specimens were subjected to SEM analysis. The influence of structural differences of two flexibilizers on the coating properties was investigated. These coatings exhibited excellent properties and have great potential in industrial applications. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44920.}, doi = {10.1002/app.44920}, author = {Gour, Rajeshwari S. and Raut, Kundalik G. and Badiger, Manohar V.} } @article {42948, title = {From lignocellulosic biomass to furfural: insight into the active species of a silica-supported tungsten oxide catalyst}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {JUL}, pages = {2709-2716}, type = {Article}, abstract = {

A sol{\textendash}gel-synthesized silica-supported tungsten oxide catalyst that has Lewis acidity was characterized and employed as a solid acid catalyst in the synthesis of furfural directly from lignocellulosic biomass (isolated xylans and crop wastes). In a one-pot method, 71 \% furfural formation from isolated xylan was possible using a water/toluene (1:2 v/v) biphasic solvent system at 170 {\textdegree}C after 10 h over 10 wt \% WO3/SiO2. The WO3/SiO2 catalyst in the selective conversion of pentosan from crop wastes (bagasse, wheat straw, and rice husk) yielded 72{\textendash}87 \% furfural under the optimum reaction conditions. Additionally, the catalyst presented excellent recyclability in at least eight runs after simple water washing. From the catalyst characterization studies, it was suggested that silicotungstic-type acid species are anchored on the WO3/SiO2 catalyst that help to achieve a good catalytic activity.

}, doi = {10.1002/cctc.201600784}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @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 {43293, title = {Galvanic replacement-based Cu2O self-templating strategy for the synthesis and application of Cu2O{\textendash}Ag heterostructures and monometallic (Ag) and bimetallic (Au{\textendash}Ag) hollow mesocages}, journal = {Crystengcomm}, volume = {19}, year = {2017}, month = {FEB}, pages = {1669-1679}, type = {Journal Article}, abstract = {Polyhedral Cu2O microparticles as self-templates have been well-demonstrated for the synthesis of Cu2O{\textendash}M heterostructures (M = Au, Pd, Pt) and Au nano/mesocages utilizing the galvanic replacement reaction (GRR) strategy. However, reports on GRR-based fabrication of Cu2O{\textendash}Ag heterostructures and the ensuing Ag mesocages are scanty. There is no report that describes the phenomenon of facet selectivity during the GRR-based deposition of Ag on Cu2O template particles. Here, we have identified the underlying rationale behind the observed difficulty in nucleating Ag nanoparticles on an octahedral Cu2O self-template particle. Utilization of an appropriately chosen surfactant/complexant for the silver precursor helps in demonstrating the successful fabrication of Cu2O{\textendash}Ag heterostructures (octahedral, cubic) with a tunable loading density of Ag NPs on the Cu2O surfaces. This is achieved using Cu2O template particles that undergo GRR with silver nitrate in the presence of nitric acid, and 5-sulfosalicylic acid as the surfactant (key role players). We provide evidence that supports facet selectivity during the deposition of Ag NPs on Cu2O cuboctahedral particles. Hollow octahedral Ag and Au{\textendash}Ag bimetallic mesocages are fabricated that have rough surfaces, uniform morphology, and excellent shape retention. The fabricated heterostructures and mesocages act as an excellent SERS substrate. This is the first report on the rational synthesis of octahedral Cu2O{\textendash}Ag heterostructures and octahedral hollow metallic mesocages utilizing the Cu2O self-templating strategy along with the demonstration of facet selectivity of Ag deposition on Cu2O template particles through GRR. The current approach offers a facile and versatile protocol for the synthesis of Cu2O{\textendash}metal heterostructures and hollow noble metal mesocages.}, issn = {1466-8033}, doi = {10.1039/C7CE00110J}, author = {Bakthavatsalam, Rangarajan and Kundu, Janardan} } @inbook {45818, title = {Genetically engineered crops: Opportunities, constraints, and food security at a glance of human health, environmental impact, and food quality}, booktitle = {Genetically Engineered Foods}, volume = {6}, year = {2017}, pages = {311-334}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, edition = {1st}, chapter = {Genetically engineered crops: Opportunities, constraints, and food security at a glance of human health, environmental impact}, address = {Singapore}, abstract = {

Genetic modification (GM) is an incredible technology and it will be among the top 10 technologies developed in the 20th century. People believe that GM technology will answer the future food demand and enable the world to feed millions of people; however, there are apprehensions about the impact of GM crops on human health, the environment, and food quality. Due to the controversy over GM crops, it is important to think about their economic and social effects. GM plants are likely to have increased nutrient levels, produce pharmaceuticals, and show resistance to disease, cold, and drought, and thus increase food security. Conversely, they may also lead to the emergence of new allergens. When thinking about food quality, these crops have the ability to generate more nutritious varieties, which may be of benefit to malnourished populations. However, with the exception of Golden Rice (which was developed to face vitamin A deficiency) achievements in this field are a long way off. These crops also have the potential to have a positive environmental impact as herbicide-tolerant plants can be cultivated on all types of land; however, this also brings about the possibility of generating herbicide-resistant weeds. Overall, GM crops can increase incomes for farmers and aid in drug production; however, care should be taken before releasing GM crops into the environment because once they are planted there will be no turning back.

}, isbn = {978-0-12-811519-0}, doi = {10.1016/B978-0-12-811519-0.00012-1}, author = {Dawkar, V.V. and , Chougale, A.D., and Barvkar, V.,} } @article {45682, title = {Genomic and functional characterization of coleopteran insect-specific alpha-amylase inhibitor gene from amaranthus species}, journal = {Plant Molecular Biology}, volume = { 94 }, year = {2017}, month = {JUN}, pages = {319-332}, type = {Article}, abstract = {The smallest 32 amino acid alpha-amylase inhibitor from Amaranthus hypochondriacus (AAI) is reported. The complete gene of pre-protein (AhAI) encoding a 26 amino acid (aa) signal peptide followed by the 43 aa region and the previously identified 32 aa peptide was cloned successfully. Three cysteine residues and one disulfide bond conserved within known alpha-amylase inhibitors were present in AhAI. Identical genomic and open reading frame was found to be present in close relatives of A. hypochondriacus namely Amaranthus paniculatus, Achyranthes aspera and Celosia argentea. Interestingly, the 3{\textquoteright}UTR of AhAI varied in these species. The highest expression of AhAI was observed in A. hypochondriacus inflorescence; however, it was not detected in the seed. We hypothesized that the inhibitor expressed in leaves and inflorescence might be transported to the seeds. Sub-cellular localization studies clearly indicated the involvement of AhAI signal peptide in extracellular secretion. Full length rAhAI showed differential inhibition against alpha-amylases from human, insects, fungi and bacteria. Particularly, alpha-amylases from Helicoverpa armigera (Lepidoptera) were not inhibited by AhAI while Tribolium castaneum and Callosobruchus chinensis (Coleoptera) alpha-amylases were completely inhibited. Molecular docking of AhAI revealed tighter interactions with active site residues of T. castaneum alpha-amylase compared to C. chinensis alpha-amylase, which could be the rationale behind the disparity in their IC50. Normal growth, development and adult emergence of C. chinensis were hampered after feeding on rAhAI. Altogether, the ability of AhAI to affect the growth of C. chinensis demonstrated its potential as an efficient bio-control agent, especially against stored grain pests.}, doi = {10.1007/s11103-017-0609-5}, author = {Bhide, Amey J. and Channale, Sonal M. and Yadav, Yashpal and Bhattacharjee, Kabita and Pawar, Pankaj K. and Maheshwari, V. L. and Gupta, Vidya S. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @article {43543, title = {Glycation inhibitors extend yeast chronological lifespan by reducing advanced glycation end products and by back regulation of proteins involved in mitochondrial respiration}, journal = {Journal of Proteomics}, volume = {156}, year = {2017}, month = {MAR}, pages = {104-112}, abstract = {Advanced Glycation End products (AGEs) are implicated in aging process. Thus, reducing AGEs by using glycation inhibitors may help in attenuating the aging process. In this study using Saccharomyces cerevisiae yeast system, we show that Aminoguanidine (AMG), a well-known glycation inhibitor, decreases the AGE modification of proteins in non-calorie restriction (NR) (2\% glucose) and extends chronological lifespan (CLS) similar to that of calorie restriction (CR) condition (0.5\% glucose). Proteomic analysis revealed that AMG back regulates the expression of differentially expressed proteins especially those involved in mitochondrial respiration in NR condition, suggesting that it switches metabolism from fermentation to respiration, mimicking CR. AMG induced back regulation of differentially expressed proteins could be possibly due to its chemical effect or indirectly by glycation inhibition. To delineate this, Metformin (MET), a structural analog of AMG and a mild glycation inhibitor and Hydralazine (HYD), another potent glycation inhibitor but not structural analog of AMG were used. HYD was more effective than MET in mimicking AMG suggesting that glycation inhibition was responsible for restoration of differentially expressed proteins. Thus glycation inhibitors particularly AMG, HYD and MET extend yeast CLS by reducing AGEs, modulating the expression of proteins involved in mitochondrial respiration and possibly by scavenging glucose. Significance: This study reports the role of glycation in aging process. In the non-caloric restriction condition, carbohydrates such as glucose promote protein glycation and reduce CLS. While, the inhibitors of glycation such as AMC, HYD, MET mimic the caloric restriction condition by back regulating deregulated proteins involved in mitochondria( respiration which could facilitate shift of metabolism from fermentation to respiration and extend yeast CLS. These findings suggest that glycation inhibitors can be potential molecules that can be used in management of aging. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.01.015}, author = {Kazi, Rubina S. and Banarjee, Reema M. and Deshmukh, Arati B. and Patil, Gouri V. and Jagadeeshaprasad, Mashanipalya G. and Kulkarni, Mahesh J.} } @article {43865, title = {Glycoprotein alpha-amylase inhibitor from Withania somnifera differentially inhibits various alpha-amylases and affects the growth and development of Tribolium castaneum}, journal = {PEST Management Science}, volume = {73}, year = {2017}, month = {JUL}, pages = {1382-1390}, type = {Article}, abstract = {

BACKGROUND: Identification and characterisation of plant defensive molecules enrich our resources to design crop protection strategies. In particular, plant-derived proteinaceous inhibitor(s) of insect digestive enzymes appear to be a safe, sustainable and attractive option. RESULTS: A glycoprotein having non-competitive alpha-amylase inhibitory activity with a molecular weight of 8.3 kDa was isolated and purified from seeds of Withania somnifera alpha-amylase inhibitor (WSAI). Its mass spectrometry analysis revealed 59\% sequence coverage with Wrightide II-type alpha-amylase inhibitor from Wrightia religiosa. A dose-dependent inhibition of alpha-amylases from Aspergillus oryzae, Bacillus subtilis, Helicoverpa armigera and Tribolium castaneumwas recorded. Interestingly, WSAI did not inhibit human salivary alpha-amylase significantly. When adults of T. castaneum were fed with WSAI (1.6mg g(-1)), decrease inconsumption, growthandefficiency of conversion of ingested foodwas evident, along withover fourfold increases in feedingdeterrence index. Adecline inlarval residual alpha-amylase activity after feedingofWSAI resulted ina reduction in longevity of T. castaneum. CONCLUSION: The study reflects the significance of WSAI in affecting the overall growth and development of T. castaneum. Pre-and post-harvest pest resistive capability makes WSAI a potential candidate for insect pest management. Further, the effectiveness of this inhibitor could be explored either in formulations or through a transgenic approach. (C) 2016 Society of Chemical Industry

}, doi = {10.1002/ps.4467}, author = {Kasar, Sainath S. and Marathe, Kiran R. and Bhide, Amey J. and Herwade, Abhijeet P. and Giri, Ashok P. and Maheshwari, Vijay L. and Pawar, Pankaj K.} } @article {43509, title = {Helical preorganization of molecules drives solid-state intermolecular acyl-transfer reactivity in crystals: structures and reactivity studies of solvates of racemic 2,6-Di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {JAN}, pages = {117-126}, abstract = {Racemic 2,6-di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate yielded structurally dissimilar solvent-free and solvated crystals depending upon the solvent of crystallization. The solvated crystals exhibited helical assembly of host molecules, due to the interaction of the guest molecules with the orthoformate moiety of the host. Some of the solvates showed specific but incomplete benzoyl group transfer reactivity below the phase transition temperature, whereas the reaction in solvent-free crystals led to a mixture of several products. These results reveal the necessity of helical molecular packing of the reacting molecules in their crystals to facilitate specific intermolecular acyl transfer reactivity. The crystal, structures of the fluorobenzoate solvates were similar to those of the solvates of the analogous chloro and bromobenzoates. The latter could be thermally :transformed into their solvent-free form via melt crystallization, resulting in the conversion of a helical molecular packing into a nonhelical molecular packing.}, doi = {10.1021/acs.cgd.6b01322}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article {45649, title = {Heteroatom facilitated preparation of electrodes for sodium ion batteries}, journal = {RSC Advances}, volume = { 7 }, year = {2017}, month = {JUL}, pages = {12659-12662}, type = {Article}, abstract = {

A conjugated polymer comprising heterocycles was prepared and carbonized to obtain carbon with interlayer spacings between 0.42 and 0.37 nm and exhibited a specific capacity of 250 mA h g(-1).

}, doi = {10.1039/c6ra27662h}, author = {Bhosale, Manik E. and Banerjee, Abhik and Krishnamoorthy, Kothandam} } @article {43988, title = {High quality hybrid perovskite semiconductor thin films with remarkably enhanced luminescence and defect suppression via quaternary alkyl ammonium salt based treatment}, journal = {Advanced Materials Interfaces}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Significant enhancement in the luminescence and superior photophysical properties of CH3NH3PbBr3 thin films prepared via simple single step spin coating process involving a novel additive mediated solvent extraction step is reported. This process results in significantly lower disorder in CH3NH3PbBr3 perovskites with Urbach energies reducing from ≈35 to ≈17 meV, which is the lowest reported value to date. The additive mediated process also results in a remarkable improvement in the photoluminescence quantum yields (PLQYs) from 1\% to 30\%. Coupled with the overall increase in surface roughness, a significant increase in the internal PLQY from 7\% to 77\% is estimated, indicating the superior quality of the treated thin films. The resultant high quality CH3NH3PbBr3 perovskites with remarkable photophysical properties can be used in realizing highly efficient optoelectronic devices. Highly efficient light emitting diodes using these perovskites are demonstrated here.}, doi = {10.1002/admi.201700562}, author = {Naphade, Rounak A. and Zhao, Baodan and Richter, Johannes M. and Booker, Edward and Krishnamurthy, Shrreya and Friend, Richard H. and Sadhanala, Aditya and Ogale, Satishchandra B.} } @article {44130, title = {High-level supercapacitive performance of chemically reduced graphene oxide}, journal = {Chem}, volume = {3}, year = {2017}, month = {NOV}, pages = {846-860}, type = {Article}, abstract = {Reduction of graphene oxide (GO) is an important process because it holds promise for the production of reduced graphene oxide (rGO) with physicochemical properties similar to those of pristine graphene. In conventional chemical reduction, strong reducing agents, such as sodium borohydride and hydrazine, cannot be recycled. Also, fast reaction kinetics bring an imbalance in the desirable properties of rGO. Here, we present one-pot chemical reduction of GO in aqueous medium by an unconventional mild reducing agent (FeCl2/HCl) where rGOis isolated as the precipitate and the reducing agent is recycled upon simple treatment of the filtrate with HCl. The fabricated all-solid-state supercapacitors of as-synthesized rGO exhibited significantly higher specific capacitance than those obtained with rGO derived from conventional reducing agents. The cycling stability of the all-solid-state supercapacitor (> 80\% retention of capacitance beyond 100,000 continued cycles) and its flexibility (> 500 bending cycles) were remarkable. Use of commercially available organic electrolyte further boosted the supercapacitor performance.}, doi = {10.1016/j.chempr.2017.08.011}, author = {Jha, Plawan Kumar and Singh, Santosh Kumar and Kumar, Vikash and Rana, Shammi and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {43881, title = {High-throughput mass spectrometry analysis revealed a role for glucosamine in potentiating recovery following desiccation stress in chironomus}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {JUN}, pages = {Article Number: 3659}, type = {Article}, abstract = {Desiccation tolerance is an essential survival trait, especially in tropical aquatic organisms that are vulnerable to severe challenges posed by hydroperiodicity patterns in their habitats, characterized by dehydration-rehydration cycles. Here, we report a novel role for glucosamine as a desiccation stress-responsive metabolite in the underexplored tropical aquatic midge, Chironomus ramosus. Using high-throughput liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QToF-MS) analysis, biochemical assays and gene expression studies, we confirmed that glucosamine was essential during the recovery phase in C. ramosus larvae. Additionally, we demonstrated that trehalose, a known stress-protectant was crucial during desiccation but did not offer any advantage to the larvae during recovery. Based on our findings, we emphasise on the collaborative interplay of glucosamine and trehalose in conferring overall resilience to desiccation stress and propose the involvement of the trehalose-chitin metabolic interface in insects as one of the stress-management strategies to potentiate recovery post desiccation through recruitment of glucosamine.}, doi = {10.1038/s41598-017-03572-5}, author = {Thorat, Leena and Oulkar, Dasharath and Banerjee, Kaushik and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article {45695, title = {Hyaluronic acid layered chimeric nanoparticles: targeting MAPK-P13K signaling hub in colon cancer cells}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {NOV}, pages = {7868-7880}, type = {Article}, abstract = {

Colon cancer has emerged as one of the most devastating diseases in the whole world. Mitogen-activated protein kinase (MAPK)-phosphatidylinsitol-3-kinase (PI3K) signaling hub has gained lots of attention due to its deregulation in colon cancer cells. However, selective targeting of oncogenic MAPK-PI3K hub in colon cancer has remained highly challenging, hence it has mostly been unexplored. To address this, we have engineered a hyaluronic acid layered lipid-based chimeric nanoparticle (HA-CNP) consisting of AZD6244 (MAPK inhibitor), PI103 (PI3K inhibitor), and cisplatin (DNA impairing drug) ratiometrically in a single particle. Electron microscopy (field emission scanning electron microscopy and atomic force microscopy) and dynamic light scattering were utilized to characterize the size, shape, morphology, and surface charge of the HA-CNPs. Fluorescent confocal laser scanning microscopy and flow cytometry analysis confirmed that HA-CNPs were taken up by HCT-116 colon cancer cells by merging of clathrin and CD44 receptor-mediated endocytosis along with macropinocytosis to home into acidic organelles (lysosomes) within 1 h. A gel electrophoresis study evidently established that HA-CNPs simultaneously inhibited MAPK-PI3K signaling hub with DNA damage in HCT-116 cells. These HA-CNPs stalled the cell cycle into G0/G1 phase, leading to induction of apoptosis (early and late) in colon cancer cells. Finally, these HA-CNPs exerted remarkable cytotoxicity in HCT-116 colon cancer cells at 24 h compared to that of the free triple drug cocktail as well as HA-coated dual drug-loaded nanoparticles without showing any cell death in healthy L929 fibroblast cells. These HA-coated CNPs have potential to be translated into clinics as a novel platform to perturb various oncogenic signaling hubs concomitantly toward next-generation targeted colon cancer therapy.

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01315}, author = {Palvai, Sandeep and Kuman, Meenu Mahesh and Sengupta, Poulonu and Basu, Sudipta} } @article {43264, title = {Hybrids of thienopyrimidinones and thiouracils as anti-tubercular agents: SAR and docking studies}, journal = {European Journal of Medicinal Chemistry}, volume = {127}, year = {2017}, month = {JAN}, abstract = {

A number of hybrid molecules containing thienopyrimidinones and thiouracil moieties were designed, synthesized and tested against Mycobacterium tuberculosis H37Ra wherein it was observed that the compounds 11-1514 exhibited antitubercular activity in vitro (MIC 7.6{\textendash}19.1 μg/ml, 12{\textendash}35 μM) against dormant stage while compound 15 exhibited antitubercular activity in vitro against dormant (MIC 23.4 μg/ml, 41 μM) as well as active (MIC 25.4 μg/ml, 45 μM) stage. Structural modifications of compound 15 were carried out to study the structure-activity relationship and it was observed that compound 18 exhibited antitubercular activity comparable to compound 15. Cytotoxicity studies revealed that these molecules were non-toxic. The docking study of compound 15 showed that there was binding with the active site of mycobacterial pantothenate synthetase. Further docking studies led to the synthesis of the compounds 16 and 17 and the antitubercular activity screening results showed that these compounds have significant antitubercular activity. The compounds 15-18 (MIC 11{\textendash}29 μg/ml, 19{\textendash}51 μM) can be used as starting points for further optimization. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures and the present results will be very useful in the development of a new class of antimycobacterial agents.

}, doi = {10.1016/j.ejmech.2017.01.009}, author = {Pisal, Mahesh M. and Nawale, Laxman U. and Patil, Manoj and Bhansali, Sujit G. and Gajbhiye, Jayant M. and Sarkar, Dhiman and Chavan, Subhash P. and Borate, Hanumant B.} } @article {45662, title = {Hydrogenolysis of sorbitol over Ni, Pt and Ru supported on SBA-15}, journal = {Indian Journal of Chemistry. Section A: Inorganic, Physical, Theoretical \& Analytical Chemistry}, volume = {56 }, year = {2017}, month = {FEB}, pages = {226-231}, type = {Article}, abstract = {Hydrogenolysis of sorbitol (15\% aqueous solution) has been carried out in a batch reactor over Ni (6 wt\%), Pt (1 wt\%) and Ru (1 wt\%) supported on SBA-15 and carbon coated SBA-15 (SBA-15(C)). For comparison, the three metals have also been supported on activated carbon (AC). The catalysts are characterized by XRD, N-2 and H-2 adsorption measurements. Addition of Ca(OH)(2) to the reaction mixture increases conversion and selectivity for the dihydroxy compounds, 1,2-propanediol (PD) and ethylene glycol (EG). Based on yield of dihydric alcohols (PD+EG), the performance of the catalysts at 220 degrees C and 60 bar in the presence of Ca(OH)(2) is in the order: Ru-AC similar to Ru-SBA-15(C) > Ru-SBA-15 similar to Ni-SBA-15, the yields being 40, 39, 31 and 29 wt\%, respectively.}, url = {http://nopr.niscair.res.in/handle/123456789/40903}, author = {Banu, M. and Sankaranarayanan, T. M. and Venuvanalingam, P. and Magesh, G. and Sivasanker, S.} } @article {43826, title = {Identification of new anti-inflammatory agents based on nitrosporeusine natural products of marine origin}, journal = {European Journal of Medicinal Chemistry}, volume = {135}, year = {2017}, month = {JUL}, pages = {89-109}, type = {Article}, abstract = {Nitrosporeusines A and B are two recently isolated marine natural products with novel skeleton and exceptional biological profile. Interesting antiviral activity of nitrosporeusines and promising potential in curing various diseases, evident from positive data from various animal models, led us to investigate their anti-inflammatory potential. Accordingly, we planned and synthesized nitrosporeusines A and B in racemic as well as enantiopure forms. The natural product synthesis was followed by preparation of several analogues, and all the synthesized compounds were evaluated for in vitro and in vivo anti-inflammatory potential. Among them, compounds 25, 29 and 40 significantly reduced levels of nitric oxide (NO), reactive oxygen species (ROS) and pro-inflammatory cytokines. In addition, these compounds suppressed several pro-inflammatory mediators including inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), nuclear factor-kappa B (NF -kappa B), and thereby can be emerged as potent anti-inflammatory compounds. Furthermore, all possible isomers of lead compound 25 were synthesized, characterized and profiled in same set of assays and found that one of the enantiomer (-)-25a was superior among them. (C) 2017 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2017.04.015}, author = {Philkhana, Satish Chandra and Verma, Abhishek Kumar and Jachak, Gorakhnath R. and Hazra, Bibhabasu and Basu, Anirban and Reddy, D. Srinivasa} } @conference {45754, title = {Implementation of QbD for development of a downstream process for a therapeutic biosimilar}, booktitle = {253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes}, year = {2017}, month = {APR }, publisher = {AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, organization = {AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, address = {San Francisco, CA}, author = {Rathore, Anurag and Bhambure, Rahul} } @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 {44401, title = {In situ grown nickel nanoparticles in a calixarene nanoreactor on a graphene-MoS2 support for efficient water electrolysis}, journal = {Sustainable Energy \& Fuels}, volume = {1}, year = {2017}, month = {AUG}, pages = {1329-1338}, abstract = {Electrochemical production of hydrogen, facilitated in electrolysers, holds great promise for energy storage and solar fuel production. Catalysis of the oxygen evolution reaction (OER) is a bottleneck of this process. However, the sluggish OER kinetics and the utilization of precious metal catalysts are key obstacles in the broad deployment of this energy technology. We report the preparation and use of an inexpensive GrMoS(2)SC(8)Ni nanocomposite material as a highly effective OER catalyst in an alkaline electrolyte. Experimental investigations have shown that improvements can be realized in the catalytic performance of Ni metal if it is a component of the composite material. We propose an explanation for these enhancements based on a hydrogen acceptor concept. This concept comprises the stabilization of an *-OOH intermediate, which effectively lowers the potential needed for breaking bonds on the surface. Herein, an inexpensive immobilized SC8 layer was used as the nanoreactor to synthesize metallic Ni nanoparticles (NPs) through an in situ redox process. The process was applied to form immobilized NPs on flat and curved 2D surfaces. The outstanding OER performance of Ni NPs could be attributed to their large surface area, efficient mass and charge transport, and high structural stability arising from the unique SC8 cage structure, built on the GrMoS(2) substrate. The GrMoS(2)SC(8)Ni nanocomposite shows the highest activity, exhibiting a 214 mV overpotential at 10 mA cm(-2) (equivalent to 10\% efficiency of solarto-fuel conversion) and a Tafel slope of 31 mV dec(-1) in 1 M KOH solution. It further demonstrates high stability as there is no apparent OER activity loss (based on a chronoamperometry test) or particle aggregation (based on SEM image observation) after a 10 h anodization test. The facile preparation method and high efficiency and durability enable this electrocatalyst to be a promising candidate for future large-scale applications in water splitting. Thus, this work opens a new avenue toward the development of highly efficient, inexpensive OER catalysts.}, doi = {10.1039/c7se00190h}, author = {Waghmode, Babasaheb J. and Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article {43777, title = {Interaction energy driven biased sampling technique: a faster route to ionization spectra in condensed phase}, journal = {Journal of Computational Chemistry}, volume = {38}, year = {2017}, month = {OCT}, pages = {2248-2257}, abstract = {We introduce a computationally efficient approach for calculating spectroscopic properties, such as ionization energies (IEs) in the condensed phase. Discrete quantum mechanical/molecular mechanical (QM/MM) approaches for spectroscopic properties in a dynamic system, such as aqueous solution, need a large sample space to obtain converged estimates, especially for the cases where particle (electron) number is not conserved, such as IEs or electron affinities (EAs). We devise a biased sampling technique based on an approximate estimate of interaction energy between the solute and solvent, that accelerates the convergence and therefore, reduces the computational cost significantly. The approximate interaction energy also provides a good measure of the spectral width of the chromophores in the condensed phase. This technique has been tested and benchmarked for (i) phenol, (ii) HBDI anion (hydroxybenzylidene dimethyl imidazolinone), and (iii) thymine in water. (c) 2017 Wiley Periodicals, Inc.}, doi = {10.1002/jcc.24875}, author = {Bose, Samik and Ghosh, Debashree} } @article {43741, title = {Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {APR}, pages = {3705-3708}, type = {Article}, abstract = {The remarkable effect of anions on the transition from supramolecular gels to crystalline phases has been described. An amino acid-based metallohydrogel was transformed into different metal-organic frameworks through the selective picking of anions. The metallohydrogel and the resulting metal-organic frameworks (MOFs) were thoroughly characterized. The results demonstrated controlled access over the binding of a particular anion to selectively form a particular MOF.}, doi = {10.1039/c7cc00539c}, author = {Karak, Suvendu and Kumar, Sushil and Bera, Saibal and Diaz Diaz, David and Banerjee, Subhrashis and Vanka, Kumar and Banerjee, Rahul} } @article {43797, title = {Intramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {AUG}, pages = {9081-9084}, type = {Article}, abstract = {A visible-light-promoted merged gold/photoredox catalyzed ipsoarylative cyclization has been reported. For instance, the reaction of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts in the presence of catalytic amounts of [(4-OCH3)C6H4](3)PAuCl and Ru(bpy)(3)(PF6)(2) under irradiation using a 32WCFL bulb gave arylated spirocarbocycles in moderate to good yields.}, doi = {10.1039/c7cc04010e}, author = {Bansode, Avinash H. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @article {44112, title = {Introducing the bipolar solvent media using the aqueous mixtures of amino acid anion-based ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {DEC}, pages = {11367-11375}, type = {Article}, abstract = {To carry out a chemical reaction between the reactants with largely different polarities, it becomes important to have a reaction medium that possesses both the polar and nonpolar solvation environments. In an attempt to explore the reaction media with such unique polarity properties, the present study provides a thorough understanding of the bipolar solvent media using the aqueous mixtures of amino acid anion-based ionic liquids. The highly polar behavior of the binary mixtures used in the study has been ascribed to the pure ionic liquid state. However, the less polar solvation shells have been attributed to the presence of a neutral form of the anions. Addition of water in the amino acid anion-based ionic liquids causes the protonation of a certain fraction of the anions of the ionic liquids, resulting into the formation of a less polar nonionic protonated form along with the highly polar natural anionic form. This results into the formation of two solvation spheres with different polarities, which can be seen very clearly from the presence of two absorption bands (lower wavelength absorption band and higher wavelength absorption band) in the UV-vis absorption spectrum of Reichardt{\textquoteright}s E-T(30) dye and two emission bands (lower wavelength emission band and higher wavelength emission band) in the fluorescence emission spectrum of C481 dye. The values of the E-T(N) polarity parameter corresponding to the two solvation shells having different polarities have been calculated from the deconvoluted absorption spectra of the Reichardt{\textquoteright}s E-T(30) and were analyzed in three amino acid anion-based ionic liquids. Generation of the neutral form of anions in the aqueous mixtures formed via a protonation transfer reaction has been confirmed by the H-1 NMR spectroscopy and UV-vis absorption spectrum of 18DHAQ dye. The study also establishes that the Reichardt{\textquoteright}s E-T(30) dye can be used as a valid polarity probe to study the solvatochromic behavior of the binary mixtures of amino acid-based ionic liquids.}, doi = {10.1021/acs.jpcb.7b08240}, author = {Beniwal, Vijay and Kumar, Anil} } @article {44402, title = {Iron-based nanocatalyst for the acceptorless dehydrogenation reactions}, journal = {Nature Communications}, volume = {8}, year = {2017}, month = {DEC}, pages = {Article Number: 2147}, abstract = {Development of sustainable catalytic systems for fundamentally important synthetic transformations and energy storage applications is an intellectually stimulating challenge. Catalytic dehydrogenation of feedstock chemicals, such as alcohols and amines to value-added products with the concomitant generation of dihydrogen is of much interest in the context of hydrogen economy and is an effective alternative to the classical oxidation reactions. Despite a number of homogeneous catalysts being identified for the acceptorless dehydrogenation, the use of high price and limited availability of precious metals and poor recovery of the catalyst have spurred interest in catalysis with more earth-abundant alternatives, especially iron. However, no report has described a reusable iron-based heterogeneous catalyst for oxidant-free and acceptorless dehydrogenation reactions. Here we replace expensive noble metal catalysts with an inexpensive, benign, and sustainable nanoscale iron catalyst for the efficient acceptorless dehydrogenation of N-heterocycles and alcohols with liberation of hydrogen gas.}, doi = {10.1038/s41467-017-01603-3}, author = {Jaiswal, Garima and Landge, Vinod G. and Jagadeesan, Dinesh and Balaraman, Ekambaram} } @article {43811, title = {Iron-catalyzed dehydrogenation reactions and their applications in sustainable energy and catalysis}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {AUG}, pages = {3177-3195}, type = {Article}, abstract = {Inspired by nature, chemists have designed new catalysts in the pursuit of selective bond activation and chemical transformations. Emergent biological systems often use earth-abundant first-row transition elements as catalytically active sites to facilitate specific and highly selective chemical processes. The design of a new catalytic system based on abundant and inexpensive catalysts, particularly the iron-based catalysts, for fundamentally significant synthetic transformations under environmentally benign conditions is an important paradigm in chemical synthesis. In recent times, iron-based catalytic systems have shown unprecedented reactivity in the acceptorless dehydrogenation reactions of feedstock chemicals, with the liberation of molecular hydrogen as the by-product, and have enabled greener chemical synthetic methods and alternative energy storage systems. Indeed, it has been demonstrated that the proper design of iron catalysts by judiciously choosing ligands, can aid in the development of new sustainable energy storage systems and catalysis. This tutorial review focuses on the recent development of iron-based dehydrogenation reactions of fundamentally important feedstock, as a route to sustainable chemical synthesis and energy storage applications. The emerging area of the iron-based dehydrogenation strategy provides an opportunity to make industrially applicable, cost-effective and environmentally benign catalytic systems.}, doi = {10.1039/c7cy00879a}, author = {Balaraman, Ekambaram and Nandakumar, Avanashiappan and Jaiswal, Garima and Sahoo, Manoj K.} } @article {45687, title = {Kinetics and thermodynamics of transpeptidation catalysed by Bacillus subtilis gamma glutamyl transferase}, journal = {Indian Journal of Biochemistry and Biophysics }, volume = {54 }, year = {2017}, month = {JUN}, pages = {109-113}, type = {Article}, abstract = {Gamma glutamyl transferases (GGT) catalyse the removal (deglutamylation) of the terminal gamma-glutamate residue from compounds such as glutathione and poly-gamma-glutamic acid and its transfer either to a water molecule (hydrolysis) or to a peptide/amino acid (transpeptidation). We analysed the kinetics of Bacillus subtilis GGT (BsGGT) catalysed transpeptidation using gamma-glutamyl-(3-carboxyl)-4-nitroaniline as the gamma-glutamate-donor and glycylglycine (Gly-Gly) as the gamma-glutamate acceptor. Addition of Gly-Gly improved the affinity (Km) of the enzyme for gamma-glutamyl-(3-carboxyl)-4-nitroaniline by nearly 25 times with negligible impact on the rate of deglutamylation (V-max). The asymmetric changes in the kinetic parameters improved the specificity constant (K-cat/K-m.) by about 43 times. BsGGT catalysed transpeptidation was pronounced in conditions that are unfavorable for hydrolysis. Maximum transpeptidation occurred near neutral pH and when the concentration of the gamma-glutamate-donor substrate is lower. The effect of Gly-Gly on the kinetics of BsGGT is contrastingly different from that observed for eukaryotic GGTs. In the case of mammalian GGTs, the addition of Gly-Gly increases both Km and k(cat); and, the specificity constant (K-cat/K-m) remains unaltered}, author = {Balakrishna, Sharath and Prabhune, Asmita A.} } @article {44171, title = {Linking catalyst-coated isotropic colloids into {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} flexible chains enhances their diffusivity}, journal = {ACS Nano}, volume = {11}, year = {2017}, month = {OCT}, pages = {10025-10031}, type = {Article}, abstract = {Active colloids are not constrained by equilibrium: ballistic propulsion, superdiffusive behavior, or enhanced diffusivities have been reported for active Janus particles. At high concentrations, interactions between active colloids give rise to complex emergent behavior. Their collective dynamics result in the formation of several hundred particle-strong flocks or swarms. Here, we demonstrate significant diffusivity enhancement for colloidal objects that neither have a Janus architecture nor are at high concentrations. We employ uniformly catalyst-coated, viz. chemo-mechanically, isotropic colloids and link them into a chain to enforce proximity. Activity arises from hydrodynamic interactions between enchained colloidal beads due to reaction-induced phoretic flows catalyzed by platinum nanoparticles on the colloid surface. This results in diffusivity enhancements of up to 60\% for individual chains in dilute solution. Chains with increasing flexibility exhibit higher diffusivities. Simulations accounting for hydrodynamic interactions between enchained colloids due to active phoretic flows accurately capture the experimental diffusivity. These simulations reveal that the enhancement in diffusivity can be attributed to the interplay between chain conformational fluctuations and activity. Our results show that activity can be used to systematically modulate the mobility of soft slender bodies.}, keywords = {active matter, Brownian motion, colloidal assembly, diffusivity, ice templating}, issn = {1936-0851}, doi = {10.1021/acsnano.7b04265}, author = {Biswas, Bipul and Manna, Raj Kumar and Laskar, Abhrajit and Kumar, P. B. Sunil and Adhikari, Ronojoy and Kumaraswamy, Guruswamy} } @article {44120, title = {Ln(8) (Ln = Gd, Ho, Er, Yb) Butterfly core-exhibiting magnetocaloric effect and field-induced SMM behavior for Er analouge}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {DEC}, pages = {11341-11345}, type = {Article}, abstract = {

In this article, we report four pyridyl-pyrazolyl based poly-nuclear cluster complexes with Ln(8) {Ln = [Gd-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](DMF)(2)(MeOH)(1), [Ho-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](2), [Er-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](DMF)(MeOH)(H2O)(3), [Yb-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](DMF)(MeOH)(4) [DEA = Diethanolamine] cores. The impetus for this study was to explore the magnetic behaviour of lanthanide ions which are often ignored or overlooked. X-ray crystal analysis show that these complexes are isostructural and exhibit an interesting butterfly like topology. The semi-rigidity and asymmetric nature of the ligand led to different coordination environment around the metal centres. The lanthanide ions adopt two types of geometry, a bicapped trigonal prism and a distorted square antiprismatic geometry around the metal center. Such dissimilar coordination environments around the lanthanide centre can have profound effects on their magnetic behaviour. Indeed, the magnetic measurements revealed significant magnetocaloric effect for octanuclear gadolinium complex 1 with magnetic entropy change (-Delta S-m ) of 31.4 J kg(-1) K-1 for Delta H = 9 T at T = 3 K whereas Er analogue complex 3 displayed SMM behavior.

}, doi = {10.1002/slct.201701905}, author = {Bala, Sukhen and Adhikary, Amit and Bhattacharya, Sudeshna and Sen Bishwas, Mousumi and Poddar, Pankaj and Mondal, Raju} } @article {43823, title = {Low-dimensional hybrid perovskites as high performance anodes for alkali-ion batteries}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {SEP}, chapter = {18634-18642}, abstract = {

State-of-the-art Li (or Na) ion batteries work by insertion/extraction of the alkali metal ions into a porous electrode material, where the overall capacity is strongly dependent on the accessibility of the host material interior to the ions. On the other hand, the performance stability depends on various factors governed by the specific constitution of the electrode. Here we show that molecularly engineered low-dimensional hybrid perovskites can work as excellent anode materials for alkali-ion batteries. We measure a high reversible capacity of 646 mA h g(-1) at 100 mA g(-1) with good stability tested up to 250 cycles for the benzidine mediated lead iodide based 1D system. An ex situ analysis of the electrodes reveals that the storage primarily occurs via the Li-x(or Na-x)Pb alloying/de-alloying process. We anticipate that these results open a new direction for the use of low-dimensional hybrid perovskites for energy storage applications.

}, keywords = {Generation, Inorganic-Organic Hybrid, Lead Iodide, lithiation-intramolecular electrophilic reaction, Na-Air Battery, Negative Electrodes, Organometal Halide perovskites, PB, Sequential Deposition, Solar-cells}, issn = {2050-7488}, doi = {10.1039/c7ta04529h}, author = {Tathavadekar, Mukta and Krishnamurthy, Shrreya and Banerjee, Aparna and Nagane, Satyawan and Gawli, Yogesh and Suryawanshi, Anil and Bhat, Suresh and Puthusseri, Dhanya and Mohite, Aditya D. and Ogale, Satishchandra} } @article {43772, title = {Magnetic reduced graphene oxide loaded hydrogels: highly versatile and efficient adsorbents for dyes and selective Cr(VI) ions removal}, journal = {Journal of Colloid and Interface Science}, volume = {507}, year = {2017}, month = {DEC}, pages = {360-369}, type = {Article}, abstract = {The formation of composites of reduced graphene oxide (rGO) and magnetic nanoparticles (MP) has flourished in recent years as they combine the advantages of both nanomaterials. Most of these composite materials are prepared by in situ formation of MP onto rGO or by the post-adsorption onto rGO. We report here on a simple and highly controlled method for the fabrication of different magnetic 3D rGO-loaded hydrogels. Cellulose bound magnetic nanoparticles (MP@cellulose) were synthesized by chemical co-precipitation and loaded together with rGO into poly(ethylene glycol) dimethacrylate based hydrogels during their fabrication using photo-polymerization. The magnetic rGO-loaded hydrogels proved to be highly adaptable to different applications. The as-formed composites allowed for efficient dye removal with an adsorption capacity of 111.9 +/- 4 mg g(-1) in the case of methylene blue (MB). Integration of poly(ethyleneimine) (PEI) allowed for the selective capturing of Cr6+ ions with an adsorption capacity of 313 12 mg g-1. Most importantly, independent of the application, the magnetic rGO-loaded hydrogel can be regenerated without loss of its adsorption capacity. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jcis.2017.07.075}, author = {Halouane, Fatima and Oz, Yavuz and Meziane, Dalila and Barras, Alexandre and Juraszek, Jean and Singh, Santosh K. and Kurungot, Sreekumar and Shaw, Pankaj K. and Sanyal, Rana and Boukherroub, Rabah and Sanyal, Amitav and Szunerits, Sabine} } @article {43780, title = {Magnetoelastic properties of terbium substituted cobalt ferrite}, journal = {Chemical Physics Letters}, volume = {685}, year = {2017}, month = {OCT}, pages = {465-469}, type = {Article}, abstract = {The magnetic properties of terbium substituted cobalt ferrites CoFe(2-x)TbxO(4) (x = 0, 0.05, 0.1, 0.15 and 0.2) prepared by conventional solid state method are studied. The coercivity showed marked increase up to x = 0.1 and saturation magnetization decreased with increasing terbium content. Magnetostriction measurements did not show much decrease in the maximum value of strain but significant increase in the slope of magnetostriction was observed for x = 0.15 with moderate magnetostriction of around 144 ppm. The observed magnetic and magnetostrictive properties can be explained on the basis of structural and microstructural changes arising because of terbium substitution. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2017.08.006}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article {45663, title = {Mapping of optimum operating condition for LiBr-water refrigeration cycles}, journal = {Sadhana: Academy Proceedings in Engineering Sciences}, volume = { 42 }, year = {2017}, month = {FEB}, pages = {257-269}, type = {Article}, abstract = {

In this work, optimum operating condition maps are generated covering wide ranges of refrigeration and sink temperatures for single-and double-effect LiBr-water vapour absorption refrigeration cycle. These optimum condition maps will be useful to choose optimum operating conditions while designing LiBr-water cycle for desired applications. Methodology for generating such maps is discussed in detail, which can also be used for other absorption refrigeration cycles with various working fluids. Three configurations of LiBr-water absorption refrigeration cycles, single effect, double-effect series flow and double-effect parallel flow, are analysed with the most accurate thermodynamic property correlation available in the literature. Sensitivity of cycle performance to various operating variables such as generator, absorber and condenser temperatures is determined. Second law analysis shows that when a higher temperature heat source is available, double-effect cycles are more effective over single effect as they have higher coefficient of performance.

}, doi = {10.1007/s12046-017-0597-9}, author = {Mali, Nilesh A. and Bhagwat, Sunil S.} } @article {44139, title = {Mass spectrometry based identification of galectin-3 interacting proteins potentially involved in lung melanoma metastasis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {NOV}, pages = {2303-2309}, type = {Article}, abstract = {Adhesive interactions between molecules on tumor cells and those on target organs play a key role in organ specific metastasis. Poly-N-acetyl-lactosamine (polyLacNAc) substituted N-oligosaccharides on melanoma cell surface glycoproteins promote lung specific metastasis via galectin-3 by facilitating their arrest and extravasation. This study reports the identification and characterization of galectin-3 interacting proteins using a combination of galectin-3 sepharose affinity and leucoagglutinating phytohemagglutinin (L-PHA) columns. A total of 83 proteins were identified as galectin-3 interacting glycoproteins, of which 35 were constituents of the L-PHA bound fraction, suggesting that these proteins carry polyLacNAc substituted beta 1,6 branched N-glycans. The identities of some of these proteins, like LAMP-1, LAMP-3, basigin, embigin, and alpha 5 and beta 1 Integrin, have been confirmed by western blotting, and functional relevance with respect to metastatic properties has been established.}, doi = {10.1039/c7mb00260b}, author = {Dange, Manohar C. and Bhonsle, Hemangi S. and Godbole, Rashmi K. and More, Shyam K. and Bane, Sanjay M. and Kulkarni, Mahesh J. and Kalraiya, Rajiv D.} } @article {43868, title = {Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, abstract = {This study demonstrates the preparation and structural characterization of a Si(IV) hydride (PhC(NtBu)(2)SiH(CH3)Cl) (1) and its use as a catalyst for the cyanosilylation of a variety of aldehydes. Compound 1 represents the first neutral penta-coordinate silicon(IV) species that catalyzes cyanosilylation of aldehydes under mild conditions.}, doi = {10.1039/c7cc03948d}, author = {Swamy, V. S. V. S. N. and Bisai, Milan Kumar and Das, Tamal and Sen, Sakya S.} } @article {43907, title = {Metal-free, br{\o}nsted acid-catalyzed formal [3+2] annulation of quinone monoacetals with 2-naphthols}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {SEP}, type = {Article}, abstract = {An operationally simple and metal-free cross-coupling of quinone monoacetals (QMAs) with 2-naphthols catalyzed by triflic acid is reported. This formal [3+2] annulation allowed the synthesis of diverse naphtho[2,1-b]benzofuranderivatives in moderate to good yields. Preliminary mechanistic studies reveal the initial nucleophilic substitution of QMAs with 2-naphthols in preference to the mixed acetal formation and subsequent [3,3] sigmatropic rearrangement.}, doi = {10.1021/acs.joc.7b02033}, author = {Jacob, Anu and Roy, Tony and Kaicharla, Trinadh and Biju, Akkattu T.} } @article {43869, title = {Metal-free radical trifluoromethylation of beta-nitroalkenes through visible-light photoredox catalysis}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, pages = {6760-6763}, type = {Article}, abstract = {A catalytic method for functional group interconversion is immensely important in modern sciences. Here, we report an efficient catalytic conversion of nitroalkenes to highly stereoselective 1-trifluoromethylalkenes at room temperature. This unprecedented metal-free photocatalytic strategy is simple and operates under visible-light irradiation using the commercially available CF3 source.}, doi = {10.1039/c7cc02589k}, author = {Midya, Siba P. and Rana, Jagannath and Abraham, Thomas and Aswin, Bhaskaran and Balaraman, Ekambaram} } @article {43803, title = {Method for the analysis of free carbenes present after NHC-organocatalyzed transformations}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {AUG}, pages = {4500-4506}, type = {Article}, abstract = {In N-heterocyclic carbene (NHC) based organocatalysis, usually, the free carbene is generated in situ by treatment of the azolium salt with a base. Described herein is a method for the analysis of the NHC present in the reaction flask after the NHC-organocatalyzed reaction. For this, the reaction mixture was treated with elemental sulfur after the reaction and the thus-formed thiourea/thione derivative was isolated. Common NHC-catalyzed transformations such as benzoin reactions, Stetter reactions, homoenolate annulation reactions, and reactions proceeding via the ,-unsaturated acylazolium intermediate have been studied. The results indicate that after the reactions, 28-84\% of the initial carbenes exist in the free form.}, doi = {10.1002/ejoc.201700903}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @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 {43356, title = {Micelles versus Ribbons: how congeners drive the self-assembly of acidic sophorolipid biosurfactants}, journal = {ChemPhysChem}, year = {2017}, month = {MAR}, pages = {643-652}, type = {Journal }, abstract = {

Sophorolipids (SLs), a class of microbially derived biosurfactants, are reported by different research groups to have different self-assembled structures (either micelles or giant ribbons) under the same conditions. Here we explore the reasons behind these contradictory results and attribute these differences to the role of specific congeners that are present in minute quantities. We show that a sample composed of a majority of oleic acid (C18:1) sophorolipid in the presence of only 0.5 \% (or more) of congeners with stearic acid (C18:0) or linoleic acid (C18:2) results in the formation of micelles that are stable over long periods of time. Conversely, the presence of only 10 to 15 \% of congeners with a stearic acid chain gives fibrillar structures instead of micelles. To study the mechanisms responsible, oleic acid SLs devoid of any other congeners were prepared. Very interestingly, this sample can self-assemble into either micelles or fibers depending on minute modifications to the self-assembly conditions. The findings are supported by light scattering, small-angle X-ray scattering, transmission electron microscopy under cryogenic conditions, high-pressure liquid chromatography, and NMR spectroscopy.

}, doi = {10.1002/cphc.201601323}, author = {Dhasaiyan, Prabhu and Griel, Patrick Le and Roelants, Sophie and Redant, Emile and Bogaert, Inge N. A. Van and Prevost, Sylvain Francois and Prasad, Bhagavatula L. V. and Baccile, Niki} } @inbook {45780, title = {Microwave-assisted extraction of carvone from carum carvi}, booktitle = {Novel water treatment and separation methods simulation of chemical processes}, year = {2017}, pages = {356}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1 }, chapter = {Microwave-assisted extraction of carvone from carum carvi}, address = {New York}, abstract = {

Due to increasing demand for potable and irrigation water, new scientific research is being conducted to deal with wastewater from a variety of sources. Novel Water Treatment and Separation Methods: Simulation of Chemical Processes presents a selection of research related to applications of chemical processes for wastewater treatment, separation techniques, and modeling and simulation of chemical processes. Among the many topics are: degradation of herbicide removal of anionic dye efficient sun-light driven photocatalysis removal of copper and iron using green activated carbon defluoridation of drinking water removal of calcium and magnesium from wastewater using ion exchange resins degradation of vegetable oil refinery wastewater novel separation techniques, including microwave-assisted extraction and more The volume presents selected examples in wastewater treatment, highlighting some recent examples of processes such as photocatalytic degradation, emulsion liquid membrane, novel photocatalyst for degradation of various pollutants, and adsorption of heavy metals. The book goes on to explore some novel separation techniques, such as microwave-assisted extraction, anhydrous ethanol through molecular sieve dehydration, batch extraction from leaves of Syzygium cumini (known as jambul, jambolan, jamblang or jamun), and reactive extraction. These novel separation techniques have proved be advantageous over conventional methods. The volume also looks at modeling and simulation of chemical processes, including chapters on flow characteristics of novel solid-liquid multistage circulating fluidized bed, mathematical modeling and simulation of gasketed plate heat exchangers, optimization of the adsorption capacity of prepared activated carbon, and modeling of ethanol/water separation by pervaporation, along with topics on simulation using CHEMCAD software.

}, isbn = {978-177188578-2}, issn = {978-1771885782}, doi = {10.1201/9781315225395}, author = {Borole, O. D. and Shirsath, S. R. and Gaikwad, S. G.} } @article {43878, title = {Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features}, journal = {Chemistry- A European Journal }, volume = {23}, year = {2017}, month = {SEP}, chapter = {12630-12635}, abstract = {

Ferroelectric materials find extensive applications in the fabrication of compact memory devices and ultra-sensitive multifunctional detectors. Face-to-face alternate stacking of electron donors and acceptors effectuate long-range unidirectional ordering of charge-transfer (CT) dipoles, promising tunable ferroelectricity. Herein we report a new TTF-quinone system-an emerald green CT complex consisting pillar[5]quinone (P5Q) and tetrathiafulvalene (TTF). The CT crystals, as determined by single crystal synchrotron X-ray diffraction, adopt a 1:1 mixed-stack arrangement of donor and acceptor with alternating dimers of TTF and 1,4-dioxane encapsulated P5Q. The TTF-P5Q.dioxane crystal possesses a macroscopic polarization axis giving rise to ferroelectricity at room temperature. The CT complex manifests ferroelectric features such as optical polarization rotation, temperature-dependent phase transition and piezoelectric response in single crystals. Ferroelectric behavior observed in P5Q-based CT complex widens the scope for further work on this structurally intriguing and readily accessible cyclic pentaquinone.

}, keywords = {Acceptor, Charge-transfer complexes, Chemistry, Conductors, DDQ, Donor, ferroelectric, Macrocycles, Organic Metals, Pi-interaction, Pillar[5]quinone, salts, Transfer Complexes, Transport}, issn = {0947-6539}, doi = {10.1002/chem.201702577}, author = {Shivakumar, Kilingaru I. and Swathi, Kadaba and Goudappagouda and Das, Tamal C. and Kumar, Ashwani and Makde, Ravindra D. and Vanka, Kumar and Narayan, Kavassery S. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @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 {43990, title = {Molecular dynamics simulation and experimental study on the growth of methane hydrate in presence of methanol and sodium chloride}, journal = {Energy Procedia}, volume = {105}, year = {2017}, month = {MAY}, pages = {5026-5033}, type = {Article}, abstract = {The plugging of processing and transportation lines by gas hydrate formation is a challenging problem for safe exploitation of oil and gas. The existence of water soluble third component (like methanol and sodium chloride) in the aqueous phase influence the gas hydrate formation thermodynamically also possibly affects the kinetics of hydrate growth. Inorganic salt and organic molecule (alcohols) at high concentration in the aqueous phase have been used as thermodynamic inhibitors to effectively prevent the hydrate formation. This study utilizes molecular dynamics as well as an experimental method to investigate the mechanism of the hydrate formation and the effect of additives. The MD simulation showed that at moderate temperature and pressure, a low concentration (1 wt \%) of methanol and NaCl enhances methane hydrate growth kinetics. Significant numbers of methanol molecules were observed inside the gas hydrate cages whereas Na$^{+}$/Cl$^{-}$ ions leach out during hydrate formation.}, doi = {10.1016/j.egypro.2017.03.1008}, author = {Choudhary, Nilesh and Kushwaha, Omkar Singh and Bhattacharjee, Gaurav and Chakrabarty, Suman and Kumar, Rajnish} } @article {45664, title = {Molecular level control of the capacitance of two-dimensional covalent organic frameworks: role of hydrogen bonding in energy storage materials}, journal = {Chemistry of Materials}, volume = {29}, year = {2017}, month = {MAR}, pages = {2074-2080}, type = {Article}, abstract = {Two-dimensional redox-active covalent organic frameworks (COFs) are ideal materials for energy storage applications due to their high surface area, extended pi conjugated structure, tunable pore size, and adjustable functionalities. Herein, we report the synthesis and super capacitor application of two redox active COFs [TpPa-(OH)(2) and TpBD-(OH)(2)] along with the role of their redox active functional groups for the enrichment of specific capacitance. Of these COFs, TpPa-(OH)2 exhibited the highest specific capacitance of 416 F g(-1) at 0.5 A g(-1) current density in three electrode configuration while the highest specific capacitance was 214 F g(-1) at 0.2 A g(-1) current density in two electrode configuration. Superior specific capacitance was due to emergence of excellent pseudocapacitance by virtue of precise molecular level control over redox functionalities present in the COF backbone. This COF also demonstrated 66\% capacitance retention after 10 000 cycles along with 43\% accessibility of the redox-active hydroquinone (H2Q) moieties in three electrode configuration while the capacitance retention was 88\% after 10 000 cycles in two electrode configuration. Exceptionally high specific capacitance of TpPa-(OH)(2) was due to the reversible proton-coupled electron transfer (2H(+)/2(e-)) of hydroquinone/benzoquinone (H(2)Q/Q) moieties wherein H(2)Q and Qhad comparable chemical stabilities during redox cycling that originated from H-bonding, which was supported by calculated structures.}, doi = {10.1021/acs.chemmater.6b04178}, author = {Chandra, S. and Chowdhury, D.R and Addicoat, M. and Heine, T. and Paul, A. and Banerjee, R.} } @article {43976, title = {Multi-mode hydrogen storage in nanocontainers}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {AUG}, pages = {24256-24262}, type = {Article}, abstract = {Hydrogen can be stored in containers or in materials (in molecular or atomic forms). The atomic form can further exist as multiple phases. Molecular hydrogen can be adsorbed on the surface or can be present inside the material. By invoking multiple modes of hydrogen storage, we establish a paradigm shift in the philosophy of hydrogen storage. Using a novel strategy of storage of molecular hydrogen in metal (Pd) nanocontainers, we observe that 18\% hydrogen is in molecular form. Interestingly, this is achieved at 25 {\textdegree}C and 1 atm pressure; which is in contrast to storage in MOFs and carbonaceous materials like nanotubes. Enhancement in storage capacity as compared to Pd nanocrystals of the same mass is observed (36\% increase at 1 atm \& 25 {\textdegree}C), along with fast kinetics (0.5 wt\% hydrogen absorption in 5 s). A new mechanism for hydrogen storage involving the dual catalytic role of Pd is established.}, doi = {10.1016/j.ijhydene.2017.07.233}, author = {Shervani, Suboohi and Mukherjee, Puspal and Gupta, Anshul and Mishra, Gargi and Illath, Kavya and Ajithkumar, Thallaseril G. and Sivakumar, Sri and Sen, Pratik and Balani, Kantesh and Subramaniam, Anandh} } @article {43171, title = {Multiple functionalities of Ni nanoparticles embedded in carboxymethyl guar gum polymer: catalytic activity and superparamagnetism}, journal = {Applied Surface Science}, year = {2017}, month = {JAN}, abstract = {Composites comprising of metallic nanoparticles in polymer matrices have allured significant importance due to multifunctionalities. Here a simple protocol has been described to embed Ni nanoparticles in carboxymethyl guar gum (CMGG) polymer. The composite formation helps in the stabilization of Ni nanoparticles which are otherwise prone towards aerial oxidation. Further the nanoparticles retain their superparamagnetic nature and catalytic capacity. Ni-Polymer composite catalyses the reduction of 4-Nitrophenol to 4-Aminophenol very efficiently in presence of NaBH4, attaining a complete conversion under some experimental conditions. Ni-Polymer composite is well characterized using UV{\textendash}vis spectroscopy, FTIR, XPS, powder XRD, TGA, SEM and TEM. A detailed magnetic measurement using superconducting quantum interference device-vibrating sample magnetometer (SQUID-VSM) reveals superparamagnetic behaviour of the composite.}, author = {Sardar, Debasmita and Sengupta, Manideepa and Bordoloi, Ankur and Ahmed, Md. A. and Neogi, S. K. and Bandyopadhyay, Sanjoy and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43872, title = {Multipronged quantitative proteomics reveals serum proteome alterations in breast cancer intrinsic subtypes}, journal = {Journal of Proteomics}, volume = {163}, year = {2017}, month = {JUN}, pages = {1-13}, type = {Article}, abstract = {Being molecularly heterogeneous, breast cancer tends to be a complicated oncological disease with high incidence rates throughout the world. The primary aim of this study was to identify the set of serum proteins with discriminatory capabilities towards the four major subtypes of breast cancer. We employed multipronged quantitative proteomic approaches like 2D-DIGE, iTRAQ and SWATH-MS and identified 307 differentially regulated proteins. Luminal A subtype consisted of 24, Luminal B subtype 38, HER2 Enriched subtype 17 and Triple negative breast cancer subtype 10 differentially regulated subtype specific proteins. These specific proteins were further subjected to bioinformatic tools which revealed the involvement in platelet degranulation, fibrinolysis, lipid metabolism, immune response, complement activation, blood coagulation, glycolysis and cancer signaling pathways in the subtypes of the breast cancer. The significant discrimination efficiency of the models generated through multivariate statistical analysis was decent to distinguish each of the four subtypes from controls. Further, some of the statistically significant differentially regulated proteins were verified and validated by immunoblotting and mass spectrometry based selected reaction monitoring (SRM) approach. Our Multipronged proteomics approaches revealed panel of serum proteins specifically altered for individual subtypes of breast cancer. The mass spectrometry data are available via ProteomeXchange with identifier PXD006441. Biological significance: Worldwide, breast cancer continues to be one of the leading causes of cancer related deaths in women and it encompasses four major molecular subtypes. As breast cancer treatment majorly depends on identification of specific subtype, it is important to diagnosis the disease at subtype level. Our results using multipronged quantitative proteomics identified 307 differentially regulated proteins in which 24 were specific for Luminal A, 38 for Luminal B, 17 for HER2 enriched and 10 proteins were specific for TN subtype. Bioinformatic analysis of these proteins revealed certain biological processes and pathways altered at subtype level and validation experiments of some of these proteins using immunoblotting and SRM assays are consistent with discovery data. This is the first comprehensive proteomic study on serum proteome alterations at subtype level which will not only help to distinguish subtype of breast cancer but also contribute to a better understanding of the molecular characteristic of breast cancer at individual subtype level. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.05.007}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Jagadeeshaprasad, Mashanipalya G. and RoyChoudhury, Sourav and Mane, Anupama and Bayatigeri, Santhakumari and Chaudhury, Koel and Santra, Manas K. and Rapole, Srikanth} } @article {43352, title = {N - heterocyclic - carbene - catalyzed umpolung of imines}, journal = {Angewandte Chemie International Edition}, volume = {56}, year = {2017}, month = {MAR}, pages = {2730 - 2734}, type = {Article}, abstract = {

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

}, doi = {10.1002/anie.201611268}, author = {Patra, Atanu and Mukherjee, Subrata and Das, Tamal Kanti and Jain, Shailja and Gonnade, Rajesh Ghanshyam and Biju, Akkattu T.} } @article {43718, title = {Nanoparticle assembly: a perspective and some unanswered questions}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1635-1641}, type = {Article}, abstract = {In early 2016, the Royal Society of Chemistry arranged a meeting on the topic {\textquoteright}Nanoparticle Assemblies: from Fundamentals to Applications{\textquoteright} which was hosted at IIT-Bombay, Mumbai. The meeting brought several leading nanoscience and nanotechnology researchers to India and is only the second Faraday Discussions meeting to have been held in the country. The papers presented at the meeting and the resulting active discussions have been summarized in a Faraday Discussion issue(1). The broad range of topics discussed at the meeting led to an understanding on where we stand in the field of nanoparticle assembly, and also enunciated some of the outstanding fundamental and practical issues that remain to be resolved before these ideas can be applied to practical situations. Driven by these ideas, here we focus on four topics/questions: (i) Can we achieve function-driven design of nanoparticle assemblies? (ii) What is the minimal information needed to build a desired assembly? (iii) How complex a structure can one build? How can one make it responsive? What are the relative roles of equilibrium versus dynamics in the assembly process, and are we at a point where we can now pursue active assembly as a viable mode for creating complex assemblies? (iv) What are the applications that are being targeted and what are the barriers to implementation? In this perspective, we do not present an exhaustive survey of the vast literature in this area, but indicate overarching themes/questions that require immediate attention, largely based on the discussions at the Mumbai meeting.}, author = {Kumar, Sanat K. and Kumaraswamy, Guruswamy and Prasad, Bhagavatula L. V. and Bandyopadhyaya, Rajdip and Granick, Steve and Gang, Oleg and Manoharan, Vinothan N. and Frenkel, Daan and Kotov, Nicholas A.} } @article {45712, title = {N-doped porous reduced graphene oxide as an efficient electrode material for high performance flexible solid-state supercapacitor}, journal = {Applied Materials Today}, volume = {8}, year = {2017}, month = {SEP}, pages = {141-149}, type = {Article}, abstract = {Supercapacitors (SCs) are energy storage devices with an immense potential to resolve energy related issues. Being a low cost, durable and multifunctional material, graphene and its derivatives are the most promising candidates for SCs. Here, we report the synthesis of N-doped porous reduced graphene (N-pGr) and its use for the fabrication of all-solid-state supercapacitor (ASSC) device. The N-pGr exhibited a specific capacitance of 230 F g(-1) at 1 A g(-1) current density and good capacitance retention up to 88\% even after 10,000 galvanostatic charge-discharge cycles recorded at 5 A g(-1) fabricated in a solid-state supercapacitor. The synergistic effect of the porosity and N-doping is believed to be the underlying principle for the improved charge storage ability when compared to other reports. Significantly, the porous nature of N-pGr contributes in increasing the electroactive surface area for the formation of electrical double layer as well as facilitating the faster movement of electrolyte ions inside the electrode network. N-doping is believed to change the electrical properties of the electrode material and also to participate in the pseudo-capacitance which helped to boost the overall capacitance of the fabricated device. The good capacitance retention provides the room for making robust flexible solid-state supercapacitor (FSSC) with the N-pGr material.}, doi = {10.1016/j.apmt.2016.10.002}, author = {Singh, S. K. and Dhavale, V. M. and Boukherroub, R. and Kurungot, S. and Szunerits, S.} } @article {42937, title = {New bithiazolyl hydrazones: novel synthesis, characterization and antitubercular evaluation}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {JAN}, pages = {288{\textendash}294}, abstract = {

New bithiazolyl hydrazones (6a{\textendash}l) have been first time synthesized by carrying novel one pot cyclocondensation of 5-acyl thiazoles (1a{\textendash}b), thiosemicarbazide (2) and substituted phenacyl chlorides (4a{\textendash}f) in freshly prepared ionic liquid, diisopropyl ethyl ammonium acetate (DIPEAc) at room temperature. The newly synthesized compounds have been evaluated for their antitubercular activity and the compounds 3b, 6a, 6b, 6d, 6e, 6f, 6g, and 6l have displayed noticeable antitubercular activity compared to Rifampicin with tolerable cytotoxicity. All these compounds were also screened for their antibacterial activity and found that, compounds 6j and 6k have exhibited a very good antibacterial activity. Molecular docking study has shown better harmony with the evaluation trend shown by these compounds under in vitro antitubercular screening.

}, doi = {10.1016/j.bmcl.2016.11.056}, author = {Bhalerao, Mahendra B. and Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {44016, title = {New insight into sugarcane industry waste utilization (press mud) for cleaner biobutanol production by using c. acetobutylicum nrrl b-527}, journal = {Applied Biochemistry and Biotechnology}, year = {2017}, month = {MAY}, chapter = {1-18}, abstract = {

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

}, keywords = {Acetone, Acetone butanol ethanols, Acidic pre treatments, Agriculture, Biobutanol, cellulose, Clostridium acetobutylicum, Detoxification, Drying, Drying Fermentation, FermentationSpoilage, Fermentative production, Pre-treatment, Press mud, Press mud Pretreatment, Response surface methodology, Sugar industry, Sulfur determination}, issn = {0273-2289}, doi = {10.1007/s12010-017-2479-3}, author = {Nimbalkar, Pranhita R. and Khedkar, Manisha A. and Gaikwad, S. G. and Chavan, Pramod V. and Bankar, Sandip B.} } @article {45769, title = {N-Heterocyclic carbene-catalyzed aldol-lactonization of ketoacids via dynamic kinetic resolution}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {JUN}, pages = {3995-3999}, type = {Article}, abstract = {

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

}, keywords = {aldol lactonization, beta-lactones, DKR strategies, ketoacids, N-heterocyclic carbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.7b00681}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh and Biju, Akkattu T.} } @article {44403, title = {Nickel-catalyzed direct synthesis of dialkoxymethane ethers}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1153-1159}, abstract = {A simple and efficient method for the preparation of dialkoxymethane ethers (oxymethylene ethers) from alcohols and paraformaldehyde in the presence of commercially available nickel(II) salt is described. The reaction proceeds readily under neutral, solvent-free conditions using paraformaldehyde as a C-1 source. The present strategy has a broad substrate scope including aliphatic (both primary and secondary) and aromatic alcohols and provides a benign method for the preparation of symmetrical dialkoxymethanes in good yields (up to 89\%).}, doi = {10.1007/s12039-017-1339-6}, author = {Subaramanian, Murugan and Bera, Abhijit and Prasad, Bhagavatula L. V. and Balaraman, Ekambaram} } @article {43883, title = {Nickel-catalyzed N-vinylation of heteroaromatic amines via C-H bond activation}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {SEP}, pages = { 6896-6900}, type = {Article}, abstract = {

Here, we report a ligand- and reductant-free nickel-catalyzed N-vinylation of heteroaromatic amines using biorenewable p-cymene as a solvent. This unprecedented cross-coupling strategy has high functional group tolerance (halides, alkoxy, cyano, chiral motif, etc.) and proceeded via C-H bond activation.

}, keywords = {Alkylation, Amination Reactions, Anilines, Aryl Chlorides, halides, Monoarylation, O Bonds, Precatalyst, Pyrimidines, Removeble Directing Group}, issn = {1477-0520}, doi = {10.1039/c7ob01791j}, author = {Landge, Vinod G. and Rana, Jagannath and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {43844, title = {Nitrogen-doped graphene anchored with mixed growth patterns of CuPt alloy nanoparticles as a highly efficient and durable electrocatalyst for the oxygen reduction reaction in an alkaline medium}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {JUL}, pages = {9009-9017}, type = {Article}, abstract = {

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

}, doi = {10.1039/c7nr00697g}, author = {Illathvalappil, Rajith and Dhavale, Vishal M. and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {43800, title = {Norepinephrine alkaloids as antiplasmodial agents: Synthesis of syncarpamide and insight into the structure-activity relationships of its analogues as antiplasmodial agents}, journal = {European Journal of Medicinal Chemistry}, volume = {138}, year = {2017}, month = {SEP}, pages = {1089-1105}, type = {Article}, abstract = {

Syncarpamide 1, a norepinephrine alkaloid isolated from the leaves of Zanthoxylum syncarpum (Rutaceae) exhibited promising antiplasmodial activities against Plasmodium falciparum with reported IC50 values of 2.04 mu M (D6 clone), 3.06 mu M (W2 clone) and observed by us 3.90 mu M (3D7 clone) and 2.56 mu M (K1 clone). In continuation of our work on naturally occurring antimalarial compounds, synthesis of syncarpamide 1 and its enantiomer, (R)-2 using Sharpless asymmetric dihydroxylation as a key step has been accomplished. In order to study structure-activity-relationship (SAR) in detail, a library of 55 compounds (3-57), which are analogues/homologues of syncarpamide 1 were synthesized by varying the substituents on the aromatic ring, by changing the stereocentre at the C-7 and/or by varying the acid groups in the ester and/or amide side chain based on the natural product lead molecule and further assayed in vitro against 3D7 and K1 strains of P. falciparum to evaluate their antiplasmodial activities. In order to study the effect of position of functional groups on antiplasmodial activity profile, a regioisomer (S)-58 of syncarpamide 1 was synthesized however, it turned out to be inactive against both the strains. Two compounds, (S)-41 and its enantiomer, (R)-42 having 3,4,5-trimethoxy cinnamoyl groups as side chains showed better antiplasmodial activity with IC50 values of 3.16, 2.28 mu M (3D7) and 1.78, 2.07 mu M (I(1), respectively than the natural product, syncarpamide 1. Three compounds (S)-13, (S)-17, (S)-21 exhibited antiplasmodial activities with IC50 values of 6.39, 6.82, 6.41 mu M against 3D7 strain, 4.27, 7.26, 2.71 mu M against K1 strain and with CC50 values of 147.72, 153.0, \>200 mu M respectively. The in vitro antiplasmodial activity data of synthesized library suggests that the electron density and possibility of resonance in both the ester and amide side chains increases the antiplasmodial activity as compared to the parent natural product 1: The natural product syncarpamide 1 and four analogues/homologues out of the synthesized library of 55, (S)-41, (R)-42, (S)-55 and (S)-57 were assayed in vivo assay against chioroquine-resistant P. yoelii (N-67) strain of Plasmodium. However, none of the five molecules, 1, (S)-41, (R)-42, (S)-55 and (S)-57 exhibited any promising in vivo antimalarial activity against P. yoelii (N-67) strain. Compounds 4, 6, 7 and 11 showed high cytotoxicities with CC50 values of 5.87, 5.08, 6.44 and 14.04 mu M, respectively. Compound 6 was found to be the most cytotoxic as compared to the standard drug, podophyllotoxin whereas compounds 4 and 7 showed comparable cytotoxicities to podophyllotoxin. (C) 2017 Elsevier Masson SAS. All rights reserved.

}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2017.07.052}, author = {Aratikatla, Eswar K. and Valkute, Tushar R. and Puri, Sunil K. and Srivastava, Kumkum and Bhattacharya, Asish K.} } @article {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 {43522, title = {On-axis pulsed laser deposition of hybrid perovskite films for solar cell and broadband photo-sensor applications}, journal = {Journal of Applied Physics}, volume = {121}, year = {2017}, month = {APR}, pages = {Article Number: 133107}, abstract = {High quality hybrid perovskite films are grown by the pulsed laser deposition (PLD) process through target stoichiometry and gas ambient control in the commonly used on-axis geometry which is compatible with PLD of other materials such as metal oxides. The use of an off-stoichiometric target and a momentum softening gas mixture of argon and hydrogen (90\%:10\%) is shown to yield dense films in the on-axis geometry with excellent stoichiometry and optical quality. The band gap can be easily tuned from 1.6 to 2.3 eV with either mixed halide composite target or successive depositions of inter-diffusing MAPbBr(3) and MAPbI(3) layers. A photosensor based on PLD grown MAPbI(3) is shown to render impressive performance over the broad range of wavelengths from 375 to 800 nm at a voltage of 5V bias. A planar heterojunction solar cell based on the dry-processed on-axis PLD grown film exhibits a champion conversion efficiency of 10.9\%. A heterostructure comprising in situ pulsed laser deposited Cu2O (p-type) followed by the hybrid perovskite film shows a rectifying characteristic and photoresponse.}, doi = {10.1063/1.4979865}, author = {Bansode, Umesh and Ogale, Satishchandra B.} } @article {43383, title = {Optimal combinations of control strategies and cost-effective analysis for visceral leishmaniasis disease transmission}, journal = {PLoS ONE}, volume = {12}, year = {2017}, month = {MAR}, abstract = {Visceral leishmaniasis (VL) is a deadly neglected tropical disease that poses a serious problem in various countries all over the world. Implementation of various intervention strategies fail in controlling the spread of this disease due to issues of parasite drug resistance and resistance of sandfly vectors to insecticide sprays. Due to this, policy makers need to develop novel strategies or resort to a combination of multiple intervention strategies to control the spread of the disease. To address this issue, we propose an extensive SIR-type model for anthroponotic visceral leishmaniasis transmission with seasonal fluctuations mod-eled in the form of periodic sandfly biting rate. Fitting the model for real data reported in South Sudan, we estimate the model parameters and compare the model predictions with known VL cases. Using optimal control theory, we study the effects of popular control strategies namely, drug-based treatment of symptomatic and PKDL-infected individuals, insecticide treated bednets and spray of insecticides on the dynamics of infected human and vector populations. We propose that the strategies remain ineffective in curbing the disease individually, as opposed to the use of optimal combinations of the mentioned strategies. Testing the model for different optimal combinations while considering periodic seasonal fluctuations, we find that the optimal combination of treatment of individuals and insecticide sprays perform well in controlling the disease for the time period of intervention introduced. Performing a cost-effective analysis we identify that the same strategy also proves to be effi-cacious and cost-effective. Finally, we suggest that our model would be helpful for policy makers to predict the best intervention strategies for specific time periods and their appropriate implementation for elimination of visceral leishmaniasis.}, doi = {10.1371/journal.pone.0172465}, author = {Biswas, Santanu and Subramanian, Abhishek and Elmojtaba, Ibrahim M. and Chattopadhyay, Joydev and Sarkar, Ram Rup} } @article {43938, title = {Optimization for the production of mycelial biomass from Benjaminiella poitrasii to isolate highly deacetylated chitosan}, journal = {Journal of Polymer Materials}, volume = {34}, year = {2017}, month = {MAR}, pages = {145-156}, type = {Article}, abstract = {

Benjaminiella poitrasii, a dimorphic zygomycetous fungus contains more chitosan in the mycelial cell wall than the cell wall of its yeast form. The optimized medium containing yeast extract, peptone, MgSO4, KH2PO4, trace metals (Fe2+, Mn2+ Zn2+ and Co2+ ) solution and 1\% starch produced 10-12 g/L(dry wt.) of mycelial biomass in 48 h in a 2L fermenter. Using 1N NaOH treatment from 1 g of dried biomass 51.00 {\textpm} 0.52 mg of chitosan of 42.82 KDa molecular weight and 94.24 \% degree of deacetylation was extracted. With Metarhizium anisopliae chitin deacetylase (CDA), chitosan yield was 59.00 {\textpm} 0.84 mg while treatment with CDA of B. poitrasii it was 78.05 {\textpm} 0.58 mg/g of dry wt. of biomass. The chitosan dissolved in 2\% acetic acid showed higher antifungal activity against Candida albicans (MIC90 0.025 mg/mL) and Candida glabrata (MIC90 0.2 mg/mL) than chitosan extracted from marine source (MIC90 \>1.6 mg/mL) suggesting use of fungal chitosan in healthcare.

}, author = {Mane, S. R. and Pathan, Ejaj K. and Kale, D. and Ghormade, Vandana and Gadre, Ramchandra V. and Rajamohanan, Pattuparambil Ramanpillai and Badiger, Manohar V. and Deshpande, Mukund V.} } @article {43798, title = {Organocatalytic enantioselective vinylogous michael-aidoi cascade for the synthesis of spirocyclic compounds}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {AUG}, pages = {4367-4370}, type = {Article}, abstract = {Enantioselective synthesis of pyrazolone-fused spirocyclohexenols by the secondary amine-catalyzed cascade reaction of alpha,beta-unsaturated aldehydes with alpha-arylidene pyrazolinones is reported. This formal [3 + 3] organocascade reaction proceeds through a vinylogous Michael-aldol sequence to furnish the spiroheterocycles with three stereocenters including an all-carbon quaternary center in good yields and selectivities. The catalytic generation of alpha,beta-unsaturated iminium ions from enals and tandem dienolate/enolate formation from pyrazolinones are the key for the success of this spiroannulation reaction.}, doi = {10.1021/acs.orglett.7b02085}, author = {Mondal, Santigopal and Mukherjee, Subrata and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43554, title = {Organocatalyzed efficient one-pot synthesis, biological evaluation, and molecular docking studies of 4,4-(Arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols)}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {MAR}, pages = {1109-1120}, abstract = {The synthesis of 4,4-(arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives catalyzed by ?-proline is a simple, versatile, and efficient method. In vitro antioxidant, anti-inflammatory, and antimicrobial activities of compounds 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j were studied. Furthermore, to rationalize the observed anti-inflammatory activity data, molecular docking study has been performed against COX-2 enzyme which revealed a good binding affinity for these molecules and could provide an insight into the various bonded and non-bonded interactions guiding their binding affinity.}, doi = {10.1002/jhet.2681}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay and Jha, Prakash and Badadhe, Pravin V. and Gill, Charansingh H.} } @article {44155, title = {Organo-photoredox catalyzed oxidative dehydrogenation of N-heterocycles}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {OCT}, pages = {14167-14172}, type = {Article}, abstract = {We report here for the first time the catalytic oxidative dehydrogenation of N-heterocycles by a visible-light organo-photoredox catalyst with low catalyst loading (0.1-1mol\%). The reaction proceeds efficiently under base- and additive-free conditions with ambient air at room temperature. The utility of this benign approach is demonstrated by the synthesis of various pharmaceutically relevant N-heteroarenes such as quinoline, quinoxaline, quinazoline, acridine, and indole.}, doi = {10.1002/chem.201703642}, author = {Sahoo, Manoj K. and Jaiswal, Garima and Rana, Jagannath and Balaraman, Ekambaram} } @article {44013, title = {Oviposition and feeding behaviour of Xanthopimpla pedator (Fabricius) (Hymenoptera: Ichneumonidae) on tropical tasar silkworm, Antheraea mylitta (Drury) (Lepidoptera: Saturniidae)}, journal = {Journal of Asia-Pacific Entomology}, volume = {20}, year = {2017}, month = {SEP}, pages = {977-983}, type = {Journal Article}, abstract = {Xanthopimpla pedator is a major pupal endoparasitoid of tropical tasar silkworm, Antheraea mylitta. Extensive parasitism by X. pedator results in pupal (seed) mortality and broken cocoons, which declines the wild tasar silk production. A detailed account is given on the oviposition behaviour of the female X. pedator and feeding behaviour of its immature forms in the pupa of A. mylitta. Scanning electron microscopic (SEM) details of the ovipositor of X. pedator revealed the presence of various mechano- and chemoreceptors, which regulate host discrimination and oviposition behaviour. The oviposition and feeding behaviour of X. pedator were evaluated in the field as well as in situ conditions. In addition, the invasion caused by X. pedator on A. mylitta, are also described. Host-parasitoid interactions are also discussed and recorded frame-by-frame video-graphically. The parasitoid X. pedator, arrests development and eventually the survival of A. mylitta. We also assume that parasitism by X. pedator in tasar culture is due to the microhabitat and food content of pupal host A. mylitta, which favors the development of parasitoid.}, doi = { 10.1016/j.aspen.2017.07.007}, author = {Gathalkar, G.B.}, editor = {Barsagade, D.D.} } @article {43492, title = {Oxidant mediated one-step complete conversion of multi-walled carbon nanotubes to graphene quantum dots and their bioactivity against mammalian and bacterial cells}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {JAN}, pages = {785-796}, abstract = {It is essential for any antibacterial agent (for clinical applications) that it should have high and selective toxicity towards bacterial cells only, and should not affect the human cells at the concentration used. Graphene quantum dots (GQDs) have emerged as a potential candidate for biomedical applications. However, a simple, low cost, safe, easy to execute, one-step synthesis of uniform and monodispersed GQDs with selective toxicity towards bacterial cells rather than mammalian cells is difficult to achieve. Herein, we have reported a one-step, low-cost, aqueous-phase, simple approach for the complete conversion of multi-walled carbon nanotubes into water-dispersible GQDs with an average size of similar to 3 nm using sodium bismuthate (NaBiO3) as a strong oxidant. The cyclic voltammetry and X-ray photoelectron spectroscopy results indicated that the as-synthesized GQDs suspension possess almost negligible amounts of metallic impurities. The cytotoxicity studies of GQDs against mammalian NIH 3T3 (mouse embryo fibroblast cells) and HEK 293T (human embryonic kidney cells) cells showed that the as-synthesized GQDs were non-cytotoxic up to the concentration of similar to 200 mu g mL(-1). The antimicrobial study shows that the synthesized GQDs have high and selective toxicity towards bacterial cells with a minimum inhibitory concentration of similar to 256 mu g mL(-1) for E. coli and B. subtilis and similar to 512 mu g mL(-1) for P. aeruginosa and S. aureus. The scanning electron microscopy and atomic force microscopy images show extensive cell damage via the perturbation of bacterial cell walls, which was consistent with the enhancement of reactive oxygen species production by almost two times in the bacterial cells upon incubation with similar to 256 mu g mL(-1) GQDs. Our study suggested that the as-synthesized GQDs can be used as a potential candidate for clinical applications as they possess high toxicity to bacterial cells and low toxicity to mammalian cells.}, doi = {10.1039/c6tb02446g}, author = {Biswas, Anupam and Khandelwal, Puneet and Das, Raja and Salunke, Gayatri and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Samit and Poddar, Pankaj} } @article {43309, title = {Panchromatic sensitizer for dye-sensitized solar cells: un-symmetrical squaraine dyes incorporating benzodithiophene π-spacer with alkyl chains to extend conjugation, control the dye assembly on TiO2 and retard charge recombination}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JAN}, pages = {1920{\textendash}1930}, abstract = {Metal-free near-infrared (NIR) active unsymmetrical squaraine dyes, RSQ1 and RSQ2, with benzodithiophene (BDT) π-spacer and cyanoacrylic acid acceptor were synthesized by utilizing palladium catalyzed direct (hetero)arylation reaction. Methyl and 2-ethylhexyl groups were strategically placed at the BDT unit for RSQ1 and RSQ2 respectively, to investigate the effect of alkylated π-spacer on dye aggregation on the TiO2 surface and recombination reactions at TiO2/dye/electrolyte interface. These dyes have strong absorption ( ε>10(5) M(-1)cm(-1)) in near-infra red (NIR) region and exhibit similar optical and electrochemical properties as they have same conjugated framework. RSQ2 performed better than RSQ1 owing to its higher open-circuit voltage (Voc) and fill factor (ff) in spite of having comparable short-circuit current density (Jsc). The panchromatic incident photon-to-current conversion efficiency (IPCE) response was also observed for both the dyes. RSQ2 showed power conversion efficiency (PCE) of 6.72\% with short-circuit current density (Jsc) of 18.53 mA/cm(2), open circuit voltage (Voc) of 0.538 V, and fill factor (ff) of 67.4\%, without any co-adsorbent. Attenuation of the charge recombination for RSQ2 was revealed by electrochemical impedance analysis (EIS) and open-circuit potential decay transients (OCVD), which attributes to its higher Voc and ff in comparison to RSQ1. }, doi = {10.1021/acs.joc.6b02670}, author = {Bisht, Rajesh and Munavvar, Fairoos Mk and Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {43832, title = {PbS nanostar-like structures as field emitters}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5175-5179}, type = {Article}, abstract = {

The crystalline PbS nanostars were synthesized by thermal decomposition of thioacetamide (TAA) in aqueous solutions of lead acetate and acetic acid at 80 8 degrees C. The structure and morphology of the PbS nanostars have been characterized using X-Ray Diffraction (XRD), Raman Spectroscopy, Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The optical properties of the PbS nanostars have been studied using UV-Visible absorption Spectroscopy (UVVis). The field emission investigations have been carried out on the as synthesized PbS nanostars at the base pressure of similar to 13 10(-8) mbar. The turn on field required to draw an emission current density of 1 mu A/cm(2) is found to be 1.8 V/mm. The emission current-time plots show good emission current stability of the PbS nanostar emitter over a period of 4 hrs. The results in terms of low turn-on field and long term emission current stability of the PbS nanostars emitter reveals that it can be used in field emission based vacuum microelectronics / nanoelectronic devices.

}, doi = {10.1002/slct.201700350}, author = {Pawar, Mahendra S. and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J.} } @article {45729, title = {PD@SBA-15 Nanocomposite catalyst: synthesis and efficient solvent-free semihydrogenation of phenylacetylene under mild conditions}, journal = {Microporous and Mesoporous Materials}, volume = {241}, year = {2017}, month = {MAR }, pages = {266-273}, type = {Article}, abstract = {

Pd-0 nanoparticles (NPs) have been fabricated on SBA-15 using a facile, rapid and highly reproducible microwave-assisted reduction by solvent method. The as-synthesized Pd@SBA-15 nanocomposite was well characterized using low angle and wide angle XRD, TEM, FE-SEM, N-2 adsorption-desorption isotherm, FTIR, XPS etc. The Pd@SBA-15 nanocomposite act as an active, recyclable heterogeneous catalyst for semihydrogenation of phenylacetylene under solvent-free mild reaction conditions (303 K, atmospheric H-2). A maximum of 94.4\% phenylacetylene conversion was achieved with very high selectivity for styrene (95.5\%). Moreover, the used catalyst was recovered by centrifugation and reused up to four times without significant loss in their catalytic activity. This optimized reaction protocol for phenylacetylene was also well performed in case of various other alkynes with similar or better performance. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {Pd-0 nanoparticles, Phenylacetylene, SBA-15, Semihydrogenation, Solvent-free}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.12.025}, author = {Bhuyan, Diganta and Selvaraj, Kaliaperumal and Saikia, Lakshi} } @article {43898, title = {Phenol oxidative dearomatization of modified nucleoside templates: a simple access to the c7-spiroannulated octosyl acid framework}, journal = {Synthesis-Stuttgart}, volume = {49}, year = {2017}, month = {SEP}, chapter = {4221-4228}, abstract = {

Phenol oxidative dearomatization and cyclization has been executed successfully on nucleoside templates to synthesize C7-spiroannulated perhydrofuropyran nucleosides and C6-spiroannulated perhydrofurofuran nucleosides as novel analogues of octosyl acid and related peptidyl nucleosides.

}, keywords = {Analogs, antibiotics, Biosynthesis, Chitin synthase, Derivatives, Ezomycins, Glucose Diacetonide Natural-products, Griseofulvin, Malayamycin, Modified nucleosides, Moiety, Peptidyl Glycosides, Phenol Oxidative Dearomatization, Vorbruggen Glycosylation}, issn = {0039-7881}, doi = {10.1055/s-0036-1588543}, author = {Mullapudi, Venkannababu and Bhogade, Ravindra B. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {43903, title = {Polyhydroxyalkanoates as biomaterials}, journal = {MedChemComm}, volume = {8}, year = {2017}, month = {SEP}, chapter = {1774-1787}, abstract = {

Polyhydroxyalkanoates (PHAs) are biopolymers synthesized by bacteria under unbalanced growth conditions. These biopolymers are considered as potential biomaterials for future applications because they are biocompatible, biodegradable, and easy to produce and functionalize with strong mechanical strength. Currently, PHAs are being extensively innovated for biomedical applications due to their prerequisite properties. The wide range of biomedical applications includes drug delivery systems, implants, tissue engineering, scaffolds, artificial organ constructs, etc. In this article we review the utility of PHAs in various forms (bulk/nano) for biomedical applications so as to bring about the future vision for PHAs as biomaterials for the advancement of research and technology.

}, keywords = {Biomedical Applications, Cancer-therapy, Drug-delivery Systems, In-vitro, Molecular-weight, Poly(Ester Urethane)S, poly(ethylene glycol), Regenerative Medicine, Tissue Engineering Applications, Vitro Antibiotic Release}, issn = {2040-2503}, doi = {10.1039/c7md00252a}, author = {Bhagyashri, S. and Gadgil, Thorat and Killi, Naresh and Rathna, Gundloori V. N.} } @article {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 {44129, title = { Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. part 1: lysozyme aggregation at pH 2 and 7.4}, journal = {Electrochimica Acta}, volume = {254}, year = {2017}, month = {NOV}, pages = {375-383}, type = {Article}, abstract = {Protein instability due to misfolding and aggregation is of big concern for protein based therapeutics because it impacts the bioavailability and immunogenicity of such drugs. The development of simple and cost-effective methods for the analysis of pharmaceutical formulations, indicating the presence or absence of protein aggregates, is consequently of high importance. This work proposes a novel electrochemical interface based on porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) allowing for the early and sensitive identification of protein aggregation by following the change in the oxidative current of the proteins. The novelty of this work lies in the exploration of the ability of GC/prGO interfaces to capture different aggregation behaviors. Lysozyme is used as a model to follow by electrochemistry its aggregation at two pH values, pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Comparing the oxidation peak of lysozyme by differential pulse voltammetry (DPV) for different electrode architectures allowed validating the higher sensitivity of the GC/prGO interface versus bare glassy electrodes or electrodes coated with non-porous reduced graphene oxide. Parallel experiments were performed by fluorescence with thioflavin T, size exclusion chromatography and Atomic Force Microscopy (AFM) imaging. These tests further highlighted the usefulness of GC/prGO electrode to visualize in a fast and reliable manner the changes in the protein structure and the differences between the processes occurring at pH 2 and pH 7.4. In particular, the ability to emphasize changes related to the first steps in aggregation that could be indicative of the aggregation course, recommend the GC/prGO electrode in combination with DPV as a new analytical tool for aggregation studies of biopharmaceuticals. Part 2 of this work will demonstrate later the utility of this approach for the analysis of a fast acting injectable human insulin formulation, Humulin R, used for diabetes treatment as well as for calcitonin. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.electacta.2017.09.083}, author = {Vasilescu, Alina and Boulahneche, Samia and Chekin, Fereshteh and Gaspar, Szilveszter and Medjram, Mohamed Salah and Diagne, Abdou Aziz and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43827, title = {Possibly scalable solar hydrogen generation with quasi-artificial leaf approach}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {JUL}, pages = {Article Number: 6515}, type = {Article}, abstract = {Any solar energy harvesting technology must provide a net positive energy balance, and artificial leaf concept provided a platform for solar water splitting (SWS) towards that. However, device stability, high photocurrent generation, and scalability are the major challenges. A wireless device based on quasi-artificial leaf concept (QuAL), comprising Au on porous TiO2 electrode sensitized by PbS and CdS quantum dots (QD), was demonstrated to show sustainable solar hydrogen (490 +/- 25 mu mol/h (corresponds to 12 ml H-2 h(-1)) from similar to 2mg of photoanode material coated over 1 cm(2) area with aqueous hole (S2-/SO32-) scavenger. A linear extrapolation of the above results could lead to hydrogen production of 6 L/h.g over an area of similar to 23 x 23 cm(2). Under one sun conditions, 4.3 mA/cm(2) photocurrent generation, 5.6\% power conversion efficiency, and spontaneous H-2 generation were observed at no applied potential (see S1). A direct coupling of all components within themselves enhances the light absorption in the entire visible and NIR region and charge utilization. Thin film approach, as in DSSC, combined with porous titania enables networking of all the components of the device, and efficiently converts solar to chemical energy in a sustainable manner.}, doi = {10.1038/s41598-017-06849-x}, author = {Patra, Kshirodra Kumar and Bhuskute, Bela D. and Gopinath, Chinnakonda S.} } @article {44163, title = {Potent antimicrobial activity of lipidated short alpha,gamma-hybrid peptides}, journal = {ChemMedChem}, volume = {12}, year = {2017}, month = {OCT}, pages = {1610-1615}, type = {Article}, abstract = {Herein we report the potent antimicrobial activity of alpha,gamma-hybrid lipopeptides composed of 1:1 alternating - and gamma-amino acids. Along with their potent antimicrobial activity against various Gram-positive and Gram-negative bacteria, these hybrid lipopeptides were found to be less hemolytic. Studies into the mechanism of action revealed that these short cationic lipopeptides bind and disrupt the bacterial cell membrane. Time-kill kinetics analyses revealed that the potent alpha,gamma-hybrid lipopeptides completely inhibit bacterial growth in less than 20 minutes. Overall, the promising antimicrobial activity along with lower hemolytic activity displayed by these alpha,gamma-hybrid lipopeptides make them well suited for further exploration into the design of potent lipopeptide antibiotics.}, doi = {10.1002/cmdc.201700370}, author = {Benke, Sushil N. and Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N.} } @article {43732, title = {Predesigned metal-anchored building block for in situ generation of Pd nanoparticles in porous covalent organic framework: application in heterogeneous tandem catalysis}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {APR}, pages = {13785-13792}, type = {Article}, abstract = {The development of nanoparticle-polymer-hybrid-based heterogeneous catalysts with high reactivity and good recyclability is highly desired for their applications in the chemical and pharmaceutical industries: Herein, we have developed a novel synthetic strategy by choosing a predesigned metal-anchored building block for in situ generation of metal (Pd) nanoparticles in the stable, porous, and crystalline covalent organic framework (COF), without using conventional reducing agents. In situ generation of Pd nanoparticles in the COF Skeleton is explicitly confirmed{\textquoteright} from PXRD, XPS, TEM images, and N-15 NMR spectral analysis. This hybrid material is found to be an excellent reusable heterogeneous catalyst for the synthesis of biologically and pharmaceutically important 2-substituted benzofurans from 2-bromophencils and terminal alkynes via a tandem process with the turnover number up to 1101. The heterogeneity of the catalytic process is unambiguously verified by a mercury poisoning experiment and leaching test. This hybrid material shows superior catalytic performance compared to commercially available homogeneous as well as heterogeneous Pd catalysts.}, doi = {10.1021/acsami.7b02355}, author = {Bhadra, Mohitosh and Sasmal, Himadri Sekhar and Basu, Arghya and Midya, Siba P. and Kandambeth, Sharath and Pachfule, Pradip and Balaraman, Ekambaram and Banerjee, Rahul} } @article {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 {44109, title = { Role of the pair correlation function in the dynamical transition predicted by mode coupling theory}, journal = {Physical Review Letters}, volume = {119}, year = {2017}, month = {DEC}, type = {Article}, abstract = {In a recent study, we have found that for a large number of systems the configurational entropy at the pair level S-c2, which is primarily determined by the pair correlation function, vanishes at the dynamical transition temperature T-c. Thus, it appears that the information of the transition temperature is embedded in the structure of the liquid. In order to investigate this, we describe the dynamics of the system at the mean field level and, using the concepts of the dynamical density functional theory, show that the dynamical transition temperature depends only on the pair correlation function. Thus, this theory is similar in spirit to the microscopic mode coupling theory (MCT). However, unlike microscopic MCT, which predicts a very high transition temperature, the present theory predicts a transition temperature that is similar to T-c. This implies that the information of the dynamical transition temperature is embedded in the pair correlation function.}, doi = {10.1103/PhysRevLett.119.265502}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {43787, title = {Room-temperature direct arylation of anilides under external oxidant-free conditions using CO2-Derived Dimethyl Carbonate (DMC) as a {\textquoteright}green{\textquoteright} solvent}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {7565-7569}, type = {Article}, abstract = {

Here, an efficient catalytic protocol for direct C-H bond arylation of anilides under base- and external oxidant-free conditions is reported. This reaction proceeds readily at room temperature using CO2-derived dimethyl carbonate (DMC) as a green solvent under visible-light dual catalysis. Later, application of our strategy for the gram-scale synthesis of Boscalid has been successfully shown. An unprecedented unsymmetrical bis-arylation of anilides is also demonstrated under mild, redox-neutral conditions.

}, doi = {10.1002/slct.201701108}, author = {Sahoo, Manoj K. and Rana, Jagannath and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {45708, title = {(R-X-R)(4)-Motif peptides containing conformationally constrained cyclohexane-derived spacers: effect on cellular uptake}, journal = {ChemMedChem}, volume = {12}, year = {2017}, month = {NOV }, pages = {1743-1747}, type = {Article}, abstract = {

Arginine-rich peptides having the (R-X-R) n motif are among the most effective cell-penetrating peptides (CPPs). Herein we report a several-fold increase in the efficacy of such CPPs if the linear flexible spacer (-X-) in the (R-X-R) motif is replaced by constrained cyclic 1,4-substituted-cyclohexane-derived spacers. Internalization of these oligomers in mammalian cell lines was found to be an energy-dependent process. Incorporation of these constrained, non-proteinogenic amino acid spacers in the CPPs is shown to enhance their proteolytic stability.

}, keywords = {(R-X-R)-motif, cell-penetrating peptides, cellular uptake, protease stability}, issn = {1860-7179}, doi = {10.1002/cmdc.201700498}, author = {Bhosle, Govind S. and Fernandes, Moneesha} } @article {43934, title = {Scalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceum induced by NAD(+)/NADH(+) imbalanceA scalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceu}, journal = {BMC Syst Biol. }, volume = {11}, year = {2017}, month = {APR}, abstract = {

BACKGROUND: The leading edge of the global problem of antibiotic resistance necessitates novel therapeutic strategies. This study develops a novel systems biology driven approach for killing antibiotic resistant pathogens using benign metabolites. RESULTS: Controlled laboratory evolutions established chloramphenicol and streptomycin resistant pathogens of Chromobacterium. These resistant pathogens showed higher growth rates and required higher lethal doses of antibiotic. Growth and viability testing identified malate, maleate, succinate, pyruvate and oxoadipate as resensitising agents for antibiotic therapy. Resistant genes were catalogued through whole genome sequencing. Intracellular metabolomic profiling identified violacein as a potential biomarker for resistance. The temporal variance of metabolites captured the linearized dynamics around the steady state and correlated to growth rate. A constraints-based flux balance model of the core metabolism was used to predict the metabolic basis of antibiotic susceptibility and resistance. CONCLUSIONS: The model predicts electron imbalance and skewed NAD/NADH ratios as a result of antibiotics - chloramphenicol and streptomycin. The resistant pathogen rewired its metabolic networks to compensate for disruption of redox homeostasis. We foresee the utility of such scalable workflows in identifying metabolites for clinical isolates as inevitable solutions to mitigate antibiotic resistance.

}, keywords = {Antibiotic resistance; Flux balance analysis; Flux variability analysis; Metabolism; Metabolomic; NAD; NADH; Redox homeostasis}, doi = {10.1186/s12918-017-0427-z}, author = {Banerjee, Deepanwita and Parmar, Dharmeshkumar and Bhattacharya, Nivedita and Ghanate, Avinash D. and Panchagnula, Venkateswarlu and Raghunathan, Anu} } @article {43726, title = {Secondary interactions arrest the hemiaminal intermediate to invert the modus operandi of schiff base reaction: a route to benzoxazinones}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4342-4351}, type = {Article}, abstract = {Discovered by Hugo Schiff, condensation between amine and aldehyde represents one of the most ubiquitous reactions in chemistry. This classical reaction is widely used to manufacture pharmaceuticals and fine chemicals. However, the rapid and reversible formation of Schiff base prohibits formation of alternative products, of which benzoxazinones are an important class. Therefore, manipulating the reactivity of two partners to invert the course of this reaction is an elusive target. Presented here is a synthetic strategy that regulates the sequence of Schiff base reaction via weak secondary interactions. Guided by the computational models, reaction between 2,3,4,5,6-pentafluoro-benzaldehyde with 2-amino-6methylbenzoic acid revealed quantitative (99\%) formation of 5-methyl-2-(perfluoropheny01,2-dihydro-4H-benzo[d][1,3]oxazin-4-one (15). Electron donating and electron withdrawing ortho-substituents on 2-aminobenzoic acid resulted in the production of benzoxazinones 936. The mode of action was tracked using low temperature NMR, IN vis spectroscopy, and isotopic (O-18) labeling experiments. These spectroscopic mechanistic investigations revealed that the hemiaminal intermediate is arrested by the hydrogen-bonding motif to yield benzoxazinone. Thus, the mechanistic investigations and DFT calculations categorically rule out the possibility of in situ imine formation followed by ring-closing, but support instead hydrogen-bond assisted ring-closing to prodrugs. This unprecedented reaction represents an interesting and competitive alternative to metal catalyzed and classical methods of preparing benzoxazinone.}, doi = {10.1021/acs.joc.7b00352}, author = {Patel, Ketan and Deshmukh, Satej S. and Bodkhe, Dnyaneshwar and Mane, Manoj and Vanka, Kumar and Shinde, Dinesh and Rajamohanan, Pattuparambil R. and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Chikkali, Samir H.} } @article {44144, title = {Selective isolation and eradication of E. coli associated with urinary tract infections using anti-fimbrial modified magnetic reduced graphene oxide nanoheaters}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {OCT}, pages = { 8133-8142}, type = {Article}, abstract = {The fast and efficient elimination of pathogenic bacteria from water, food or biological samples such as blood remains a challenging task. Magnetic isolation of bacteria from complex media holds particular promise for water disinfection and other biotechnological applications employing bacteria. When it comes to infectious diseases such as urinary tract infections, the selective removal of the pathogenic species in complex media such as human serum is also of importance. This issue can only be accomplished by adding pathogen specific targeting sites onto the magnetic nanostructures. In this work, we investigate the potential of 2-nitrodopamine modified magnetic particles anchored on reduced graphene oxide (rGO) nanocomposites for rapid capture and efficient elimination of E. coli associated with urinary tract infections (UTIs) from water and serum samples. An optimized magnetic nanocarrier achieves a 99.9\% capture efficiency even at E. coli concentrations of 1 x 10(1) cfu mL(-1) in 30 min. In addition, functionalization of the nanostructures with poly(ethylene glycol) modified pyrene units and anti-fimbrial E. coli antibodies allowed specific elimination of E. coli UTI89 from serum samples. Irradiation of the E. coli loaded nanocomposite with a near-infrared laser results in the total ablation of the captured pathogens. This method can be flexibly modified for any other pathogenic bacteria, depending on the antibodies used, and might be an interesting alternative material for a magnetic-based body fluid purification approach.}, doi = {10.1039/c7tb01890h}, author = {Halouane, Fatima and Jijie, Roxana and Meziane, Dalila and Li, Chengnan and Singh, Santosh K. and Bouckaert, Julie and Jurazek, Jean and Kurungot, Sreekumar and Barras, Alexandre and Li, Musen and Boukherroub, Rabah and Szunerits, Sabine} } @article {43995, title = {Selective molecular separation by interfacially crystallized covalent organic framework thin films}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {SEP}, pages = {13083-13091}, type = {Journal Article}, abstract = {Exponential interest in the field of covalent organic frameworks (COFs) stems from the direct correlation between their modular design principle and various interesting properties. However, existing synthetic approaches to realize this goal mainly result in insoluble and unprocessable powders, which severely restrict their widespread applicability. Therefore, developing a methodology for easy fabrication of these materials remains an alluring goal and a much desired objective. Herein, we have demonstrated a bottom-up interfacial crystallization strategy to fabricate these microcrystalline powders as large-scale thin films under ambient conditions. This unique design principle exploits liquid-liquid interface as a platform, allowing simultaneous control over crystallization and morphology of the framework structure. The thin films are grown without any support in free-standing form and can be transferred onto any desirable substrate. The porous (with Tp-Bpy showing highest SBET of 1a151 m2 g-1) and crystalline thin films, having high chemical as well as thermal stability, also hold the merit to tune the thickness as low as sub-100 nm. These nanostructured thin COF films demonstrate remarkable solvent-permeance and solute-rejection performance. A prominent instance is the Tp-Bpy thin film, which displays an unprecedented acetonitrile permeance of 339 L m-2 h-1 bar-1.}, doi = { 10.1021/jacs.7b06640}, author = {Dey, K. and Das, A and Mukherjee, R. and Kharul, U. K. and Banerjee, R.}, editor = {Pal, M.} } @article {45656, title = {Selective molecular sieving in self-Standing porous covalent-Organic-framework membranes}, journal = {Advanced Materials}, volume = {2}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Self-standing, flexible, continuous, and crack-free covalent-organic-framework membranes (COMs) are fabricated via a simple, scalable, and highly cost-effective methodology. The COMs show long-term durability, recyclability, and retain their structural integrity in water, organic solvents, and mineral acids. COMs are successfully used in challenging separation applications and recovery of valuable active pharmaceutical ingredients from organic solvents.}, doi = {10.1002/adma.201603945}, author = {Kandambeth, S. and Biswal, B. P. and Chaudhari, H. D. and Rout, K. C. and Kunjattu, H. S. and Mitra, S. and Karak, S. and Das, A. and Mukherjee, R. and Kharul, U. K. and Banerjee, R.} } @article {44406, title = {Self-assembly of fluorinated sugar amino acid derived alpha,gamma-cyclic peptides into transmembrane anion transport}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {NOV}, pages = {5948-5951}, abstract = {Syntheses of fluorinated sugar amino acid derived alpha,gamma-cyclic tetra- and hexapeptides are reported. The IR, NMR, ESI-MS, CD, and molecular modeling studies of cyclic tetra- and hexapeptides showed C-2 and C-3 symmetric flat oval- and triangular-ring shaped, beta-strand conformations, respectively, which appear to self assemble into nanotubes. The alpha,gamma-cyclic hexapeptide (EC50 = 2.14 mu M) is found to be a more efficient ion transporter than alpha,gamma-cyclic tetrapeptide (EC50 = 14.75 mu M). The anion selectivity and recognition of alpha,gamma-cyclic hexapeptide with NO3- ion is investigated.}, doi = {10.1021/acs.orglett.7b02942}, author = {Burade, Sachin S. and Saha, Tanmoy and Bhuma, Naresh and Kumbhar, Navanath and Kotmale, Amol and Rajamohanan, Pattuparambil R. and Gonnade, Rajesh G. and Talukdar, Pinaki and Dhavale, Dilip D.} } @article { ISI:000371453700057, title = {Self-exfoliated guanidinium-based ionic covalent organic nanosheets (iCONs)}, journal = {Journal of the American Chemical Society}, volume = {138}, number = {8}, year = {2017}, month = {MAR}, pages = {2823-2828}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Covalent organic nanosheets (CONs) have emerged as functional two-dimensional materials for versatile applications. Although pi-pi stacking between layers, hydrolytic instability, possible restacking prevents their exfoliation on to few thin layered CONs from crystalline porous polymers. We anticipated rational designing of a structure by intrinsic ionic linker could be the solution to produce self-exfoliated CONs without external stimuli. In an attempt to address this issue, we have synthesized three self-exfoliated guanidinium halide based ionic covalent organic nanosheets (iCONs) with antimicrobial property. Self-exfoliation phenomenon has been supported by molecular dynamics (MD) simulation as well. Intrinsic ionic guanidinium unit plays the pivotal role for both self-exfoliation and antibacterial property against both Gram-positive and Gram-negative bacteria. Using such iCONs, we have devised a Mixed matrix membrane which could be useful for antimicrobial coatings with plausible medical benefits.

}, issn = {0002-7863}, doi = {10.1021/jacs.5b13533}, author = {Mitra, Shouvik and Kandambeth, Sharath and Biswal, Bishnu P. and Khayum, Abdul M. and Choudhury, Chandan Kumar and Mehta, Mihir R. and Kaur, Gagandeep and Banerjee, Subhrashis and Prabhune, Asmita and Verma, Sandeep and Roy, Sudip and Kharul, Ulhas K. and Banerjee, Rahul} } @article {44571, title = {Silver sequestration of halides for the activation of Pd(OAc) 2 catalyzed Mizoroki-Heck reaction of 1,1 and 1,2 - Disubstituted alkenes: Ag Sequestration for Pd catalyzed Heck reaction- disubstituted alkenes}, journal = {Applied Organometallic Chemistry}, volume = {32}, year = {2017}, month = {NOV}, pages = {e4159}, abstract = {A ligand free catalytic system consisting of Pd(OAc)2 (cat) and stoichiometric quantities of silver salts, AgOAc or AgBF4, exhibit high efficiency in the Mizoroki-Heck arylation, transforming aryl iodides and 1,1 as well as 1,2 disubstituted alkenes into 1,1,2 {\textendash} trisubstituted aryl alkenes in excellent yields in very short reaction times.}, keywords = {1, 1-disubstituted alkenes, 2-disubstituted alkenes, AgBF4, AgOAc, Mizoroki-Heck reaction}, issn = {0268-2605}, doi = {10.1002/aoc.4159}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil and Patil, Dharmaraj and Iyer, Suresh} } @article {43894, title = {Simple cobalt(II) chloride catalyzed N-alkylation of amines with alcohols}, journal = {Synthesis-Stuttgart }, volume = {49}, year = {2017}, month = {SEP}, pages = {3957-3961}, type = {Journal Article}, chapter = {3957-3961}, abstract = {

A facile cobalt-catalyzed N-alkylation of amines with alcohols using inexpensive, commercially available CoCl2 center dot 6H(2)O is reported. Employing this readily available cobalt catalyst, a variety of amines with wide functional group tolerance were selectively alkylated under benign conditions.

}, keywords = {(Hetero)Aromatic Amines, Alcohols, Amination, amines, Anilines, Aromatic-amines, Cobalt Catalysis, Dehydrogenation Borrowing Hydrogen, Efficient Catalysts, Hydrogen Autotransfer, Iridium, N-alkylation, Pincer-complex, Secondary Alcohols, Selective Alkylation}, issn = {0039-7881}, doi = {10.1055/s-0036-1589064}, author = {Midya, Siba P. and Mondal, Akash and Begum, Ayesha and Balaraman, Ekambaram} } @article {45723, title = {Single cell fabrication towards the realistic evaluation of a CNT-strung ZIF-derived electrocatalyst as a cathode material in alkaline fuel cells and metal-air batteries}, journal = {ChemElectroChem}, volume = {4}, year = {2017}, month = {NOV}, pages = {2928-2933}, type = {Article}, abstract = {

The development of an electrocatalyst possessing all the vital requisites of an ideal electrode material, such as high porosity, high conductivity, and high intrinsic electrochemical activity, holds a decisive key in determining the activity of the triplephase boundary in many energy devices like fuel cells and metal-air battery systems. In the present work, highly porous cobalt-based ZIFs are strung along the highly conducive CNT backbone by using a simple one-pot technique at room temperature, which is then utilized to derive a porous, corrosion-resistant, Co nanoparticle-embedded electrocatalyst. Herein, for the first time, the single cell performance of the Co-ZIF-67-derived electrocatalyst has been evaluated by fabricating membrane electrode assemblies of alkaline exchange membrane fuel cell (AEMFC) and zinc-air battery (ZAB) systems. A maximum power density of 296 mW/cm(2) (vs. 317 mW/cm(2) for 40 wt.\% Pt/C) and 60 mW/cm(2) (vs. 64 mW/cm(2) for 40 wt.\% Pt/C) in the single cells of ZAB and AEMFC systems, respectively, establishes the practical proficiency of the homemade electrocatalyst for cathode applications during realistic system-level validations.

}, keywords = {Batteries, Carbon nanotubes, Composite materials, fuel cells, metal-organic frameworks}, issn = {2196-0216}, doi = {10.1002/celc.201700562}, author = {Aiyappa, Harshitha Barike and Bhange, Siddheshwar N. and Sivasankaran, Vijitha P. and Kurungot, Sreekumar} } @conference {45710, title = {Solubility limits of ceria-zirconia-lanthana solid-solutions}, booktitle = {International Conference on Recent Trends in Engineering and Material Sciences (ICEMS)}, year = {2017}, month = {MAR}, publisher = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, address = {Jaipur, India}, abstract = {

We demonstrate, the solubility limits of Ceria-Zirconia-Lanthana (CZLa) solid-solutions with the increase in heat-treatment temperature from 600 degrees C to 1300 degrees C. CZLa nano-crystalline samples were successfully synthesized by EDTA-Citrate complex method and were characterized by Raman Spectroscopy (RS) and Transmission Electron Microscopy (TEM) analysis. With an increase in temperature, it is noticed that the solubility limit is decreased in CZLa system. At 600 degrees C, a very good solubility is observed in CZLa system and is confirmed from RS analysis. At higher heat-treatment temperatures (1000 and 1300 degrees C), with an increase in La content, Zr precipitated in the CZLa system and is confirmed from RS analysis. The reason for such kind of behavior in this CZLa system is clearly explained in this work. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Ceria-Zirconia Lanthana, EDTA-Citrate method, Raman spectroscopy, solubility limit, XRD}, author = {Abbas, Zenab and Surendran, Mythili and Anjana, P. A. and Jidev, P. K. and Dasari, Harshini and Naidu, Sudhakar N. and Anandhan, S. and Bhat, Udaya K. and Babu, Uday Bhaskar G. and Dasari, Hari Prasad} } @article {43892, title = {Sorption of metaldehyde using granular activated carbon}, journal = {Journal of Water Reuse and Desalination}, volume = {7}, year = {2017}, month = {SEP}, chapter = {280-287}, abstract = {

In this work, the ability of granular activated carbon (GAC) to sorb metaldehyde was evaluated. The kinetic data could be described by an intra-particle diffusion model, which indicated that the porosity of the sorbent strongly influenced the rate of sorption. The analysis of the equilibrium sorption data revealed that ionic strength and temperature did not play any significant role in the metaldehyde uptake. The sorption isotherms were successfully predicted by the Freundlich model. The GAC used in this paper exhibited a higher affinity and sorption capacity for metaldehyde with respect to other GACs studied in previous works, probably as a result of its higher specific surface area and high point of zero charge.

}, keywords = {Degradation, Diffusion-controlled Sorption, Environmental Pollution, Granular Activated Carbon, Metaldehyde, Sorption Adsorption}, issn = {2220-1319}, doi = {10.2166/wrd.2016.074}, author = {Salvestrini, S. and Vanore, P. and Bogush, A. and Mayadevi, S. and Campos, L. C.} } @article {43693, title = {Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence}, journal = {Journal of Structural Biology}, volume = {198}, year = {2017}, month = {MAy}, pages = {134-146}, type = {Article}, abstract = {In Streptomycetes, tetracycline repressor family of transcription regulators (TetR-FTRs) controls various biological processes including antibiotic biosynthesis, cellular morphology and innate resistance. Here, we focus on understanding the structural basis of transcription regulation by CprB, a member of TetR-FTRs from S. coelicolor. CprB is implicated as a receptor of gamma-butyrolactones, a class of quorum sensing molecules, responsible for initiating secondary metabolic pathways. In order to understand the molecular mechanism of DNA recognition, the X-ray structure of CprB in complex with its biological relevant operator sequence was solved to a resolution of 3.95 angstrom. Furthermore, to refine and compliment the results, atomistic molecular dynamics simulations were carried out using the X-ray structure as the template. The studies reveal that CprB binds to DNA as dimer of dimers with this mode of interaction results in minimal distortion in the DNA, enabling these proteins to recognize multiple sequences with varying affinity. Another crucial finding from our simulation results was that the positively charged N-terminal arm of CprB brings extra stability to the protein-DNA complex by interacting with the minor-groove of the DNA and anchoring itself to the phosphate backbone. Corroborating electrophoretic mobility shift assay and fluorescence anisotropy experiments showed that the mutant AN6-CprB exhibited about 7-8 fold reduced DNA binding. Comparison with other TetR-FTRs reveals that this strategy is also employed by over 25\% of TetR-FTRs, where N-terminal anchoring mechanism is used to enhance selectivity for a particular DNA sequence. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jsb.2017.03.006}, author = {Bhukya, Hussain and Jana, Asis K. and Sengupta, Neelanjana and Anand, Ruchi} } @article {43996, title = {Structural insights into the hydrogen-bonding and folding pattern in ant-ant-pro-gly tetrapeptides}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {MAY}, pages = {2944{\textendash}2949}, type = {Article}, abstract = {In this paper, we provide structural insights into the hydrogen-bonding and folding pattern in Ant-Ant-Pro-Gly tetrapeptides (Ant: anthranilic acid; Pro: proline; and Gly: glycine). Comparison of the C-terminal esters and their amide analogs revealed strikingly different H-bonding networks. Whereas the ester analogs displayed an open structure without terminal H-bonding interactions, the amide analogs showed a completely folded structure. Structural details were revealed by using a combination of X-ray crystal structure studies and NOE-based molecular dynamics (MD) simulation studies.}, doi = {10.1002/ejoc.201700181}, author = {Baravkar, Sachin B. and Kotmale, Amol S. and Mobin, Samir R. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {45699, title = {Structure-function relationship of a bio-pesticidal trypsin/chymotrypsin inhibitor from winged bean}, journal = {International Journal of Biological Macromolecules}, volume = {96}, year = {2017}, month = {MAR}, pages = {532-537}, type = {Article}, abstract = {

Protease inhibitors are essential bio-molecules that serve as a model system for the study of protein structure and protease-protease inhibitor interaction. We here report a bi-functional serine protease inhibitor from winged bean (WBCTI) that completely retains its inhibitory property against trypsin and chymotrypsin even after heating at 70 degrees C. Detailed circular dichroism and fluorescence studies at different temperatures, 30-90 degrees C, have been performed to understand the reason behind thermal stability of the protein. On the basis of our results it appears that WBCTI maintains its canonical structure up to 70 degrees C. Above that the heat induced conformational change becomes irreversible which causes aggregation followed by precipitation of the protein. Moreover, the activity and stability of the secondary structure are found to decrease drastically in presence of dithiothreitol indicating that the protein acquires additional stability for the occurrence of two disulfide bonds. In addition to the structural characterization, an important property of WBCTI against the polyphagous pest Helicoverpa armigera has been explored in present study. WBCTI has showed reasonable inhibition of the mid-gut proteases of H. armigera. In artificial feeding trial through addition of WBCTI in diet resulted in significant growth retardation, delayed pupae formation and higher mortality of H. armigera larvae. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Disulfide reduction, Heat stable, Pesticidal, Trypsin/Chymotrypsin inhibitor, Winged bean}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.12.018}, author = {Banerjee, Sayanika and Giri, Ashok P. and Gupta, Vidya S. and Dutta, Samir Kumar} } @conference {44414, title = {Studies on use of sodium poly acrylate (SPA) for low salt animal skinpreservation}, booktitle = { IULTCS CONGRESS 2017}, year = {2017}, month = {FEB}, publisher = {Central Leather Research Institute}, organization = {Central Leather Research Institute}, address = { ITC CHOLA , CHENNAI}, abstract = {In this study, commercial sodium poly acrylate (SPA) is used along with sodium chloride for low salt skin preservation. SPA is a super-absorbent polymer which can absorb water many times of its own weight.}, author = {Sandhya, K. V. and Brindha, Velappan and Abinandan, Sudharsanam and Vedaraman, N. and John, Sundar V. and Suresha, P. R. and Badiger, Manohar and Chinnaraj, Velappan kandukalpatti and Muralidharan, C.} } @article {43818, title = {Supramolecular synthons in bumetanide cocrystals and ternary products}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {AUG}, pages = {4225-4236}, type = {Article}, abstract = {A novel design strategy for cocrystals of the diuretic sulfonamide drug bumetanide (BUM) with carboxamides is reported based on reliable supramolecular synthons. Binary cocrystals of BUM with pyridine carboxamides, pyridones, and cytosine were obtained by solvent assisted grinding followed by solution crystallization. All cocrystal structures exhibit hydrogen bonding of the coformer with the carboxylic acid group of BUM via heterosynthons which replace the acid homodimer in the drug crystal structure. Pyridones are inserted as N-H center dot center dot center dot O dimers which are in turn bonded to the acid group of BUM, while the pyridine amide coformers interact via the acid amide heterosynthon. Cocrystal polymorphs were obtained for bumetanide isonicotinamide cocrystal structure with the sulfonamide pyridine and sulfonamide acid synthons. Careful crystal packing analysis of BUM structure and nine new binary adducts gave an idea for the design ternary cocrystals, and subsequently four new ternary crystalline products were crystallized. Whereas the binary cocrystal structures were confirmed by single crystal diffraction, the ternary combinations were chatacterized by their unique powder X-ray diffraction patterns as well as by thermal and spectroscopic techniques.}, doi = {10.1021/acs.cgd.7b00531}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini} } @article {45753, title = {Surface disordered rutile TiO2-graphene quantum dot hybrids: a new multifunctional material with superior photocatalytic and biofilm eradication properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {APR}, pages = {2642-2657}, type = {Article}, abstract = {The controlled introduction of defects in semiconductors has contributed to the development of electronic devices and technologies. Recently, chemical control over defects, formation of new hybrid materials and multifunctional nanostructures have been sought in energy, health, and environment related technologies. Surface-disordered anatase-TiO2 has received wide attention due to its exceptional photocatalytic performance. Herein, we demonstrate, for the first time, a one-step aqueous-phase synthesis of a surface-disordered rutile TiO2-graphene quantum dot (TG) hybrid material. The TG-hybrid is a rutile-TiO2 matrix in which homogeneous in situ insertion of GQDs occurs during the growth of the TiO2 particles. The TG-hybrid material showed superior photocatalytic performance with similar to 98\% solar light driven photo-degradation of methylene blue (MB) dye within 6 min and similar to 86\% of rhodamine-B (RhB) within 4 min which is much better than the photocatalytic performance shown by the rutile-TiO2 (similar to 30\% and similar to 20\%, respectively) and GQDs (similar to 15\% and similar to 8\%, respectively), themselves. Moreover, the TG-hybrid also showed enhanced toxicity to Gram-positive (S. aureus) as well as Gram-negative (E. coli, P. aeruginosa) bacterial cells. The growth-curves of E. coli cells, after incubating them with increasing concentrations of the TG-hybrid, showed that the TG-hybrid could effectively inhibit the growth of E. coli cells at a concentration of 60 mu g mL(-1). The effect of UV-light exposure on the bacterial-biofilm disruption by the TG-hybrid material was also investigated. It was observed that in the presence of UV-light, the biofilm disruption done by the TG-hybrid was larger in comparison to the TiO2 and GQDs alone, under the same conditions. The increase in the formation of reactive oxygen species (ROS) in the presence of sunlight for the TG-hybrid may be the reason behind its superior antibacterial and biofilm eradication properties. We believe that the TG-hybrid material will have applications in energy, health and environment related technologies.}, doi = { 10.1039/c6nj03607d}, author = {Biswas, A. and Salunke, G. and Khandelwal, P. and Das, R. and Poddar, P.} } @article {44008, title = {Syntheses and single crystal X-ray diffraction studies of hydroxynicotinic acid based complexes involving supramolecular interactions}, journal = {Polyhedron}, volume = {133}, year = {2017}, month = {SEP}, pages = {222-230}, type = {Journal Article}, abstract = {Aqua-bridged coordination polymers of Cu(II) and Cd(II) and a mononuclear complex of Cu(II) were solvothermally synthesized with hydroxy-decorated ligands such as 2-hydroxynicotinic acid (2-OHNAH) and 6-hydroxynicotinic acid (6-OHNAH) in aqueous-nonaqueous mixed media. All these complexes were characterized by elemental analyses (C, H, N), FT-IR, thermogravimetric analysis (TGA), powder XRD and single crystal X-ray crystallography. They are formulated as [Cu(2-OHNA)2] 1, [Cu(6-OHNA)2(μ-H2O)2]n 2 and [Cd(6-OHNA)2(μ-H2O)2]n 3. Complex 1 is mononuclear 0D square planar complex which extends its dimensionality by weak supramolecular interactions such as π{\textendash}π stacking interactions and intermolecular hydrogen bonding. Complexes 2 and 3 are polymeric aqua-bridged 1D infinite chain of Cu(II) and Cd(II), respectively. The central metal ions in these two complexes are in octahedral coordination environment. These two complexes are also assembled by π{\textendash}π stacking interactions, inter- and intramolecular hydrogen bonding interactions. }, keywords = {2-Hydroxynicotinic Acid, 6-Hydroxynicotinic Acid, Coordination polymer, Polymeric Aqua-Bridged, X-ray diffraction}, doi = { 10.1016/j.poly.2017.05.041}, author = {Singh, S.K.}, editor = {Srivastava, K.} } @article {43671, title = {Synthesis and antimycobacterial screening of new thiazolyl-oxazole derivatives}, journal = {European Journal of Medicinal Chemistry}, volume = {132}, year = {2017}, month = {MAY}, pages = {333-340}, type = {Article}, abstract = {

In the present study a series of 4-methyl-2-aryl-5-(2-aryl/benzyl thiazol-4-yl) oxazole (4a-v) have been synthesized and evaluated for their preliminary antitubercular, antimicrobial and cytotoxicity activity. Among all the synthesized compounds, 4v reported comparable activity against dormant M. tuberculosis H37Ra and M. bovis BCG strains with respect to standard drug rifampicin. The active compounds from the antitubercular study were further tested for anti-proliferative activity against HeLa, A549 and PANC-1 cell lines using MU assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activities with MIC range of 2.1-26.8 mu g/mL. High potency, lower cytotoxicity and promising antimycobacterial activity suggested that these compounds could serve as good leads for further optimisation and development. (C) 2017 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2017.03.065}, author = {Abhale, Yogita K. and Sasane, Amit V. and Chavan, Abhijit P. and Shekh, Saddam Husen and Deshmukh, Keshav K. and Bhansali, Sujit and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {43261, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocycl- yl-2,6-dicyanoanilines}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {DEC}, pages = {979-988}, abstract = {

Synthesis of 3,4,5-triheterocyclyl-2,6-dicyanoanilines, starting from heterocyclic aldehydes and 1,2-diheterocycle-substituted ethanones, is described. 2,6-Dicyanoanilines with one or two heterocyclic substituents have also been synthesized. It was found that some of these molecules have selective cell-staining properties useful for cell imaging applications. The compounds 1g, 10f and 11 were found to stain cytoplasm of the cells in contact but not the nucleus while the compound 12 showed affinity to apoptotic cells resulting in blue fluorescence. The cell imaging results with compound 12 were similar to Annexin V-FITC, a known reagent containing recombinant Annexin V conjugated to green-fluorescent FITC dye, used for detection of apoptotic cells. These compounds were found to be non-cytotoxic and have potential application as cell imaging agents.

}, doi = {10.1016/j.bmcl.2016.12.074}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Dipak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {43792, title = {Synthesis, characterization and electrochemical investigations of mixed-ligand copper(II)-organic supramolecular frameworks}, journal = {Journal of Molecular Structure}, volume = {1147}, year = {2017}, month = {NOV}, pages = {549-557}, type = {Article}, abstract = {

Two mixed-ligand copper(II)-organic coordination compounds with 5,5{\textquoteright}-dimethyl-2,2{\textquoteright}-bipyridine (5,5{\textquoteright}-Me(2)bpy) as a primary ligand while aliphatic malonate (Hmal) and aromatic 2-hydroxynicotinate (2-OHNA) as secondary ligands, were synthesized. These complexes are formulated as: [Cu(Hmal)(5,5{\textquoteright}-Me(2)bPY)(H2O)](ClO4) 1 and [Cu-2(2-OHNA)(2)(5,5{\textquoteright}-Me(2)bpy)(2)(NO3)KNO3) 2. These two complexes were structurally characterized by single crystal X-ray diffraction analysis. Characterization was further supported by powder X-ray diffraction analysis, elemental analyses, FT-IR, FAB-MASS and TGA, DSC studies. Cyclic voltammetric and UV-visible spectral studies of these two complexes have also been done. The electrochemical studies of complex 1 in DMSO and DMF have shown that this complex undergoes quasi reversible diffusion-controlled one-electron transfer reaction without any chemical complication while complex 2 in DMSO undergoes quasi-reversible diffusion-controlled one electron transfer reaction, following EC mechanism. The electrochemical behaviour of complex 2 in DMF is complicated probably due to presence of more than one species in solution phase. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {2 {\textquoteright}-bipyridine, 3, 5, 5 {\textquoteright}-dimethyl-2, 5-Tricarboxylic acid, Benzene-1, classification, Co-ordination-Compounds, Crystal-structures, cyclic voltammetry, magnetic properties, metal organic framework, Mixed-ligand complex, pi-pi stacking interaction, Polymers, Secondery Building Unit, Structural data, Supramolecular framework, Ternare Komplexe, X-ray diffraction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.06.128}, author = {Singh, Sandeep K. and Srivastava, Ashish Kumar and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {43924, title = {Synthesis of copper nanoparticles in presence of surfactants and evaluation of heat transfer performance of copper nanofluid}, journal = {Journal of Nanofluids}, volume = {6}, year = {2017}, month = {APR}, pages = {334-342}, type = {Article}, abstract = {

Copper nanoparticles were synthesized by reduction of copper nitrate hexahydrate using glucose as a green reducing agent. Effect of various synthesis parameters such as the amount of reducing agent, type of surfactant, the concentration of surfactant on particle size and morphology has been studied. Particles thus synthesized were characterized using analytical tools like X-ray Diffraction (XRD), Dynamic Light Scattering (DLS) and Scanning Electron Microscopy (SEM). XRD results show copper peaks at 2 angles 43.34, 50.48 and 74.19{\textdegree} corresponding to the planes (111), (200) and (220) respectively and possessing FCC (Face Centred Cubic) crystal lattice and polydispersed particles with crystallite size ranging from 43 to 103 nm. Further Cu nanoparticles were dispersed in water to prepare nanofluid and heat transfer properties such as heat transfer coefficient, viscosity and density were evaluated. Nanofluid models proposed elsewhere were also used for theoretical property evaluations. Nearly 100\% increase in heat transfer coefficient was observed at 1\% (by volume) particle concentration of copper nanoparticles in water.

}, keywords = {Chemical Reduction, Copper nanoparticles, green synthesis, Nanofluids, surfactant}, issn = {2169-432X}, doi = {doi.org/10.1166/jon.2017.1316}, author = {Kapadnis, Chetan V. and Gundeli, Kartik P. and Saini, Daulat R. and Bhatkhande, Dhananjay S.} } @article {43526, title = {Synthesis of extended conjugated indolyl chalcones as potent anti-breast cancer, anti-inflammatory and antioxidant agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {APR}, pages = {1502-1507}, abstract = {In the present investigation, synthesis of a series of extended conjugated delta-chloro-alpha-cyano substituted indolyl chalcones (5a-p) was accomplished by reacting 3-cyanoacetylindole 2 with 3-chloro-3-phenylpropenal 4 in the presence of piperidine. The structural interpretations of newly synthesized compounds were based on chemical and spectroscopic evidences. Anti-tumor evaluation of the synthesized compounds in vitro against MCF-7 (breast carcinoma) cell line revealed that they possess high anti-tumor activities. Among them, compound 5e and 5a demonstrated excellent activity against breast carcinoma (GI(50) <0.1 and mu M respectively) as good as adriamycin (GI(50) <0.1 mu M). The compounds were also screened against the normal Vero monkey cell line, which showed moderate selectivity against inhibition of cancer cells. The effect of extended conjugation on activity authenticated by comparing activity profile of compound 5a, 5i and 5m with their simple analogues. Among the synthesized compounds, 5i and 51 were found to be active anti-inflammatory agents in addition to having noteworthy antioxidant potential. These results suggest the possible use of these compounds for the design and development of novel anti breast cancer agents. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2017.02.052}, author = {Bhale, Pravin S. and Chavan, Hemant V. and Dongare, Sakharam B. and Shringare, Sadanand N. and Mule, Yoginath B. and Nagane, Samadhan S. and Bandgar, Babasaheb P.} } @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 {43533, title = {Targeted drug delivery in covalent organic nanosheets (CONs) via sequential postsynthetic modification}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {MAR}, pages = {4513-4520}, abstract = {Covalent organic nanosheets (CONs) have emerged as a new class of functional two-dimensional (2D) porous organic polymeric materials with a high accessible surface, diverse functionality, and chemical stability. They could become versatile candidates for targeted drug delivery. Despite their many advantages, there are limitations to their use for target specific drug delivery. We anticipated that these drawbacks could be overturned by judicious postsynthetic modification steps to use CONs for targeted drug delivery. The postsynthetic modification would not only produce the desired functionality, it would also help to exfoliate to CONs as well. In order to meet this requirement, we have developed a facile, salt-mediated synthesis of covalent organic frameworks (COFs) in the presence of p-toluenesulfonic acid (PTSA). The COFs were subjected to sequential postsynthetic modifications to yield functionalized targeted CONs for targeted delivery of 5-fluorouracil to breast cancer cells. This postsynthetic modification resulted in simultaneous chemical delamination and functionalization to targeted CONs. Targeted CONs showed sustained release of the drug to the cancer cells through receptor mediated endocytosis, which led to cancer cell death via apoptosis. Considering the easy and facile COF synthesis, functionality based postsynthetic modifications, and chemical delamination to CONs for potential advantageous targeted drug delivery, this process can have a significant impact in biomedical applications.}, doi = {10.1021/jacs.7b00925}, author = {Mitra, Shouvik and Sasmal, Himadri Sekhar and Kundu, Tanay and Kandambeth, Sharath and Math, Kavya and Diaz Diaz, David and Banerjee, Rahul} } @article {43928, title = {Template -free assembly in living bacterial suspension under an external electric field}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAR}, pages = {1019-1024}, type = {Journal Article}, abstract = {

Although template-assisted self-assembly methods are very popular in materials and biological systems, they have certain limitations such as lack of tunability and switchable functionality because of the irreversible association of cells and their matrix components. With an aim to achieve more tunability, we have made an attempt to investigate the self-assembly behavior of rod-shaped living bacteria subjected to an external alternating electric field using confocal microscopy. We demonstrate that rod-shaped living bacteria dispersed in a low salinity aqueous medium form different types of reversible freely suspended structures when subjected to an external alternating electric field. At low field strength, an oriented phase is observed where individual bacterium orients with its major axis aligned along the field direction. At intermediate field strength, bacteria align in the form of one-dimensional (1D) chains that lie along the field direction. Further, at high field strength, more bacteria associate with these 1D chains laterally to form a two-dimensional (2D) array. At higher bacterial concentration, these field-induced 2D arrays extend to form three-dimensional columnar structures. These results are discussed in the context of previously reported studies on bacterial self-assembly.

}, keywords = {Bacteria, Electric Properties, Self- Assembly}, doi = {10.1021/acsomega.6b00541}, author = {Samantaray, Kunal and Bhol, Prachi and Sahoo, Bhaban and Barik, Subrat Kumar and Jathavedan, Kiran and Sahu, Bikash Ranjan and Bikash Ranjan and Suar, Mrutyunjay and Bhat, Suresh K. and Mohanty, Priti Sunda} } @article {45711, title = {Thermodynamic and molecular origin of interfacial rate enhancements and endo-selectivities of a Diels-Alder reaction}, journal = {Physical Chemistry Chemical Physics}, volume = {19}, year = {2017}, month = {FEB }, pages = {4297-4306}, type = {Article}, abstract = {

Organic reactions in general display large rate accelerations when performed under interfacial conditions, such as on water or at ionic liquid interfaces. However, a clear picture of the physicochemical factors responsible for this large rate enhancements is not available. To gain an understanding of the thermodynamic and molecular origin of these large rate enhancements, we performed a Diels-Alder reaction between cyclopentadiene and methyl acrylate at ionic liquid/n-hexane interfaces. This study describes, for the first time, a methodology for the calculation of the activation parameters of an interfacial reaction. It has been seen that the energy of activation for an interfacial reaction is much smaller than that of the corresponding homogeneous reaction, resulting into the large rate acceleration for the interfacial reaction. Furthermore, the study describes the effects of the alkyl chain length of ionic liquid cations, the extent of heterogeneity, and the polarity of ionic liquids on the rate constants and stereoselectivity of the reaction.

}, issn = {1463-9076}, doi = {10.1039/c6cp07405g}, author = {Beniwal, Vijay and Kumar, Anil} } @article {43774, title = {Thermo-responsive PNIPAM-metal hybrids: an efficient nanocatalyst for the reduction of 4-nitrophenol}, journal = {Applied Surface Science}, volume = {420}, year = {2017}, month = {OCT}, pages = {753-763}, type = {Article}, abstract = {Micron size thermoresponsive cross-linked polymeric microgels of poly(N-isopropylacrylamide) (PNIPAM) are used as "microreactor" for embedding metal nanoparticles of different shapes. Using a simple and robust method, we have synthesized various polymer-metal hybrid nanostructures incorporated with Au nanorods (AuNR), Au nanospheres (AuNS) and Ag nanospheres (AgNS). These hybrid nanostructures have been characterized by transmission electron microscope (TEM), UV-vis spectroscopy, dynamic light scattering (DLS) and static light scattering (SLS) followed by their catalytic activity. TEM studies directly confirmed the mondispersity of synthesized hybrid microgels and stability of the embedded metal nanoparticles within the microgels. Optical studies confirmed the presence of respective absorption bands that correspond to AuNS, AgNS and AuNR respectively. Extensive DLS studies demonstrated that although these hybrid microgels preserve their thermoresponsive properties, i.e their hydrodynamic radius decreased with increasing temperature, their thermosensitivity were comparatively lesser than pure PNIPAM microgels. Combining with studies using static light scattering, we further found that AuNS and AgNS were inhomogeneously distributed within microgels where the majority of the nanoparticles present within the loosely cross-linked shell. On the other hand AuNR were distributed more homogeneously within the microgels. Catalytic performance of various nanostructures loaded onto PNIPAM microgel beads were evaluated by studying the catalytic reduction of 4-nitrophenol. Complete catalytic conversion using AgNS occurred in similar to 30 min with a first-order rate constant of 0.159 min(-1) having a 7 min induction period. On the other hand no induction period was observed for AuNS and AuNR and the reaction completed in 3-4 min with a first-order rate constant of 1.607 min(-1) and 1.627 min(-1) respectively. Further, PNIPAM-AuNS and PNIPAM-AuNR possess better catalytic activity as well as recyclability compared to that of PNIPAM-AgNS. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2017.05.172}, author = {Satapathy, Smith Sagar and Bhol, Prachi and Chakkarambath, Aswathy and Mohanta, Jagdeep and Samantaray, Kunal and Bhat, Suresh K. and Panda, Subhendu K. and Mohanty, Priti S. and Si, Satyabrata} } @article {43342, title = {Thermo-reversible sol-gel transition of aqueous solutions of patchy polymers}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JAN}, pages = {5101-5110}, abstract = {While aqueous solutions of several amphiphilic thermo-reversible polymers show gelation upon heating, there are fewer examples of polymer solutions that exhibit gelation when cooled. This paper reports an interesting phenomenon of abrupt thermoreversible gelation of aqueous solutions of a hydrophobically modified polymer upon cooling. A high molecular weight precursor copolymer (PCP, (M-w) over bar approximate to 5 x 10(6) g mol(-1)) of N, N-dimethylacrylamide (70 mol\%) and acrylic acid (30 mol\%) was modified by reacting 10 mol\% of the acrylic acid groups with n-dodecyl amine to form a hydrophobically modified copolymer (HMCP). The composition of the copolymer was ascertained using NMR spectroscopy. Cooling the solution of PCP at a controlled rate resulted in a gradual increase in its low shear viscosity as dictated by the flow activation energy. In contrast, cooling the solution of HMCP under identical conditions resulted in an abrupt and large non-Arrhenius increase in viscosity at a specific transition temperature, which decreased with decrease in polymer concentration. Fluorescence measurements and dynamic light scattering data showed that abrupt gelation happened upon cooling, when polymer coils percolate accompanied with concomitant transition in chain conformation from compact micellar coils formed by intra-chain hydrophobic associations to swollen polymer coils connected by inter-chain hydrophobic interactions.}, doi = {10.1039/c6ra27030a}, author = {Parmar, Indravadan A. and Shedge, Aarti S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Lele, Ashish K.} } @article {43388, title = {Transition metal free catalytic hydroboration of aldehydes and aldimines by amidinato silane}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {FEB}, pages = {2420 - 2424}, abstract = {The transition metal free catalytic hydroboration of aldehydes and ketones is very limited and has not been reported with a well-defined silicon(iv) compound. Therefore, we chose to evaluate the previously reported silicon(iv) hydride [PhC(NtBu)2SiHCl2], (1) as a single component catalyst and found that it catalyzes the reductive hydroboration of a range of aldehydes with pinacolborane (HBpin) under ambient conditions. In addition, compound 1 can catalyze imine hydroboration. DFT calculation was carried out to understand the mechanism.}, doi = {10.1039/C6DT04893E}, author = {Bisai, Milan and Pahar, Sanjukta and Das, Tamal and Sen, Sakya S.} } @article {43736, title = {Two-dimensional infrared spectroscopy reveals cosolvent-composition-dependent crossover in intermolecular hydrogen bond dynamics}, journal = {Journal of Physical Chemistry Letters}, volume = {8}, year = {2017}, month = {APR}, pages = {1604-1609}, type = {Article}, abstract = {Cosolvents have versatile composition-dependent applications in chemistry and biology. The simultaneous presence of hydrophobic and hydrophilic groups in dimethyl sulfoxide (DMSO), an industrially important amphiphilic cosolvent, when combined with the unique properties of water, plays key roles in the diverse fields of pharmacology, cryoprotection, and cell biology. Moreover, molecules dissolved in aqueous DMSO exhibit an anomalous concentration-dependent nonmonotonic behavior in stability and activity near a critical DMSO mole fraction of 0.15. An experimental identification of the origin of this anomaly can lead to newer chemical and biological applications. We report a direct spectroscopic observation of the anomalous behavior using ultrafast twodimensional infrared spectroscopy experiments. Our results demonstrate the cosolventconcentration-dependent nonmonotonicity arises from nonidentical mechanisms in ultrafast hydrogen-bond-exchange dynamics of water above and below the critical cosolvent concentration. Comparison of experimental and theoretical results provides a molecular-level mechanistic understanding: a distinct difference in the stabilization of the solute through dynamic solute solvent interactions is the key to the anomalous behavior.}, doi = {10.1021/acs.jpclett.7b00270}, author = {Kashid, Somnath M. and Jin, Geun Young and Chakrabarty, Suman and Kim, Yung Sam and Bagchi, Sayan} } @article {45750, title = {Unified strategy for silver-, base-, and oxidant-free direct arylation of C-H bonds}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {MAY }, pages = {2111-2117}, type = {Article}, abstract = {

Here, we report a dual catalytic approach for room temperature direct arylation of C-H bonds with aryldiazonium salts as a simple aryl group donor, also working as an internal oxidant via C-N-2 bond cleavage. This unified strategy has been achieved by the synergistic combination of visible-light metal-free photoredox and palladium catalysis under silver-, base-and/or additive-free conditions. The broad substrate scope, functional group tolerance, excellent regioselectivity and redox-neutral conditions of this process make it attractive for the effective synthesis of a wide range of important N-heterocyclic commodities such as dibenzo [b,d]azepine, carbazole and phenanthridine.

}, issn = {1463-9262}, doi = {10.1039/c6gc03438a}, author = {Sahoo, Manoj K. and Midya, Siba P. and Landge, Vinod G. and Balaraman, Ekambaram} } @article {43859, title = {Validity of the Rosenfeld relationship: a comparative study of the network forming NTW model and other simple liquids}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {JUL}, pages = {793-800}, type = {Article}, abstract = {In this paper we explore the validity of the Rosenfeld and the Dzugutov relation for the Lennard-Jones (LJ) system, its repulsive counterpart, the WCA system and a network forming liquid, the NTW model. We find that for all the systems both the relations are valid at high temperature regime with an universal exponent close to 0.8. Similar to that observed for the simple liquids, the LJ and the WCA systems show a breakdown of the scaling laws at the low temperature regime. However for the NTW model, which is a simple liquid, these scaling laws are valid even at lower temperature regime similar to that found for ionic melts. Thus we find that the NTW model has mixed characteristics of simple liquids and ionic melts. Our study further reveals a quantitative relationship between the Rosenfeld and the Arrhenius relations. For strong liquids, the validity of the Rosenfeld relation in the low temperature regime is connected to it following the Arrhenius behaviour in that regime. Finally we explore the role of pair entropy and residual multiparticle entropy in the dynamics as a function of fragility of the systems.}, doi = {10.1007/s12039-0}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {45688, title = {Visible-light active catechol-metal oxide carbonaceous polymeric material for enhanced photocatalytic activity}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JAN}, pages = {384-396}, type = {Article}, abstract = {

esigning new materials for sustainable energy and environmental applications is one of the prime focuses in chemical science. Here, an unprecedented visible-light active catechol-TiO2 carbonaceous polymer based organic-inorganic hybrid material was synthesized by a photosynthetic route. The visible light induced (\> 400 nm) photosynthetic polymerization of catechol led to the formation of carbonaceous polymeric deposits on the surface of TiO2. The band gap energy of hybrids was shifted to the visible region by orbital hybridization between 3d(Ti) of TiO2 and 2p(O), pi(C) of catechol. The Tauc plot clearly revealed that 1.0 wt\% catechol-TiO2 carbonaceous polymer remarkably tailored the optical band gap of TiO2 from 3.1 eV to 1.9 eV. The synthesized hybrid materials were thoroughly characterized and their photocatalytic activity was evaluated towards toxic Cr(VI) to relatively less toxic Cr(III) reduction under visible light irradiation (\> 400 nm), and solar light-driven H-2 production through water splitting. Very interestingly, the hybrid material showed 5- and 10-fold enhanced activity for photocatalytic Cr(VI) reduction and solar light-driven H-2 production respectively compared with pure TiO2. Moreover, the hybrid materials showed enhanced stability during photocatalysis. Thus, the simple photosynthetic strategy for developing light harvesting organic-inorganic hybrid materials can open up potential applications in energy and environmental remediation.

}, doi = {10.1039/c6ta07685h}, author = {Karthik, P. and Vinoth, R. and Selvam, P. and Balaraman, E. and Navaneethan, M. and Hayakawa, Y. and Neppolian, B.} } @article {45522, title = {1H, 13C and 15N NMR assignments of two plant protease inhibitors (IRD7 and IRD12) from the plant capsicum annuum.}, journal = {Biomolecular NMR Assignments}, volume = {13}, year = {2018}, month = {APR}, pages = {31-35}, type = {Article}, abstract = {

Helicoverpa species are polyphagous pests, with the larval stages causing major damage to economically valuable crops such as cotton, tomato, corn, sorghum, peas, sunflower, wheat and other pulses. Over the years, Helicoverpa armigera has developed resistance to most classes of chemical insecticides, and consequently it is now largely controlled on cotton plants via the use of Bt transgenic crops that express insecticidal Cry toxins which in-turn expedited resistance development in a number of pest species including H. armigera. In a hope to provide other eco-friendly alternatives solutions to counter the effect of the pest, people have identified a number of protease inhibitors (PIs) from the domesticated capsicum species Capsicum annuum, several of which potently inhibited H. armigera gut proteases and impeded growth of H. armigera larva. With a view to explore and enhance the specific nature or properties of these PIs on the mechanism of inhibition, structural and functional characterization of these PIs are inevitable. Towards this goal, we have carried out complete 1H, 13C and 15N resonance assignments of two of these PIs, identified as IRD7 and IRD12, using a suite of 2D and 3D multi-dimensional and multi-nuclear NMR experiments.

}, keywords = {Bt transgenic, Hetero-nuclear NMR, inhibitory repeating domains, Protease inhibitors (PIs), Resonance assignments}, issn = {1874-2718}, doi = {10.1007/s12104-018-9846-z}, author = {Gartia, J. and Barnwal, R.P. and Anangi, R. and Giri, A.R. and King, G. and Chary, K.V.R.} } @article {45453, title = {2D molecular precursor for a one-pot synthesis of semiconducting metal sulphide nanocrystals}, journal = {Bulletin of Materials Science}, volume = {41}, year = {2018}, month = {OCT}, type = {Article}, abstract = {2D molecular materials, namely, metal alkyl thiolates, have been used as a single-source precursor for the synthesis of semiconducting metal sulphide nanocrystals (NCs) by thermal decomposition. These 2D molecular precursors have all the ingredients required for metal sulphide synthesis (metal source, sulphur source and protecting ligand). In this study, we demonstrate a simple and general solvothermal decomposition{\textquoteright} approach for the synthesis of high-quality , PbS, CdS, MnS and ZnS NCs. The size of the NC can also be controlled by changing the decomposition temperature. Furthermore, the optical properties of the NCs have also been studied. }, issn = {0250-4707}, doi = {10.1007/s12034-018-1639-6}, author = {Bera, Abhijit and Prasad, Bhagavatula L. V.} } @article {44416, title = {Accelerated in vitro model for occlusion of biliary stents: investigating the role played by dietary fibre}, journal = {BMJ Innovations}, volume = {4}, year = {2018}, month = {NOV}, abstract = {ackground To develop a new accelerated in vitro model that has implications for investigating the mechanism of biliary stent occlusion and help in the development of new materials that can alleviate this problem. Methods We employ a combination of reconstituted animal bile, bacteria and cellulose fibres optimised to reproducibly generate accelerated occlusion of stents, and produce occlusions that closely mimic those found in clinical studies. Results Our model affords repeatable, highly accelerated occlusion (within 2{\textendash}3 days, compared with between about a week to 2 months in previous models). Our results highlight the role of dietary fibre in blockage of stents and demonstrate their importance in the onset of occlusion. Conclusions This accelerated model may have implications for developing biliary stents with enhanced patency.}, doi = {dx.doi.org/10.1136/bmjinnov-2017-000209}, author = {Surwase, Sachin and Balakrishnan, Harishankar and Acharya, Subrat K. and Makharia, Govind K. and Kumaraswamy, Guruswamy and Bhagavatula L. V. Prasad} } @article {44418, title = {Acid modified H-USY zeolite for efficient catalytic transformation of fructose to 5-hydroxymethyl furfural (biofuel precursor) in methyl isobutyl ketone-water biphasic system}, journal = {Energy Fuels}, volume = {32}, year = {2018}, month = {FEB}, pages = {3783{\textendash}3791}, abstract = {Sustainable process and efficient heterogeneous acid catalyst for the preparation of platform chemicals like 5-hydroxymethyl furfural (5-HMF) from renewable source is much in demand in the context of heterogeneous catalysis. Commercially available solid acid catalyst, H-USY zeolite was modified by treating with aqueous solution of H3PO4 and H2SO4 (10{\textendash}30 wt \%). Modified H-USY was completely characterized by XRD, NH3-TPD, energy dispersive analysis X-ray (EDAX), FT-IR, pyridine-IR, and NMR. Its catalytic performance was evaluated for the fructose conversion to 5-HMF in methyl isobutyl ketone (MIBK){\textendash}water system. Modified H-USY zeolite was identified to have potential in enhancement of 5-HMF yield up to 65\% from 32\% (parent H-USY) with minimum formation of furfural (8\%). H-USY modified with 10 wt \% H3PO4 (10P{\textendash}Y) was found to be the best compared to other studied catalysts, namely, H-USY modified with 20 and 30 wt \% H3PO4 (20 and 30P{\textendash}Y) or 10{\textendash}30 wt \% H2SO4 (10- to 30S{\textendash}Y). Best performance of 10P{\textendash}Y is associated with the optimum combination of moderate acidity (both weak as well as strong), moderate dealumination of Al from extra-framework sites as well as from framework sites of H-USY, formation of new Al{\textendash}O{\textendash}P bonds between framework Al and elemental monomeric phosphorus, presence of Br{\o}nsted as well as Lewis acidity, and creation of mesopores. This gives new insight on a potential heterogeneous acid catalyst for the synthesis of 5-HMF.}, doi = {10.1021/acs.energyfuels.7b03684}, author = {Pande, Ashwini and Niphadkar, Prashant and Pandare, Kiran and Bokade, Vijay} } @article {45416, title = {Activation of HRI is mediated by Hsp90 during stress through modulation of the HRI-Hsp90 complex}, journal = {International Journal of Biological Macromolecules}, volume = {118}, year = {2018}, month = {OCT}, pages = {1604-1613}, type = {Article}, abstract = {Heme Regulated Inhibitor (HRI) is known to get activated in various stresses such as heme deficiency, heat shock, heavy metal toxicity etc. Heat shock protein 90 (Hsp90), a ubiquitous cytoplasmic protein interacts with HRI in order to regulate protein synthesis. However, it still remains to establish this interaction of HRI and Hsp90 at cellular levels and how this modulation of HRI activity is mediated by Hsp90 during stress. In the present report, using co-immunoprecipitation analysis we show that HRI interacts with Hsp90 and this association is independent of other co-chaperones in in vitro conditions. Further, analysis using truncated domains of HRI revealed that the K1 subdomain is essential for HRI - Hsp90 complex formation. Our in silico protein - protein interaction studies also indicated interaction of Hsp90 with K1 subdomain of HRI. Mammalian two hybrid assay validated this HRI - Hsp90 interaction at cellular levels. When the in vitro kinase assay was carried out with the co-immunoprecipitated complex of HRI - Hsp90, an increase in the kinase activity was observed resulting elevated levels of eIF2 alpha phosphorylation upon heavy metal stress and heat shock. Thus, our results clearly indicate modulation of HRI kinase activity with simultaneous Hsp90 association under stress conditions. (C) 2018 Elsevier B.V. All rights reserved.}, issn = { 0141-8130}, doi = {10.1016/j.ijbiomac.2018.06.204}, author = {Berwal, Sunil K. and Bhatia, Varsha and Bendre, Arneya and Suresh, C. G. and Chatterjee, Sangeeta and Pal, Jayanta K.} } @article {44162, title = {Active and durable alkaline earth metal substituted perovskite catalysts for dry reforming of methane}, journal = {Applied Catalysis B - Environmental}, volume = {224}, year = {2018}, month = {MAY}, pages = {146-158}, type = {Article}, abstract = {Dry reforming of methane is an important process for the utilization of CO2 and to get valuable synthesis gas. Alkaline earth metal substituted MZr1-xNixO3-delta perovskites were synthesized by citrate gel method, characterized and evaluated for dry reforming methane. Characterization results show that the type of alkaline earth substituted at the A site of the perovskite oxide plays an important role in terms of structure, basicity, oxygen deficiency and Ni dispersion. Calcium substituted CaZr0.8Ni0.2O3-delta catalyst shows superior activity in terms of high CH4 and CO2 conversion, while maintaining the activity even after 500 h of reaction. Mechanistic investigations were carried out using transient pulse experiments and insitu FTIR-diffuse reflectance spectroscopy. These experiments reveal that redox property and basicity play important role in activation and sustaining the reforming reaction. Insitu FTIR measurements show that surface hydroxyl groups of the support are vital for high activity and durability of CaZr0.8Ni0.2O3-delta catalyst. XRD and TGA analysis of catalysts after reaction show the structures are retained, but peaks pertaining to coke were observed on SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts. On the otherhand, CaZr0.8Ni0.2O3-delta catalyst had only amorphous carbon even after 500 h of reaction. HRTEM studies revealed that SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts deactivated mostly due to the formation of carbon nanotubes with Ni embedded in them. Raman and XPS analysis helped in identifying types of coke precursors present on the catalysts. The investigation also illustrate that type of carbon formed depends on the basicity of perovskite oxide, metal to support interaction, Ni crystallite size, surface hydroxyl groups and oxygen defects. This study clearly demonstrated that CaZr0.8Ni0.2O3-delta is an excellent catalyst for dry reforming reaction with long life.}, doi = {10.1016/j.apcatb.2017.10.048}, author = {Dama, Srikanth and Ghodke, Seema R. and Bobade, Richa and Gurav, Hanmant R. and Chilukuri, Satyanarayana} } @article {44385, title = {Advanced glycation end products modulate amyloidogenic APP processing and tau phosphorylation: a mechanistic link between glycation and the development of alzheimer{\textquoteright}s disease}, journal = {ACS Chemical Neuroscience}, volume = {9}, year = {2018}, month = {MAY}, pages = {988-1000}, abstract = {Advanced glycation end products (AGEs) are implicated in the pathology of Alzheimer{\textquoteright}s disease (AD), as they induce neurodegeneration following interaction with the receptor for AGE (RAGE). This study aimed to establish a mechanistic link between AGE-RAGE signaling and AD pathology. AGE-induced changes in the neuro2a proteome were monitored by SWATH-MS. Western blotting and cell-based reporter assays were used to investigate AGE-RAGE regulated APP processing and tau phosphorylation in primary cortical neurons. Selected protein expression was validated in brain samples affected by AD. The AGE-RAGE axis altered proteome included increased expression of cathepsin B and asparagine endopeptidase (AEP), which mediated an increase in A beta(1-)(42) formation and tau phosphorylation, respectively. Elevated cathepsin B, AEP, RAGE, and pTau levels were found in human AD brain, coincident with enhanced AGEs. This study demonstrates that the AGE-RAGE axis regulates A beta(1-)(42) formation and tau phosphorylation via increased cathepsin B and AEP, providing a new molecular link between AGEs and AD pathology.}, doi = {10.1021/acschemneuro.7b00410}, author = {Batkulwar, Kedar and Godbole, Rashmi and Banarjee, Reema and Kassaar, Omar and Williams, Robert J. and Kulkarni, Mahesh J.} } @article {45350, title = {Alkaline earth metal compounds of methylpyridinato beta-diketiminate ligands and their catalytic application in hydroboration of aldehydes and ketones}, journal = {Organometallics }, volume = { 37}, year = {2018}, month = {DEC}, pages = {4576-4584}, type = {Article }, abstract = {

Ever increasing demand for green and sustainable chemical processes has set up a drive to replace transition metals with earth-abundant, nontoxic, and environmentally benign alternatives. In this regard, the alkaline earth metal complexes have attracted significant attention. Herein, we have used a beta-diketiminato ligand with methyl-pyridine side arm to synthesize magnesium (1) and calcium (2) compounds. The constitutions of 1 and 2 have been confirmed by single crystal X-ray studies, which show that the magnesium and calcium atom in 1 and 2 possesses octahedral geometry. Subsequently, we have used them as catalysts (1 mol \%) for hydroboration of a wide range of aldehydes using pinacolborane (HBpin) at room temperature. The strategy has further been extended to ketones with 2 mol \% catalyst loading. DFT calculations have been performed to understand the mechanism.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00568}, author = {Yadav, Sandeep and Dixit, Ruchi and Bisai, Milan Kumar and Vanka, Kumar and Sen, Sakya S.} } @article {44349, title = {Analysis of Kunitz inhibitors from plants for comprehensive structural and functional insights}, journal = {International Journal of Biological Macromolecules}, volume = {113}, year = {2018}, month = {JUL}, pages = {933-943}, type = {Article}, abstract = {Legume Kunitz type trypsin inhibitor (KTI) family is one of the most versatile families of proteins. A typical KTI features a single peptide folded in beta-trefoil manner, with the molecular weight about 20-22 kDa and two disulphide bonds. The members are known to inhibit a wide range of serpins proteases at the same time many of them possess unique features. Copaifera langsdoiffii Trypsin inhibitor (CTI) has a beta-trefoil fold made up of two non-covalently bound polypeptide chains with only a single disulfide bridge. Delonix regia Trypsin inhibitor (DrTI) has one amino acid insertion between P1 and P2 of the reactive site distorting its conformation. Bauhinia bauhinioides Cruzipain inhibitor (BbCI) has a conservative beta-trefoil fold but lacks disulfide bonds. Such subtle differences in structures make Kunitz inhibitors different from other inhibitor families. Most of the studies on these inhibitors are focused towards their proposed role in defense from insect pests and wounding but their exact physiological role in nature is still uncharted. Thus, it would be very interesting to closely analyze the structural details of these inhibitors in order to ascertain their biological role and other fascinating applications. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2018.02.148}, author = {Bendre, Ameya D. and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {44208, title = {Analysis of the anomalous mean-field like properties of Gaussian core model in terms of entropy}, journal = {Journal of Chemical Physics}, volume = {148}, year = {2018}, month = {JAN}, pages = {034504}, type = {Article}, abstract = {

Studies of the Gaussian core model (GCM) have shown that it behaves like a mean-field model and the properties are quite different from standard glass former. In this work, we investigate the entropies, namely, the excess entropy (Sex) and the configurational entropy (S-c) and their different components to address these anomalies. Our study corroborates most of the earlier observations and also sheds new light on the high and low temperature dynamics. We find that unlike in standard glass former where high temperature dynamics is dominated by two-body correlation and low temperature by many-body correlations, in the GCM both high and low temperature dynamics are dominated by many-body correlations. We also find that the many-body entropy which is usually positive at low temperatures and is associated with activated dynamics is negative in the GCM suggesting suppression of activation. Interestingly despite the suppression of activation, the Adam-Gibbs (AG) relation that describes activated dynamics holds in the GCM, thus suggesting a non-activated contribution in AG relation. We also find an overlap between the AG relation and mode coupling power law regime leading to a power law behavior of S-c. From our analysis of this power law behavior, we predict that in the GCM the high temperature dynamics will disappear at dynamical transition temperature and below that there will be a transition to the activated regime. Our study further reveals that the activated regime in the GCM is quite narrow. Published by AIP Publishing.

}, issn = {0021-9606}, doi = {10.1063/1.5013644}, author = {Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {44424, title = {Antibacterial and anti-TB tat-peptidomimetics with improved efficacy and half-life}, journal = {European Journal of Medicinal Chemistry}, volume = {152}, year = {2018}, month = {MAY}, pages = {358-369}, abstract = {Non-natural antimicrobial peptides are ideal as next-generation antibiotics because of their ability to circumvent the problems of drug resistance and in vivo instability. We report novel all-alpha- and alpha,gamma-mixed Tat peptide analogues as potential antibacterial and anti-TB agents. These peptides have broad spectrum antibacterial activities against Gram-positive (MICs 0.61 +/- 0.03 to 1.35 +/- 0.21 mu M with the peptide gamma TatM4) and Gram-negative (MICs 0.71 +/- 0.005 to 1.26 +/- 0.02 M with gamma TatM4) bacteria and are also effective against active and dormant forms of Mycobacterium tuberculosis, including strains that are resistant to rifampicin and isoniazid. The introduction of the non-natural amino acids of the study in the Tat peptide analogues results in increased resistance to degradation by proteolysis, significantly increasing their half-life. The peptides appear to inhibit bacteria by a membrane disruption mechanism, and have only a low cytotoxic effect on mammalian cells. (C) 2018 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2018.04.039}, author = {Bhosle, Govind S. and Nawale, Laxman and Yeware, Amar M. and Sarkar, Dhiman and Fernandes, Moneesha} } @article {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 {44214, title = {Aqueous dispersions of lipid nanoparticles wet hydrophobic and superhydrophobic surfaces}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {JAN }, pages = {205-215}, type = {Article}, abstract = {

Efficient delivery of aqueous sprays to hydrophobic surfaces is the key technological challenge in a wide variety of applications, including pesticide delivery to plants. To account for losses due to bouncing of pesticide sprays off hydrophobic leaf surfaces, a large excess of pesticide is typically employed, resulting in environmentally hazardous run-offs that contaminate soil and ground water. We demonstrate that aqueous dispersions of glycerol monooleate nanoparticles, called cubosomes, wet hydrophobic and superhydrophobic surfaces and adhere to them. Cubosomes comprise glycerol monooleate lipid molecules self-assembled into a double diamond cubic phase, that form stable aqueous dispersions that are sterically stabilized using amphiphilic block copolymers. We use high speed imaging to monitor the spreading and retraction of aqueous drops impinged on model hydrophobic substrates and on superhydrophobic lotus leaves. We show that cubosomes diffuse to hydrophobic substrates and reorganize to form a thin, approximate to 2 nm adsorbed lipid layer during the millisecond time scales that characterize drop impact. This adsorbed film drastically reduces the water contact angle, transforming the hydrophobic surface to hydrophilic, thus facilitating retention of the aqueous drop on the surface. Aqueous drops of cubosomes impinged at low velocities on inclined natural superhydrophobic lotus leaf surfaces do not roll off, unlike drops of water or surfactant solutions. When sprayed on inclined lotus leaves, corresponding to the case of high velocity drop impingement, cubosome dispersions form a continuous wetting film. Our results have important implications for efficient, environment-friendly delivery of pesticide sprays.

}, issn = {1744-683X}, doi = {10.1039/c7sm01817g}, author = {Kumar, Manoj and Kulkarni, Mayuresh A. and Chembu, Narendiran G. and Banpurkar, Arun and Kumaraswamy, Guruswamy} } @article {45377, title = { Balancing antimicrobial performance with hemocompatibility in amphiphilic homopolymers}, journal = {Journal of Polymer Science Part A- Polymer Chemistry}, volume = {56}, year = {2018}, month = {NOV}, pages = {2391-2396}, type = {Article}, abstract = {This work establishes amphiphilic polymethacrylates as new antimicrobial candidates that can be synthesized through a combination of controlled free radical polymerization and sequential postpolymerization modification protocols. When conjugated with a polyethylene glycol segment, the block copolymers exhibit a balanced performance between high antibacterial activity and high hemocompatibility.}, issn = { 0887-624X}, doi = { 10.1002/pola.29213}, author = {Zhu, Zhiyuan and Jeong, Gookyeong and Kim, Seung-Jin and Gadwal, Ikhlas and Choe, Youngson and Bang, Joona and Oh, Min-Kyu and Khan, Anzar and Rao, Jingyi} } @article {44624, title = {B(C6F5)(3): catalyst or initiator? insights from computational studies into surrogate silicon chemistry}, journal = {ACS Catalysis}, volume = {8}, year = {2018}, month = {JUL}, pages = {6163-6176}, type = {Article}, abstract = {

One of the most promising recent developments in catalysis has been the use of the metal-free Lewis acid B(C6F5)(3) as a catalyst for a range of different chemical transformations. Perhaps the most impressive achievement in this regard is the recently accomplished in situ generation of SiH4 from surrogates (Simonneau and Oestreich, Nat. Chem., 2015,7, 816). However, what the current computational work, with density functional theory, reveals is that this process, in addition to being catalyzed by B(C6F5)(3), is also significantly dominated by a series of autocatalytic reactions. The results are further corroborated by the use of the energetic span model, which shows that the turnover frequency is higher for the newly proposed autocatalytic pathway in comparison to the conventional B(C6F5)(3)-catalyzed pathway. The current work therefore provides interesting new insights into surrogate silicon chemistry. But, more importantly, the current studies indicate that B(C6F5)(3) is likely to function more as an initiator rather than a pure catalyst in many metal-free transformations that have been reported to date.

}, keywords = {autocatalysis, Density functional theory, ion-pair, Lewis acid catalysis, reaction mechanism, surrogate silicone chemistry, tris(pentafluorophenyl)borane}, issn = {2155-5435}, doi = {10.1021/acscatal.7b04489}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {45557, title = {BIOPYDB: a dynamic human cell specific biochemical pathway database with advanced computational analyses platform}, journal = {Journal of integrative bioinformatics}, volume = {15}, year = {2018}, month = {MAR }, type = {Article}, abstract = {BIOPYDB: BIOchemical PathwaY DataBase is developed as a manually curated, readily updatable, dynamic resource of human cell specific pathway information along with integrated computational platform to perform various pathway analyses. Presently, it comprises of 46 pathways, 3189 molecules, 5742 reactions and 6897 different types of diseases linked with pathway proteins, which are referred by 520 literatures and 17 other pathway databases. With its repertoire of biochemical pathway data, and computational tools for performing Topological, Logical and Dynamic analyses, BIOPYDB offers both the experimental and computational biologists to acquire a comprehensive understanding of signaling cascades in the cells. Automated pathway image reconstruction, cross referencing of pathway molecules and interactions with other databases and literature sources, complex search operations to extract information from other similar resources, integrated platform for pathway data sharing and computation, etc. are the novel and useful features included in this database to make it more acceptable and attractive to the users of pathway research communities. The RESTful API service is also made available to the advanced users and developers for accessing this database more conveniently through their own computer programmes.}, issn = {1613-4516}, doi = {10.1515/jib-2017-0072}, author = {Chowdhury, S. and Sinha, N. and Ganguli, P. and Bhowmick, R. and Singh, V. and Nandi, S. and Sarkar, R. R.} } @article {44374, title = {Catalytic enantioselective 1,3-alkyl shift in alkyl aryl ethers: efficient synthesis of optically active 3,3 {\textquoteright}-diaryloxindoles}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {MAY}, pages = {5735-5739}, abstract = {Reported is the first organocatalytic asymmetric 1,3-alkyl shift in alkyl aryl ethers for the synthesis of chiral 3,3{\textquoteright}-diaryloxindoles using a chiral Bronsted acid catalyst. Preliminary results showed that each enantiomer of the 3,3{\textquoteright}-diaryloxindole, and a racemic mixture, showed different antiproliferative activities against HeLa cell lines by using an MTT assay.}, doi = {10.1002/anie.201801650}, author = {Gade, Amol B. and Bagle, Pradip N. and Shinde, Popat S. and Bhardwaj, Vipin and Banerjee, Subhrashis and Chande, Ajit and Patil, Nitin T.} } @article {44430, title = {Chemo-biological evaluation of antidiabetic activity of M entha arvensis L. and it{\textquoteright}s role in inhibition of advanced glycation end products}, journal = {Journal of Ayurveda and integrative medicine}, year = {2018}, month = {FEB}, abstract = {

Background: There has been enormous curiosity in the development of alternative plant based medicines to control diabetes, oxidative stress and related disorders. One of the therapeutic approaches is to reduce postprandial release of glucose in the blood. Two key enzymes that are involved in reducing postprandial glucose are α-amylase and α-glucosidase. Mentha arvensis L. has been traditionally used by several tribes as a medicinal plant to treat various disorders. Objective: The present study was undertaken to test M. arvenisis L. for inhibition of postprandial hyperglycemia. Material and method: We performed various in vitro and in vivo tests to evaluate efficacy of M. arvenisis L. for antidiabetic activity (postprandial hyperglycemia). Results: Methanolic extract of M. arvensis L. leaves showed DPPH free radical scavenging activity (more than 78\% μg/μl) and high antiglycation potential (more than 90\% inhibition of AGE formation). Methanolic extract also showed remarkable inhibitory effects on α-amylase (more than 50\% μg/μl) and α-glucosidase (68\% μg/μl) and significant inhibition of postprandial hyperglycemia in starch induced diabetic Wistar rats. Conclusion: The non-insulin dependent antidiabetic or inhibition of postprandial hyperglycemic activity of methanolic extract of M. arvensis L. leaves was shown by using in vitro and in vivo approaches in the present study.

}, doi = {10.1016/j.jaim.2017.07.003}, author = {Agawane, Sachin B. and Gupta, Vidya S. and Kulkarni, Mahesh J. and Bhattacharya, Asish K. and Koratkar, Santosh} } @article {45444, title = { Chitosan-thiobarbituric acid: a superadsorbent for mercury}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = { 13183-13194}, type = {Article}, abstract = {In the present investigation, chitosan (CH) as supramolecularly cross-linked with thiobarbituric acid to form CT. CT was well characterized by UV, scanning electron microscopy-energy-dispersive X-ray analysis, Fourier trans form infrared, NMR, differential scanning calorimetry, thermogravimetric analysis, and X-ray difTraction analyses, and its adsorption potential for elemental mercury (Hg-0), inorganic mercury (Hg2+), and methyl mercury (CH3Hg+) was investigated. Adsorption experiments were conducted to optimize the parameters for removal of the mercury species under study, and the data were analyzed using Langmuir, Freundlich, an Temkin adsorption isotherm models. CT was found to have high adsorption capacities of 1357.69, 2504.86, and 2475.38 rng/g for Hg-0, Hg2+, and CH3Hg+, respectively. The adsorbent CT could be reused up elemental mercury using 0.01 N thiourea, inorganic mercury using 0.01 N perchloric acid, and methyl to three cycles by eluting mercury with 0.2 N NaCl.}, doi = {10.1021/acsomega.8b01837}, author = {Bhatt, Rahul and Kushwaha, Shilpi and Bojja, Sreedhar and Padmaja, 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 {44227, title = {Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols with alcohols: direct access to pyrrole, pyridine and pyrazine derivatives}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JAN}, pages = {90-93}, type = {Article}, abstract = {

Here, the first example is reported of a new, molecularly defined SNS-cobalt(II) catalyst for the acceptorless dehydrogenative coupling (ADC) of unprotected amino alcohols with secondary alcohols leading to pyrrole and pyridine derivatives.

}, issn = {1359-7345}, doi = {10.1039/c7cc07427a}, author = {Midya, Siba P. and Landge, Vinod G. and Sahoo, Manoj K. and Rana, Jagannath and Balaraman, Ekambaram} } @article {44435, title = { Colloidal Mn2+ doped 2D (n =1) lead bromide perovskites: efficient energy transfer and role of anion in doping mechanism}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUN}, pages = {6585-6595}, abstract = {

Mn{\texttwosuperior}$^{+}$ doping directly into APbCl3 type 3D nanocrystals, manifesting host to dopant energy transfer, have been heavily reported for illumination and display applications. However, these doped 3D ABX3 systems have low/modest exciton binding energy. Strongly bound excitons in the doped system can enhance the dopant-host carrier exchange interactions leading to efficient energy transfer. Reported here is a simple and facile synthesis of colloidal Mn{\texttwosuperior}$^{+}$ doped (Butylammonium/octylammonium)2PbBr4 2D (n=1) perovskites that demonstrate enhanced energy transfer from strongly bound excitons of the host material to the Mn{\texttwosuperior}$^{+}$ dopant ions resulting in intense orange-yellow emission due to spin forbidden internal transition ($^{4}$T1 {\textrightarrow} $^{6}$A1) with the highest quantum yield (Mn{\texttwosuperior}$^{+}$) of 36\%. Consistent with experimental evidences presented here, mechanism of this thermally aided doping process in these 2D systems, very likely, involves halide vacancy and its diffusion that precedes the cation exchange (doping) process. Owing to the high quantum yield, stability in ambient atmosphere, simplicity and scalability of the synthetic procedure, Mn{\texttwosuperior}$^{+}$ doped 2D perovskites could be beneficial as color converting phosphor material and can be utilized to further explore their magneto-optoelectronic properties.

}, doi = {10.1002/slct.201801248}, author = {Haris, Muhammed and Bakthavatsalam, Rangarajan and Kundu, Janardan} } @article {44222, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JAN}, pages = {212-215}, type = {Article}, abstract = {

We report a novel set of easily tailorable C-3 symmetric molecules with a pi-extended core and adorned with different thioalkyl groups, exhibiting solvatofluorochromic and amphoteric redox behaviour. The nearly planar core exhibits intermolecular face-to-face pi-stacking, S...S and intramolecular S...O interactions. Current-sensing atomic force microscopy studies revealed a high conductivity of similar to 0.15 mS cm(-1) in the undoped J-aggregate nanofibres of the thiopropyl appended gelator.

}, issn = {1359-7345}, doi = {10.1039/c7cc08741a}, author = {Shivakumar, K.I. and Goudappagouda. and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {44438, title = {Conformational studies of Ant-Pro motif-incorporated cyclic peptides: gramicidin S and avellanin}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {1197-1201}, abstract = {This paper reports conformational changes observed in cyclic bioactive peptides such as gramicidin S and avellanin upon incorporation of a pseudo-beta (C9) Ant-(D)Pro turn motif in their structural frameworks. Solution-state studies suggested that a synthetic gramicidin S analog exhibits a beta-sheet conformation with C9 and C17 intramolecular hydrogen bonding patterns, while its truncated analog disturbs the beta-sheet conformation. Structural details were obtained using a combination of CD studies, X-ray crystal structure studies and nOe-based MD simulation studies.}, doi = {10.1039/c7nj03701e}, author = {Kotmale, Amol S. and Sangtani, Ekta and Gonnade, Rajesh G. and Sarkar, Dhiman and Burade, Sachin and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {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 {45462, title = {Controlled surface/interface structure and spin enabled superior properties and biocompatibility of cobalt ferrite nanoparticles}, journal = {Allied Surface Science }, volume = {459}, year = {2018}, month = {NOV}, pages = {788-801}, type = {Article }, abstract = {High quality, crystalline, well-dispersed, and stable magnetic oxide nanoparticles (NPs) of inverse spinel cobalt ferrite (CoFe2O4; CFO) were prepared by a facile, reproducible, and simple hydrothermal route. The transmission electron microscopy, small-angle scattering and X-ray diffraction analyses demonstrate the structural quality of CFO NPs with a controlled size of similar to 12 nm. Small-angle scattering experiments demonstrate that the pristine CFO NPs have the individual size similar to 8.5 nm and spherical shape. The Raman and infrared spectroscopic measurements further confirm their high chemical quality and cubic symmetry. CFO NPs exhibit a remarkable, maximum coercivity (H-c) value of 18.92 kOe, which is the highest value achieved to date. Surface spins and spins canting along with a weak dipolar interaction accounts for the giant H-c and large effective anisotropy (11.45 x 10(6) erg/cm(3)) of these CFO NPs. The magnetic grain size of NPs reveals that the canted surface spins exist around the magnetic particles. Reorientation of surface spins and interparticle interaction causes the jumping behaviour in M-H hysteresis loops at H = 0. The cell viability of CFO NPs against the cancer (cisplatin resistant ovarian cancer - A2780/CP70) was evaluated to determine their potential application in biomedicine and health science. The mild response of CFO NPs in terms of their anti-proliferative nature against cancer cells and negligible cytotoxicity suggests their human-safe-and-friendly nature which makes them suitable for biomedical/health-related applications. Assessment of toxicity toward human red blood cells (RBC) revealed that hemolysis is less than 5\% compared to the positive control confirming the potential applications of CFO NPs targeting human cells and making relevant for adopting them in biomedicine.}, issn = {0169-4332}, doi = { 10.1016/j.apsusc.2018.08.063}, author = {Ansari, Sumayya M. and Sinha, Bhavesh B. and Pai, Kalpana R. and Bhat, Suresh K. and Ma, Yuan-Ron and Sen, Debasis and Kolekar, Yesh D. and Ramana, C., V.} } @article {45421, title = {Convergent covalent organic framework thin sheets as flexible supercapacitor electrodes}, journal = {ACS Applied Material \& Interfaces}, volume = {10}, year = {2018}, month = {AUG}, pages = {28139-28146}, type = {Article}, abstract = {Flexible supercapacitors in modern electronic equipment require light-weight electrodes, which have a high surface area, precisely integrated redox moieties, and mechanically strong flexible free-standing nature. However, the incorporation of the aforementioned properties into a single electrode remains a great task. Herein, we could overcome these challenges by a facile and scalable synthesis of the convergent covalent organic framework (COF) free-standing flexible thin sheets through solid-state molecular baking strategy. Here, redox-active anthraquinone (Dq) and pi-electron-rich anthracene (Da) are judiciously selected as two different linkers in a beta-ketoenamine-linked two-dimensional (2D) COF. As a result of precisely integrated anthraquinone moieties, COF thin sheet exhibits redox activity. Meanwhile, pi-electron-rich anthracene linker assists to improve the mechanical property of the free-standing thin sheet through the enhancement of noncovalent interaction between crystallites. This binder-free strategy offers the togetherness of crystallinity and flexibility in 2D COF thin sheets. Also, the synthesized porous crystalline convergent COF thin sheets are benefited with crack-free uniform surface and light-weight nature. Further, to demonstrate the practical utility of the material as an electrode in energy-storage systems, we fabricated a solid-state symmetrical flexible COF supercapacitor device using a GRAFOIL peeled carbon tape as the current collector.}, doi = {10.1021/acsami.8b10486}, author = {Khayum, Abdul M. and Vijayakumar, Vidyanand and Karak, Suvendu and Kandambeth, Sharath and Bhadra, Mohitosh and Suresh, Karthika and Acharambath, Nikhil and Kurungot, Sreekumar and Banerjee, Rahul} } @article {45555, title = {Covalent organic frameworks: chemistry beyond the structure}, journal = {Journal of the American Chemical Society}, volume = {141 }, year = {2018}, month = {NOV}, pages = {1807{\textendash}1822}, type = {Article}, abstract = {Covalent organic frameworks (COFs) represent a new field of rapidly growing chemical research that takes direct inspiration from diverse covalent bonds existing between atoms. The success of linking atoms in two and three dimensions to construct extended framework structures moved the chemistry of COFs beyond the structures to methodologies, highlighting the possibility of prospective applications. Although structure to property relation in COFs has led to fascinating properties, chemical stability, processability and scalability were some of the important challenges that needed to be overcome for their successful implementation. In this Perspective, we take a closer look at the growth of COFs from mere supramolecular structures to potential industrializable materials.}, doi = {10.1021/jacs.8b10334}, author = {Kandambeth, S. and Dey, K. and Banerjee, R.} } @article {45430, title = {CSGID solves structures and identifies phenotypes for five enzymes in toxoplasma gondii}, journal = {Frontiers in Cellular and Infection Microbiology}, volume = {8}, year = {2018}, month = {OCT}, type = {Article}, abstract = {

Toxoplasma gondii, an Apicomplexan parasite, causes significant morbidity and mortality, including severe disease in immunocompromised hosts and devastating congenital disease, with no effective treatment for the bradyzoite stage. To address this, we used the Tropical Disease Research database, crystallography, molecular modeling, and antisense to identify and characterize a range of potential therapeutic targets for toxoplasmosis. Phosphoglycerate mutase II (PGMII), nucleoside diphosphate kinase (NDK), ribulose phosphate 3-epimerase (RPE), ribose-5-phosphate isomerase (RPI), and ornithine aminotransferase (OAT) were structurally characterized. Crystallography revealed insights into the overall structure, protein oligomeric states and molecular details of active sites important for ligand recognition. Literature and molecular modeling suggested potential inhibitors and druggability. The targets were further studied with vivoPMO to interrupt enzyme synthesis, identifying the targets as potentially important to parasitic replication and, therefore, of therapeutic interest. Targeted vivoPMO resulted in statistically significant perturbation of parasite replication without concomitant host cell toxicity, consistent with a previous CRISPR/Cas9 screen showing PGM, RPE, and RPI contribute to parasite fitness. PGM, RPE, and RPI have the greatest promise for affecting replication in tachyzoites. These targets are shared between other medically important parasites and may have wider therapeutic potential.

}, issn = { 2235-2988}, doi = {10.3389/fcimb.2018.00352}, author = {Lykins, Joseph D. and Filippova, Ekaterina V and Halavaty, Andrei S. and Minasov, George and Zhou, Ying and Dubrovska, Ievgeniia and Flores, Kristin J. and Shuvalova, Ludmilla A. and Ruan, Jiapeng and El Bissati, Kamal and Dovgin, Sarah and Roberts, Craig W. and Woods, Stuart and Moulton, Jon D. and Moulton, Hong and Mcphillie, Martin J. and Muench, Stephen P. and Fishwick, Colin W. G. and Sabini, Elisabetta and Shanmugam, Dhanasekaran and Roos, David S. and Mcleod, Rima and Anderson, Wayne F. and Ngo, Huan M.} } @article {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 {44445, title = {Curcumin-artemisinin coamorphous solid: Xenograft model preclinical study}, journal = {Pharmaceutics}, volume = {10}, year = {2018}, month = {MAR}, pages = {Article Number: 7}, abstract = {Curcumin is a natural compound present in Indian spice turmeric. It has diverse pharmacological action but low oral solubility and bioavailability continue to limit its use as a drug. With the aim of improving the bioavailability of Curcumin (CUR), we evaluated Curcumin-Pyrogallol (CUR-PYR) cocrystal and Curcumin-Artemisinin (CUR-ART) coamorphous solid. Both of these solid forms exhibited superior dissolution and pharmacokinetic behavior compared to pure CUR, which is practically insoluble in water. CUR-ART coamorphous solid showed two fold higher bioavailability than CUR-PYR cocrystal (at 200 mg/kg oral dose). Moreover, in simulated gastric and intestinal fluids (SGF and SIF), CUR-ART is stable up to 3 and 12 h, respectively. In addition, CUR-PYR and CUR-ART showed no adverse effects in toxicology studies (10 times higher dose at 2000 mg/kg). CUR-ART showed higher therapeutic effect and inhibited approximately 62\% of tumor growth at 100 mg/kg oral dosage of CUR in xenograft models, which is equal to the positive control drug, doxorubicin (2 mg/kg) by i.v. administration.}, doi = {10.3390/pharmaceutics10010007}, author = {Mannava, M. K. Chaitanya and Suresh, Kuthuru and Bommaka, Manish Kumar and Konga, Durga Bhavani and Nangia, Ashwini} } @article {44596, title = {Cyclohexylation of resorcinol with cyclohexanol catalyzed by tungstophosphoric acid supported zirconia catalysts}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {18}, year = {2018}, month = {APR}, pages = {2986-2992}, abstract = {

We demonstrate a highly active and reusable heterogeneous catalyst system, tungstophosphoric acid (TPA) supported on zirconia (ZrO2), for the cyclohexylation of resorcinol by cyclohexanol to produce value added chemicals such as 2-cyclohexyl resorcinol, 4-cyclohexyl resorcinol and 3-Hydroxy cyclohexyl phenyl ether under liquid phase reaction condition. TPA/ZrO2 catalysts prepared with different TPA loadings (5-30 wt.\%) by wet impregnation method and calcined in the temperature range of 650-850 degrees C were characterized by Nitrogen sorption analysis, XRD, FTIR, DTG and DTA, and P-31 MAS NMR spectroscopy. Among the catalysts studied, 15 wt.\% TPA/ZrO2 catalyst calcined at 750 degrees C gave the highest conversion of resorcinol (51.2\%) with the selectivities for 3-Hydroxy cyclohexyl phenyl ether (53.9\%) and 2-cyclohexyl resorcinol and 4-cyclohexyl resorcinol together (46.1\%) under optimum reaction conditions. However, the selectivity of the products were controlled by varying the reaction conditions. At higher conversion of resorcinol (78.9\%), only C-alkylated products were formed at 200 degrees C with 15 wt.\% TPA/ZrO2 catalyst calcined at 750 degrees C. The combination of TPA and ZrO2 coupled with calcination temperature offered an excellent platform for the conversion of resorcinol into O- or C-alkylated products.

}, keywords = {15\% TPA/ZrO2, Cyclohexanol, Cyclohexylation, Keggin TPA, Resorcinol}, issn = {1533-4880}, doi = {10.1166/jnn.2018.14342}, author = {Balasubramanian, V. V. and Devassay, B. M. and Halligudi, S. B. and Deepika, R. and Umbarakar, S. B. and Vinu, A.} } @article {45465, title = { Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group }, journal = {Dalton Transactions }, volume = {47}, year = {2018}, month = { NOV}, pages = { 15835-15844}, type = {Article }, abstract = {The reaction of [CH{(CMe)(2,6-iPr(2)C(6)H(3)N)}(2)]GeCl with LiN(SiMe3)(2) was previously reported, which led to the formation of a hetero-fulvene type germylene, [CH{(CMe)(C?CH2)(2,6-iPr(2)C(6)H(3)N)}(2)]Ge through the deprotonation of the C-H bond from the methyl substituents. In this paper, we attempted the analogous reaction with (Dipp)NCMeCHCOMeGeCl using LiN(SiMe3)(2) which gave rise to a metathesis product, (Dipp)NCMeCHCOMeGeN(SiMe3)(2) (2). However, the reactions of 2 with [M2Cl2(-Cl)(2)((5)-Cp*)(2)] (M = Rh and Ir) resulted in cyclometallated Rh and Ir complexes through the activation of the C-H bond from the germylene ligand. The complexes were characterized by single crystal X-ray analysis, which authenticated the presence of Ge-Rh and Ge-Ir bonds. DFT studies have been performed to understand the mechanism.}, issn = {1477-9226}, doi = { 10.1039/c8dt03166e}, author = {Bakthavachalam, K. and Dutta, Sayan and Arivazhagan, C. and Raghavendra, Beesam and Haridas, Anagha and Sen, Sakya S. and Koley, Debasis and Ghosh, Sundargopal} } @article {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 {44211, title = {Deposition of Au nanoparticles inside porous CeO2 nanocubes using Langmuir-Blodgett technique}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN }, pages = {1379-1386}, type = {Article}, abstract = {

Porous 3D CeO2 nanocubes were synthesized using hot injection technique. These nanocubes were able to form a stable monolayer over water and HAuCl4 subphase in Langmuir-Blodgett (LB) trough due to the presence of surface capped oleic acid and oleylamine. CeO2-Au nanocomposites were synthesized exploiting the ability of oleylamine to reduce AuCl4 ions to Au-0, via LB method. CeO2 nanocubes gave rise to excellent long-range assembly at air/water interface and gold nanoparticles were formed inside these porous nanocubes without disturbing this arrangement. The formation of a stable monolayer was evidenced from the surface pressure-area (P-A) isotherm. The development of Au nanoparticles was confirmed with great effort from a comprehensive study using UV-Vis spectroscopy, XRD, XPS, FTIR, TEM, STEM, EDX, tomography and chemical mapping.

}, issn = {1144-0546}, doi = {10.1039/c7nj03948d}, author = {Das, Subhasis and Bhattacharjee, Gourab and Satpati, Biswarup and Kumar, Mukesh and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {44451, title = {Design and synthesis of 2-amino-thiophene-tethered ureidopenicillin analogs with potentantibacterial and antitubercular activity}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {3122-3126}, abstract = {Ureidopenicillins are a class of penicillins which are antibiotics active against gram-negative bacteria. Herein, we report the synthesis of 2-aminothiophene-tethered ureidopenicillin analogues and their in vitro antibacterial and antitubercular activity. Intriguingly, unlike the reported ureidopenicillins which are active against gram-negative bacteria, the synthesised 2-aminothiophene-tethered ureidopenicillins were significantly active against Gram-positive bacterial strains and showed moderate inhibition towards gram-negative bacterial strains. Among all the analogs, compound 1b containing 2-aminothiophene moiety with minimum inhibitory concentration (MIC): 0.29, 0.32, > 10, > 10 mg/ml for Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa, respectively, showed better anti-bacterial profile as compared to cephalexin and equipotent to ampicillin and amoxicillin on gram-positive bacterial strains. All the derivatives were also screened for anti-TB activity against mycobacterium tuberculosis H37Ra. Among the series, cycloocta-thiophene-tethered cephalexin analog 3c displayed excellent antitubercular activity with MIC values 0.78 mg/ml. Low cytotoxicity and high selectivity index indicate the efficacy of 3c against mycobacterial infections. The results from present study offer a novel approach to modify the existing drug class of ureidopenicillins to yield antimicrobials with promising utility.}, doi = {10.1002/slct.201800027}, author = {Wagh, Mahendra A. and Baravkar, Sachin B. and Jedhe, Ganesh S. and Borkute, Rachna and Choudhari, Amit S. and Sarkar, Dhiman and Sanjayan, Gangadhar J.} } @article {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 {44615, title = {Direct access to N-alkylated amines and imines via acceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3469-3473}, abstract = {

A simple, phosphine-free Co(ii)-NNN pincer complex catalyzed direct N-alkylation of anilines with alcohols via hydrogen auto-transfer (HA) and selective acceptorless dehydrogenative coupling (ADC) of benzylamines with alcohols affording imines with the liberation of molecular hydrogen and water is reported.

}, issn = {2044-4753}, doi = {10.1039/c8cy00859k}, author = {Midya, Siba P. and Pitchaimani, Jayaraman and Landge, Vinod G. and Madhu, Vedichi and Balaraman, Ekambaram} } @article {45368, title = {Direct synthesis of diethyl carbonate from ethanol and carbon dioxide over ceria catalysts}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {NOV}, pages = {17546-17552}, type = {Article}, abstract = {

Direct synthesis of diethyl carbonate (DEC) by carboxylation of ethanol with CO2 was investigated over ceria catalysts. 2-Cyanopyridine (2-CP) was used for trapping water formed in the reaction and to shift the equilibrium towards the product side. An optimal dependence (volcanic plot) of the catalytic activity on the acidity/basicity molar ratio was observed. Neat ceria (procured from Daiichi Kigenso Kagaku Kogyo Co. Ltd, Japan) showed higher catalytic activity than metal incorporated ceria catalysts. CeO2 had the right kind of acidity/basicity ratio to activate ethanol and CO2 simultaneously, yielding DEC. The catalyst was reusable. The yield of DEC obtained in this study using the commercial catalyst was higher than that reported by others using ceria catalysts prepared by other methods. Under optimum conditions (ethanol:2-CP molar ratio = 2:1, catalyst = 2.17 wt\% with respect to ethanol, CO2 pressure = 40 bar, reaction temperature = 150 degrees C and reaction time = 3 h) in a batch reaction, a DEC yield as high as 45 mol\% (i.e., 38.7 mmol mmol(-1) of CeO2) was obtained.

}, issn = { 1144-0546}, doi = {10.1039/c8nj04090g}, author = {Giram, Ganesh G. and Bokade, Vijay V. and Darbha, Srinivas} } @article {44456, title = {Diversity in binding, regulation, and evolution revealed from high-throughput ChIP}, journal = {PLoS Computational Biology}, volume = {14}, year = {2018}, month = {APR}, pages = {Article Number: e1006090}, abstract = {

Genome-wide in vivo protein-DNA interactions are routinely mapped using high-throughput chromatin immunoprecipitation (ChIP). ChIP-reported regions are typically investigated for enriched sequence-motifs, which are likely to model the DNA-binding specificity of the profiled protein and/or of co-occurring proteins. However, simple enrichment analyses can miss insights into the binding-activity of the protein. Note that ChIP reports regions making direct contact with the protein as well as those binding through intermediaries. For example, consider a ChIP experiment targeting protein X, which binds DNA at its cognate sites, but simultaneously interacts with four other proteins. Each of these proteins also binds to its own specific cognate sites along distant parts of the genome, a scenario consistent with the current view of transcriptional hubs and chromatin loops. Since ChIP will pull down all X-associated regions, the final reported data will be a union of five distinct sets of regions, each containing binding sites of one of the five proteins, respectively. Characterizing all five different motifs and the corresponding sets is important to interpret the ChIP experiment and ultimately, the role of X in regulation. We present DIVERSITY which attempts exactly this: it partitions the data so that each partition can be characterized with its own de novo motif. DIVERSITY uses a Bayesian approach to identify the optimal number of motifs and the associated partitions, which together explain the entire dataset. This is in contrast to standard motif finders, which report motifs individually enriched in the data, but do not necessarily explain all reported regions. We show that the different motifs and associated regions identified by DIVERSITY give insights into the various complexes that may be forming along the chromatin, something that has so far not been attempted from ChIP data. Webserver at nci.res.i, if; standalone (Mac OS X/Linux) from from https://github.com/NarlikarLab/DIVERSITY/releases/tag/v1.0.0.

}, doi = {10.1371/journal.pcbi.1006090}, author = {Mitra, Sneha and Biswas, Anushua and Narlikar, Leelavati} } @article {44457, title = {Draft genome sequence of Marinomonas fungiae strain AN44T (JCM 18476T), isolated from the coral Fungia echinata from the Andaman Sea}, journal = {Genome Announcements}, volume = {6}, year = {2018}, month = {MAR}, abstract = {Marinomonas fungiae strain AN44Twas isolated from mucus of the coralFungia echinataOptimum growth occurs at 3 to 5\% NaCl. The draft genome is 4.2 Mb, with 3,776 protein-coding genes. It harbors genes for the degradation of aromatic compounds, such as quinate, ferulate,p-coumarate, protocatechuate, andp-hydroxyphenylacetate.}, doi = {10.1128/genomeA.00112-18}, author = {Kumari, Prabla and Badhai, Jhasketan and Das, Subrata K.} } @article {44458, title = {Easily accessible lithium compound catalyzed mild and facile hydroboration and cyanosilylation of aldehydes and ketones}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, abstract = {Simple and readily accessible lithium compounds such as 2,6-ditertbutyl phenolate lithium (1a), 1,1{\textquoteright} dilithioferrocene (1b) and nacnac lithium (1c) are found to be efficient single site catalysts for hydroboration of...}, doi = {10.1039/C8CC02314J}, author = {Bisai, Milan and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {44189, title = {Effect of alkali and alkaline earth metal on Co/CeO2 catalyst for the water gas shift reaction of waste derived synthesis gas}, journal = {Applied Catalysis A-General}, volume = {551}, year = {2018}, month = {FEB }, pages = {63-70}, type = {Article}, abstract = {

We prepared a series of alkali (Na and K) and alkaline earth metal (Ca and Ba) promoted Co/CeO2 catalysts to investigate the effect of the promoter on the catalytic performance of the catalyst in the high-temperature water gas shift (WGS) reaction of waste derived synthesis gas. Interestingly, alkali metal promoted catalysts deactivated rapidly compared to alkaline earth metal promoted catalysts. Alkaline earth metal promoted catalysts showed relatively higher stability (\>50 h) even at a very high gas hourly space velocity of 143,000 h(-1). X-ray diffraction (XRD) and transmission electron microscopy (TEM) results reveal that the higher stability of the alkaline earth metal promoted catalysts was due to the strong resistance to sintering, showing a relatively small crystallite size of metallic cobalt compared to the alkali metal promoted catalysts after WGS reaction.

}, keywords = {Alkaline earth metal, Co/CeO2, High temperature water-gas shift, Sintering resistance, stability, Waste derived synthesis gas}, issn = {0926-860X}, doi = {10.1016/j.apcata.2017.12.009}, author = {Lee, Yeol-Lim and Jha, Ajay and Jang, Won-Jun and Shim, Jae-Oh and Rode, Chandrashekhar V. and Jeon, Byong-Hun and Bae, Jong Wook and Roh, Hyun-Seog} } @article {44335, title = {Effect of titration time on the catalytic performance of Cu/CeO2 catalysts for water-gas shift reaction}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {83-88}, type = {Article}, abstract = {We herein report the preparation of ceria (CeO2) via a simple precipitation method for use as a catalyst support in the water-gas shift (WGS) reaction. More specifically, we optimized the titration time required to obtain highly active CeO2-supported catalysts for the WGS reaction. As such, Cu was employed as the active metal coupled with the CeO2 support. Notably, the CeO2-0 supported Cu catalyst (where the precipitant was immediately injected into a cerium nitrate solution) exhibited the highest CO conversion at a gas hourly space velocity of 36,050 h(-1). This high catalytic activity of the Cu/CeO2-0 catalyst was mainly due to its high Brunauer-Emmett-Teller (BET) surface area, enhanced Cu dispersion, high number of oxygen vacancies, and enhanced reducibility.}, issn = {09205861}, doi = {10.1016/j.cattod.2017.10.007}, author = {Na, Hyun-Suk and Shim, Jae-Oh and Jang, Won-Jun and Jeon, Kyung-Won and Kim, Hak-Min and Lee, Yeol-Lim and Lee, Da-We and Yoo, Seong-Yeun and Bae, Jong Wook and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article {44605, title = {Efficient solar light-driven H-2 production: post-synthetic encapsulation of a Cu2O co-catalyst in a metal-organic framework (MOF) for boosting the effective charge carrier separation}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3286-3294}, abstract = {

The development of new and efficient catalytic systems for solar light-driven hydrogen generation is one of the prime focuses of contemporary chemical sciences. Indeed, the charge carrier separation efficiency of a photocatalyst plays a vital role in photocatalysis. Herein, we have successfully designed a Cu2O-encapsulating NH2-MIL-125(Ti) MOF by a post-synthetic encapsulation strategy. The Cu2O-encapsulating MOF material showed a remarkable enhancement in photocatalytic H-2 production activity under solar light illumination. Gratifyingly, the H-2 production activity under solar light was around approximate to 28-fold higher than that of the pristine MOF. The enhancement in photocatalytic activity may be attributed to efficient charge carrier separation through Ti3+ sites and the broad light absorption of the Cu2O-encapsulating MOF photocatalyst. The possible electron transport mechanism, potential energy diagram (V vs. NHE), and the existence of Ti3+ ions have been demonstrated by various spectroscopic studies.

}, issn = {2044-4753}, doi = {10.1039/c8cy00604k}, author = {Karthik, Peramaiah and Balaraman, Ekambaram and Neppolian, Bernaurdshaw} } @conference {44661, title = {Electronic structure of Gd based transition metal antimonides GdTSb (T = Ni, Pt)}, booktitle = {2nd International Conference on Condensed Matter and Applied Physics (ICC-2017)}, year = {2018}, month = {NOV}, publisher = {Govt Engn Coll Bikaner; DST; DAE BRNS}, organization = {Govt Engn Coll Bikaner; DST; DAE BRNS}, address = {2 Huntington Quadrangles, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

We report the electronic and magnetic properties of ternary GdNiSb and GdPtSb compounds with cubic MgAgAs type structure. The energy bands, density of states and atom specific magnetic moments of compounds have been computed using GGA+U approach. The calculations predict that GdNiSb is a small band gap semiconductor whereas GdPtSb is metallic in nature.

}, isbn = {978-0-7354-1648-2}, doi = {10.1063/1.5033035}, author = {Sahariya, Jagrati and Kumar, Pancham and Bhamu, K. C. and Soni, Amit}, editor = {Shekhawat, MS and Bhardwaj, S and Suthar, B} } @article {44200, title = {Electrospinning of non-ionic cellulose ethers/polyvinyl alcohol nanofibers: characterization and applications}, journal = {Carbohydrate Polymers}, volume = {181}, year = {2018}, month = {FEB }, pages = {175-182}, type = {Article}, abstract = {

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

}, keywords = {cellulose, drug delivery, electrospinning, Ethyl hydroxy ethyl cellulose, Hydrophobically modified ethyl hydroxy ethyl, scaffold, Spin coating}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2017.10.070}, author = {Wali, Ashwini and Zhang, Yucheng and Sengupta, Poulomi and Higaki, Yuji and Takahara, Atsushi and Badiger, Manohar V.} } @article {45494, title = {Elucidating efficacy of biomass derived nanocomposites in water and wastewater treatment}, journal = {Journal of environmental management }, volume = {226}, year = {2018}, month = {NOV}, pages = { 95-105}, type = {Article }, abstract = {In the present study, two synthesis methods of nanocomposites-one involving a mixture of biomass and the other using chemical modification were investigated to evaluate practical application of green approach in pollution control, specifically for water and wastewater treatment. Newer multifunctional superparamagnetic nanocomposites using biomaterials such as unripened fruit of Cassia fistula (Golden shower) and Aloe vera were developed as an example of green approach while chemical modification was illustrated using n-octanol. Two specific model applications were studied for the developed materials-dye removal (Methyl Blue and Congo Red) and disinfection-demonstrating antimicrobial property. To elucidate the multifunctional character, the texture, morphology and composition of the prepared bionanocomposites were studied. The surface area values were 6.2 and 9.8 m(2)/g for Aloe vera and octanol based nanocomposites while the average pore diameters were 1.79 nm and 5.7 nm respectively, indicating presence of highly developed micropores in the first material having a honeycomb shape and the later showing excellent staircase type formation with larger pores. A very high dye removal to the extent of 100\% was obtained that can be attributed largely to the functionalities imparted from Cassia fistula compared to ingredients from Aloe vera and octanol. The nanomaterials could be completely separated with absolute ease by applying simple magnetic field. Also, successful application of the developed materials in disinfection, removal of E. coif, was demonstrated with a very high efficiency of over 95\%. The biomass derived nanocomposites exhibit excellent pollutant removal and disinfection properties, even at very low nanoparticle content; octanol based material indicating similar to 5 times lowered cost, while the Aloe vera based bionanocomposites have potential for cost reduction to the extent of 10 times as compared to only magnetite nanoparticles, thereby highlighting techno-economical alternative in water and wastewater treatment.}, issn = { 0301-4797}, doi = {10.1016/j.jenvman.2018.08.028}, author = {Kirti, Saumaya and Bhandari, Vinay M. and Jena, Jyotsnarani and Bhattacharyya, Arnab S} } @article {45358, title = {Employing arynes for the generation of aryl anion equivalents and subsequent reaction with aldehydes}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {SEP}, pages = {11333-11340}, type = {Article}, abstract = {

Arynes are highly reactive intermediates, which are utilized for the electrophilic arylation of various X-H bonds (X = O, N, S etc.). Herein, a new synthetic strategy is demonstrated, where arynes are converted into aryl anion equivalents by treatment with phosphines and a base. The addition of phosphines to arynes form the phosphonium salts, which in the presence of a carbonate base generates the aryl anion equivalent. Subsequent addition of the aryl anions with aldehydes afforded the secondary alcohols.

}, doi = {10.1021/acs.joc.8b01549}, author = {Gaykar, Rahul N. and Bhunia, Anup and Biju, Akkattu T.} } @article {45481, title = {Enantioselective N-heterocyclic carbene-catalyzed cascade reaction for the synthesis of pyrroloquinolines via N-H functionalization of indoles}, journal = {Organic letters }, volume = {20}, year = {2018}, month = {NOV}, pages = {6998-7002}, type = {Article }, abstract = {Functionalization of the indole N-H bond for enantioselective synthesis of biologically important pyrroloquinoline derivatives has been reported under oxidative N-heterocyclic carbene catalysis conditions. The interception of catalytically generated chiral alpha,beta-unsaturated acylazoliums with the indole derivatives proceeds in an aza-Michael/Michael/lactonization sequence to deliver the pyrroloquinoline derivatives in good yields, diastereoselectivities, and enantioselectivities. The simultaneous enhancement of reactivity and selectivity observed in polar aprotic solvents is noteworthy.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02820}, author = {Mukherjee, Subrata and Shee, Sayan and Poisson, Thomas and Besset, Tatiana and Biju, Akkattu T.} } @article {44202, title = {Enhanced strain sensitivity in magnetostrictive spinel ferrite Co1-xZnxFe2O}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {447}, year = {2018}, month = {FEB}, pages = {150-154}, type = {Article}, abstract = {

We report the magnetic and magnetoelastic properties of spinel oxide system Co1-xZnxFe2O4 (CZF series) where x = 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5. All the composition were prepared by conventional solid state synthesis method and exhibited pure spinel phase formation. The lattice parameters showed gradual increase indicating uniform distribution Zn ions in cobalt ferrite lattice. The magnetic properties such as saturation magnetization and coercive field were drastically affected with Zn substitution showing enhanced saturation magnetization and a sharp decrease in the coercivity. The room temperature magnetostrictive properties showed a promising 30\% enhancement in the slope of magnetostriction curve for x = 0.2 composition and a reasonable magnetostrictive strain of 110 ppm indicating its suitability as a promising magnetostrictive material. (c) 2017 Elsevier B.V. All rights reserved.

}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2017.09.075}, author = {Bhame, Shekhar D. and Joy, P. A.} } @article {45542, title = {Enhancement of field electron emission in topological insulator Bi2Se3 by Ni doping}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {JUN}, pages = {18429-18435}, type = {Article}, abstract = {Nanostructures of bismuth selenide (Bi2Se3), a 3D topological insulator material, and nickel (Ni) doped Bi2Se3 samples were prepared by a hydrothermal method to explore the field emission properties. An enrichment in the field electron emission (FE) properties in terms of the threshold and turn-on field values of Bi2Se3 and Ni doped Bi2Se3 nanostructures was measured at a base pressure of \~{}1 {\texttimes} 10-8 mbar. Using the background of the Fowler{\textendash}Nordheim (FN) theory a field enhancement factor (β) of 5.7 {\texttimes} 103 and a threshold field value of 2.5 V μm-1 for 7.5\% Ni doped Bi2Se3 were determined by investigating the J{\textendash}E plot of the FE data. The value of β is three times higher than that of pure Bi2Se3 confirming the superior FE properties. The emission current was found to be very stable with the property of long standing durability as a negligible amount of variation was observed when measured at a constant value of 5 mA for 3 hours. The experimental results signify many opportunities for potential applications of Ni doped Bi2Se3 as a source of electrons in scanning as well as transmission electron microscopy, flat panel displays and as an X-ray generator, etc.}, doi = {10.1039/c8cp01982g}, author = {Mazumder, K. and Sharma, A. and Kumar, Y. and Bankar, P. and More, M. A. and Devan, R. and Shirage, P. M.} } @article {45448, title = {Entacapone: improving aqueous solubility, diffusion permeability, and cocrystal stability with theophylline}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {OCT}, pages = {6061-6069}, type = {Article}, abstract = {Cocrystallization is a well-established technique to improve the solubility, bioavailability, and stability of active pharmaceutical ingredients (APIs) but permeability and diffusion rate control via cocrystals is relatively less well studied, and the exact role of coformers in influencing the diffusion rate of drug cocrystals is still not fully understood. The aqueous solubility and permeability diffusion of Entacapone, ETP, a Biopharmaceutical Classification System (BCS) Class IV drug of low solubility and low permeability, with Generally Regarded as Safe (GRAS) coformers has been studied. Fixed stoichiometry cocrystals of ETP with acetamide (ACT, 1:1), nicotinamide (NAM, 1:1), isonicotinamide (INAM, 1:1), pyrazinamide (PYZ, 1:1), and isoniazid (INZ), 1:1) were prepared by solvent-assisted grinding. Theophylline (THP) resulted in a cocrystal hydrate (ETP-THP-FIYD 1:1:1). The cocrystals were structurally characterized by single crystal and powder X-ray diffraction, DSC and TGA thermal measurements, and IR and NMR spectroscopy. Solubility and dissolution rate showed that there is a correlation between cocrystal stability and solubility governed by the heteromeric N-H center dot center dot center dot O, O-H center dot center dot center dot N, and O-H center dot center dot center dot O hydrogen bonds and conformational changes of ETP in cocrystal structures. ETP-THP-HYD and ETP-PYZ exhibit faster dissolution rate and high solubility and they are stable in phosphate buffer medium compared to the other cocrystals which dissociate partially during solubility experiments. Diffusion rates in a Franz cell showed that the stable and high solubility ETP-THP-HYD cocrystal has good permeability. Given that stability, solubility, and permeability are in general inversely correlated, the entacapone-theophylline hydrate cocrystal is a unique example of the thermodynamically stable cocrystal exhibiting high solubility and high permeability.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00921}, author = {Bommaka, Manish Kumar and Mannava, M. K. Chaitanya and Suresh, Kuthuru and Gunnam, Anilkumar and Nangia, Ashwini} } @article {45492, title = {Evaluation of humidity sensor based on PVP-RGO nanocomposites}, journal = {IEEE sensors journal }, volume = {18}, year = {2018}, month = {NOV}, pages = {9097-9104}, type = {Article }, abstract = {

his paper describes the humidity sensing properties of one step in situ synthesized poly (N-vinyl pyrrolidone)- reduced graphene oxide (PVP-RGO) nanocomposites. Different PVP-RGO nanocomposites were obtained by varying PVP/GO weight \%ratio as x/50 mg, wherein x = 25, 50, and 75 mg, respectively. The real-time adsorption kinetics of the water molecules during the humidity sensing were also discussed using Elovich model, pseudo first and second order equations. The increase in humidity response of 1.5 PVP-RGO nanocomposite is attributed to the presence of large amount of oxygen functionalities. The above observation was corroborated using spectroscopic analysis. The optimized PVP-RGO nanocomposite showed faster response kinetics with response and recovery times of 10 and 20 s, respectively. The present humidity sensor shows remarkable linearity over the range of 20-90\%RH. More specifically, sensitivity was correlated with oxygen functionalities created due to variation of PVP during the functionalization of RGO nanosheets.

}, issn = { 1530-437X}, doi = {10.1109/JSEN.2018.2870324}, author = {Bhangare, Bhagyashri and Jagtap, Shweta and Ramgir, Niranjan and Waichal, Rupali and Muthe, K. P. and Gupta, S. K. and Gadkari, Sanjay C. and Aswal, D. K. and Gosavi, Suresh} } @article {44243, title = {Excited state intramolecular proton transfer in 1,8-Dihydroxy-9,10-anthraquinone dye: Revealing microstructures in [C(n)mIm][NTf2] and [C(n)mIm][BF4] series of ionic liquid solvents}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {350}, year = {2018}, month = {JAN }, pages = {111-121}, type = {Article}, abstract = {

Excited state intramolecular proton transfer (ESIPT) in 18-dihydroxy-9,10-anthraquinone (18DHAQ) dye has been investigated in two series of 1-alkyl-3-methylimidazolium ([C(n)mIm](+)) based ionic liquid (IL) solvents, [C(n)mlm][NTf2] and [C(n)mlm][BF4], with n = 2, 4, 6, 8 and 10, using steady-state (SS) and time resolved (TR) fluorescence studies. In both the IL series, fluorescence intensity for tautomer (T*) form gradually decreases relative to normal (N*) form with increasing n value for [C(n)mlm](+) cations. Observed results suggest microstructure formation and its consequent effect on the ESIPT process of the dye in these IL solvents. Since more extensive microstructures are likely with larger n values of [C(n)mIm](+) cations, the dye is expectedly solubilized more in the polar microdomains of the solvent microstructures, resulting better stabilization for the more dipolar N* state and hence a higher emission intensity from this state. This proposition is clearly supported by ultrafast (sub-picosecond) fluorescence kinetics for both N* and T* states, though sub-nanosecond TR results indicate very similar fluoresce decays for both N* and T*, suggesting an eventual kinetic equilibrium between two states subsequent to the initial ultrafast and fast forward and backward ESIPT processes. Small differences between the results in the [C(n)mIm][NTf2] and [C(n)mIm][BE4] series of ILs are attributed to dissimilar size, shape and basicity of [NTf2]- and [BF4]- anions, responsible for some characteristic changes in the microstructures formed in the respective solvent series. To the best of our knowledge, present study is the only report demonstrating modulations in the ESIPT process through microstructure formations in neat [C(n)mIm](+) based IL solvents. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {1, 1-Alkyl-3-methylimidazolium ionic liquids, 8-Dihydroxyanthraquinone, Emission modulations of tautomeric forms, ESIPT process, Microstructure formation}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2017.09.073}, author = {Beniwal, Vijay and Kumar, Anil and Pal, Haridas} } @article {45410, title = { Excited-state prototropism of 7-hydroxy-4-methylcoumarin in [C(n)mim][BF4] series of ionic liquid-water mixtures: insights on reverse micelle-like water nanocluster formation}, journal = {Photochemical \& Photobiological Sciences}, volume = {17}, year = {2018}, month = {SEP}, pages = {1256-1266}, type = {Article}, abstract = {This study explores the excited state prototropic behavior of the fluorophore, 7-hydroxy-4-methylcoumarin (7H4MC), in the [C(n)mim][BF4] (n = 2, 4, 6, 8, 10) series of ionic liquid (IL)-water mixtures at low water contents. In pure IL media, 7H4MC exists in the neutral form in both ground and excited states. However, on addition of water to the ILs, the excited neutral form of the dye is gradually converted to the anionic and the tautomeric species, leading to characteristic changes in the emission spectra. The similarity in the spectral features of 7H4MC in the IL-water system with that in a conventional reverse micelle system rather than with organic solvent-water mixtures, suggests that in the presence of water, the ILs are organized into reverse micelle-like structures with the consequent formation of confined water pockets. The results further suggest that formation of water nanoclusters and the ensuing changes in excited state prototropic behavior of the dye, is facilitated by increase in the alkyl chain length of the IL cation. These propositions are supported by time-resolved fluorescence studies. To the best of our knowledge this is the first report on proton transfer reaction in IL-water mixtures at low water contents. Considering that ILs are useful as solvents and surfactants, and IL-water mixtures in particular have applications in chemical extractions and biocatalysis, an understanding of the structural organization and water pool formation in these systems is quite important. The insights obtained from the prototropic transformations of 7H4MC are significant not only for fundamental self-assembly studies, but also for the development of ILs as chemical reaction media.}, doi = {10.1039/c8pp00132d}, author = {Beniwal, Vijay and Kumar, Anil and Pal, Haridas and Choudhury, Sharmistha Dutta} } @article {44473, title = {Exploiting functionalities of biomass in nanocomposite development: application in dye removal and disinfection along with process intensification}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {JUL}, pages = {981-994}, abstract = {A green synthesis of multifunctional superparamagnetic nanocomposites using the whole unripened fruit of Cassia fistula (Golden shower) with potential for removal of both cationic and anionic dyes and antimicrobial property is reported for the first time in the present work. A natural medium in the form of clarified butter was used to enhance the multifunctional character. The surface morphology, textural characteristics and composition of the prepared nanoparticles and composites were studied to understand the multifunctional nature. The dye removal was investigated for four different dyes, namely methyl blue, Congo red, rhodamine-B and auramine. Iron nanoparticles were largely effective in the removal of acidic dyes, while the magnetic nanocomposites were effective for the removal of both acidic and basic dyes which can be attributed to the functionalities imparted from Cassia fistula and clarified butter. The dye removal behavior can be significantly enhanced (similar to 50\%) using process intensification-adsorption coupled with acoustic cavitation, which also indicated a reduced adsorbent loading as compared to the conventional adsorptive dye removal. The nanomaterials were completely separated from dye solution with absolute ease of separation by applying simple magnetic field. Also, the developed materials were useful in disinfection of E. coli with a high efficiency of 90\% confirming significant antimicrobial property at lower concentrations.}, doi = {10.1007/s10098-018-1519-1}, author = {Kirti, Saumaya and Bhandari, Vinay M. and Jena, Jyotsnarani and Sorokhaibam, Laxmi Gayatri and Bhattacharyya, Arnab S.} } @article {44616, title = {Flexible composite mechanical energy harvester from a ferroelectric organoamino phosphonium salt}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {JUL}, pages = {9054-9058}, abstract = {

A new binary organic salt diphenyl diisopropylamino phosphonium hexaflurophosphate (DPDPPF6) was shown to exhibit a good ferroelectric response and employed for mechanical energy harvesting application. The phosphonium salt crystallizes in the monoclinic noncentrosymmetric space group Cc and exhibits an H-bonded 1D chain structure due to N-HF interactions. Ferroelectric measurements on the single crystals of DPDPPF6 gave a well-saturated rectangular hysteresis loop with a remnant (P-r) polarization value of 6Ccm(-2). Further, composite devices based on polydimethylsiloxane (PDMS) films for various weight percentages (3, 5, 7, 10 and 20wt\%) of DPDPPF6 were prepared and examined for power generation by using an impact test setup. A maximum output peak-to-peak voltage (V-PP) of 8.5V and an output peak-to-peak current (I-PP) of 0.5A was obtained for the non-poled composite film with 10wt\% of DPDPPF6. These results show the efficacy of organic ferroelectric substances as potential micropower generators.

}, keywords = {binary phosphonium salts, energy conversion, ferroelectricity, hydrogen bonding, polymer composites}, issn = {1433-7851}, doi = {10.1002/anie.201805479}, author = {Vijayakanth, Thangavel and Srivastava, Anant Kumar and Ram, Farsa and Kulkarni, Priyangi and Shanmuganathan, Kadhiravan and Praveenkumar, Balu and Boomishankar, Ramamoorthy} } @article {45381, title = { Flim-Map: gene context based identification of functional modules in bacterial metabolic pathways}, journal = {Frontiers in microbiology}, volume = {9}, year = {2018}, month = {SEP}, type = {Article}, abstract = {Prediction of functional potential of bacteria can only be ascertained by the accurate annotation of its metabolic pathways. Homology based methods decipher metabolic gene content but ignore the fact that homologs of same protein can function in different pathways. Therefore, mere presence of all constituent genes in an organism is not sufficient to indicate a pathway. Contextual occurrence of genes belonging to a pathway on the bacterial genome can hence be exploited for an accurate estimation of functional potential of a bacterium. In this communication, we present a novel annotation resource to accurately identify pathway presence by using gene context. Our tool FLIM-MAP (Functionally Important Modules in bacterial Metabolic Pathways) predicts biologically relevant functional units called {\textquoteright}GCMs{\textquoteright} (Gene Context based Modules) from a given metabolic reaction network. We benchmark the accuracy of our tool on amino acids and carbohydrate metabolism pathways.}, doi = {10.3389/fmicb.2018.02183}, author = {Bhatt, Vineet and Mohapatra, Anwesha and Anand, Swadha and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {44652, title = {Fluorinated nanocellulose-reinforced all-organic flexible ferroelectric nanocomposites for energy generation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {JUL}, pages = {16540-16549}, abstract = {

We report here enhanced ferroelectric crystal formation and energy generation properties of polyvinylidene fluoride (PVDF) in the presence of surface-modified crystalline nanocellulose. Incorporation of only 2-5 wt \% fluorinated nanocellulose (FNC) in PVDF has been found to significantly induce polar beta/gamma-phase crystallization as compared to the addition of unmodified nanocellulose (carboxylated nanocellulose). A device made up of electrically poled PVDF/FNC composite films yielded 2 orders of magnitude higher voltage output than neat PVDF in vibrational energy harvesting. This remarkable increase in energy generation properties of PVDF at such a low loading of an organic natural biopolymer could be attributed to the tailored surface chemistry of nanocellulose, facilitating strong interfacial interactions between PVDF and FNC. Interestingly, energy harvesting devices fabricated from PVDF/FNC nanocomposites charged a 4.7 mu F capacitor at significantly faster rate and the accumulated voltage on capacitor was 3.8 times greater than neat PVDF. The fact that PVDF/FNC nanocomposites still retain a strain at break of 10-15\% and can charge a capacitor in few seconds suggests potential use of these nanocomposites as flexible energy harvesting materials at large strain conditions.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b03470}, author = {Ram, Farsa and Ambone, Tushar and Sharma, Aakash and Murugesan, Rajarathinam and Kajale, Deepak and Borkar, Vivek and Ali, Shaikh Faruque and Balu, Praveen Kumar and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @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 {44642, title = {Fused fluorenylindolenine-donor-based unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {AUG}, pages = {26335-26347}, abstract = {

A series of four unsymmetrical squaraine dyes, XSQ1-4, were synthesized using a fused fluorenylindolenine-based donor unit for dye-sensitized solar cells (DSSCs). The fused structure of fluorenylindolenine helped in moving the absorption toward the near-infrared (NIR) region, and the two sp(3)-C centers available on this donor were utilized to incorporate out-of-plane alkyl chains in opposite directions to control the dye-dye interactions on the TiO2 surface. High extinction coefficient (epsilon \>= 10(5) M-1 cm(-1)) for absorbing NIR photons and suitable highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels with respect to the conduction band of TiO2 and electrolyte for charge injection and dye regeneration processes, respectively, make these dyes potential sensitizers for DSSCs. Introduction of branched alkyl groups in the pi-framework helped in controlling dye aggregation to reduce exciton quenching and assisted in TiO2 surface passivation to avoid the charge recombination process. Furthermore, having a naphthyl group on the indole part of the anchoring group containing segment helped to red-shift the absorption spectrum of dyes 15 nm toward the NIR region (XSQ3-4). Among all of the dyes under investigation, XSQ2 gave the best photovoltaic performance, having a short-circuit current density (J(SC)) of 13.99 mA cm(-2), open -circuit voltage (V-OC) of 0.66 V, and a fill factor (ff) of 0.71, with a device performance (eta) of 6.57\%. Electrochemical impedance spectroscopy revealed higher electron lifetime on TiO2 for XSQ2, which helps to avoid the charge recombination process.

}, keywords = {Dye-sensitized solar cells, fluorenylindolenine, H- and J-type aggregation, NIR absorption, out-of-plane alkyl groups, squaraine dyes}, issn = {1944-8244}, doi = {10.1021/acsami.8b09866}, author = {Bisht, Rajesh and Sudhakar, Vediappan and Kavungathodi, Munavvar Fairoos Mele and Karjule, Neeta and Nithyanandhan, Jayaraj} } @article {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 {44482, title = {Generic and scalable method for the preparation of monodispersed metal sulfide nanocrystals with tunable optical properties}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {MAY}, pages = {5788-5797}, abstract = {

A rational synthetic method that produces monodisperse and air-stable metal sulfide colloidal quantum dots (CQDs) in organic nonpolar solvents using octyl dithiocarbamic acid (C(8)DTCA) as a sulfur source, is reported. The fast decomposition of metal-C(8)DTCA complexes in presence of primary amines is exploited to achieve this purpose. This novel technique is generic and can be applied to prepare diverse CQDs, like CdS, MnS, ZnS, SnS, and In2S3, including more useful and in-demand PbS CQDs and plasmonic nanocrystals of Cu2S. Based on several control reactions, it is postulated that the reaction involves the in situ formation of a metal-C(8)DTCA complex, which then reacts in situ with oleylamine at slightly elevated temperature to decompose into metal sulfide CQDs at a controlled rate, leading to the formation of the materials with good optical characteristics. Controlled sulfur precursor{\textquoteright}s reactivity and stoichiometric reaction between C(8)DTCA and metal salts affords high conversion yield and large-scale production of monodisperse CQDs. Tunable and desired crystal size could be achieved by controlling the precursor reactivity by changing the reaction temperature and reagent ratios. Finally, the photovoltaic devices fabricated from PbS CQDs displayed a power conversion efficiency of 4.64\% that is comparable with the reported values of devices prepared with PbS CQDs synthesized by the standard methods.

}, doi = {10.1021/acs.langmuir.8b00741}, author = {Bera, Abhijit and Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K. and Bhagavatula L. V. Prasad} } @article {45422, title = {Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies}, journal = {Phytochemistry}, volume = {156}, year = {2018}, month = {DEC}, pages = {43-54}, type = {Article}, abstract = {Saraca asoca (Roxb.) De Wilde (Caesalpiniaceae) is a highly traded IUCN red listed tree species used in Ayurvedic medicines for the treatment of various disorders, especially gynaecological problems. However, information about the genetic variations between populations and corresponding variation in specialized metabolites of S. asoca remains unclear. To address this issue, we analysed 11 populations of S. asoca with 106 accessions collected from Western Ghats of India using ISSR markers along with selected phytocompounds using RP-HPLC. Twenty primers were screened, out of which seven were selected for further analysis based on generation of clear polymorphic banding patterns. These seven ISSR primers produced 74 polymorphic loci. AMOVA showed 43\% genetic variation within populations and 57\% among the populations of S. asoca. To estimate the genetic relationships among S. asoca populations, UPGMA and Bayesian Models were constructed, which revealed two clusters of similar grouping patterns. However, excluding minor deviations, UPGMA and dissimilarity analysis showed close association of genotypes according to their geographical locations. Catechin (CAT), epicatechin (EPI) and gallic acid (GA) were quantified from bark and leaf samples of corresponding genotypes collected from 106 accessions. ROC plots depicted the sensitivity and specificity of the concentrations of tested phytocompounds at various cut-off points. Although, multiple logistic regression analysis predicted some association between few loci with GA, EPI and CAT, but PCA for phytochemical data failed to distinguish the populations. Overall, there were no significant trends observed to distinguish the populations based on these phytocompounds. Furthermore, the study advocates the delineate provenance regions of S. asoca genotypes/chemotype snapshots for in-situ conservation and ex-situ cultivation.}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2018.08.016}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Saini, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @article {45446, title = { Glycolysis is important for optimal asexual growth and formation of mature tissue cysts by Toxoplasma gondii}, journal = {International Journal for Parasitology }, volume = {48}, year = {2018}, month = {OCT}, pages = {955-968}, type = {Article}, abstract = {Toxoplasma gondii can grow and replicate using either glucose or glutamine as the major carbon source. Here, we have studied the essentiality of glycolysis in the tachyzoite and bradyzoite stages of T. gondii, using transgenic parasites that lack a functional hexokinase gene (Delta hk) in RH (Type-1) and Prugniaud (Type-II) strain parasites. Tachyzoite stage 411k parasites exhibit a fitness defect similar to that reported previously for the major glucose transporter mutant, and remain virulent in mice. However, although Prugniaud strain Delta hk tachyzoites were capable of transforming into bradyzoites in vitro, they were severely compromised in their ability to make mature bradyzoite cysts in the brain tissue of mice. Isotopic labelling studies reveal that glucose-deprived tacyzoites utilise glutamine to replenish glycolytic and pentose phosphate pathway intermediates via gluconeogenesis. Interestingly, while glutaminedeprived intracellular Delta hk tachyzoites continued to replicate, extracellular parasites were unable to efficiently invade host cells. Further, studies on mutant tachyzoites lacking a functional phosphoenolpyruvate carboxykinase (Delta pepck1) revealed that glutaminolysis is the sole source of gluconeogenic flux in glucose-deprived parasites. In addition, glutaminolysis is essential for sustaining oxidative phosphorylation in zihk parasites, while wild type (wt) and Delta pepck1 parasites can obtain ATP from either glycolysis or oxidative phosphorylation. This study provides insights into the role of nutrient metabolism during asexual propagation and development of T. gondii, and validates the versatile nature of central carbon and energy metabolism in this parasite. (C) 2018 Australian Society for Parasitology. Published by Elsevier Ltd. All rights reserved.}, issn = { 0020-7519}, doi = {10.1016/j.ijpara.2018.05.013}, author = {Shukla, Anurag and Olszewski, Kellen L. and Llinas, Manuel and Rommereim, Leah M. and Fox, Barbara A. and Bzik, David J. and Xia, Dong and Wastling, Jonathan and Beiting, Daniel and Roos, David S. and Shanmugam, Dhanasekaran} } @article {44655, title = {Highly diverged novel subunit composition of apicomplexan F-type ATP synthase identified from Toxoplasma gondii}, journal = {Plos Biology}, volume = {16}, year = {2018}, month = {JUL}, pages = {e2006128}, type = {Article}, abstract = {

The mitochondrial F-type ATP synthase, a multisubunit nanomotor, is critical for maintaining cellular ATP levels. In T. gondii and other apicomplexan parasites, many subunit components necessary for proper assembly and functioning of this enzyme appear to be missing. Here, we report the identification of 20 novel subunits of T. gondii F-type ATP synthase from mass spectrometry analysis of partially purified monomeric (approximately 600 kDa) and dimeric (\> 1 MDa) forms of the enzyme. Despite extreme sequence diversification, key F-O subunits a, b, and d can be identified from conserved structural features. Orthologs for these proteins are restricted to apicomplexan, chromerid, and dinoflagellate species. Interestingly, their absence in ciliates indicates a major diversion, with respect to subunit composition of this enzyme, within the alveolate clade. Discovery of these highly diversified novel components of the apicomplexan F-type ATP synthase complex could facilitate the development of novel antiparasitic agents. Structural and functional characterization of this unusual enzyme complex will advance our fundamental understanding of energy metabolism in apicomplexan species.

}, issn = {1545-7885}, doi = {10.1371/journal.pbio.2006128}, author = {Salunke, Rahul and Mourier, Tobias and Banerjee, Manidipa and Pain, Arnab and Shanmugam, Dhanasekaran} } @article {45517, title = {Highly efficient field emission properties of radially aligned carbon nanotubes}, journal = {Journal of Materials Chemistry C}, volume = {6}, year = {2018}, month = {MAY}, pages = {6584-6590}, type = {Article}, abstract = {Here, we report extraordinary field emission properties from one pot synthesized aligned carbon nanotubes endowed with related Fe nanoparticles (NPs). The CNT configuration is in the form of a carbon hollow cylinder (CHC) with CNTs radially aligned towards the CHC axis. The structure generates electron field emission properties such as an ultralow turn on field (0.35 V μm-1 at 10 μA cm-2), a low threshold field (0.41 V μm-1 at 100 μA cm-2) and a high field emission current density (7.71 mA cm-2 at 0.78 V μm-1). It also exhibits multi-fold improvement in the field enhancement factor (1.34 {\texttimes} 104) with highly stable current emission at 100 μA measured for 14 h. No post synthesis treatment is required for enhanced field emission characteristics. The growth related Fe NPs assist in lowering the work function and hence enhancing the field emission properties. The possibility of assembling nano-structured field emitters into macroscale architectures suggests new prospects for next generation three dimensional electron sources.}, doi = {10.1039/c8tc00814k}, author = {Tripathi, P. and Gupta, B.K. and Bhatnagar, A and Patel, C.R.P and Banker, P.K. and Late, D.J. and More, M.A. and Lalla, N.P. and Phase, D.M., and Choudhary, R.J. and Shaz, M.A. and Ajayan, P.M. and Srivastava, O.N.} } @article {45548, title = {Highly reactive crystalline-phase-embedded strontium-bioactive nanorods for multimodal bioactive applications}, journal = {Biomaterials Science}, volume = {6}, year = {2018}, month = {JUL}, pages = {1764-1776}, type = {Article}, abstract = {In the present work, a crystallization-induced strontium-bioactive material, with a composition similar to Bioglass 45S5 system, was obtained using a sol-gel-assisted microwave method with nanorod morphologies of 30-80 nm in size. The effect of crystallization induced in the glass network, and its influence on the bioactivity and mechanical properties of bone and dentin regeneration, were the main novel findings of this work. Rietveld analysis of X-ray diffraction spectra showed the best fit with sodium (combeite, Na2Ca2Si3O9) and calcium (clinophosinaite, Ca2Na6O14P2Si2; calcium strontium silicate, Ca1.5O4SiSr0.5; and calcium carbonate, CaCO3) enriched crystal systems. Multinuclear solid-state NMR studies provided detailed atomistic insight into the presence of crystalline mineral phases in the bioactive material. The dentin matrix and antibacterial studies showed good results for 5\% strontium-substituted calcium compared with basic 45S5 composition due to its smaller particle size (30 nm), which suggested applications to dentin regeneration. Simulation studies have been demonstrated with clinophosinaite crystal data from the XRD spectra, with the glycoprotein salivary metabolites also showing that 5\% strontium-substituted calcium has a higher binding affinity for the salivary compound, which is suitable for dentin regeneration applications. In vitro apatite formation studies showed that this material is suitable for bone regeneration applications.}, issn = {20474830}, doi = {10.1039/c8bm00362a}, author = {Durgalakshmi, D. and Ajay Rakkesh, R. and Kesavan, M. and Ganapathy, S. and Ajithkumar, T.G. and Karthikeyan, S. and Balakumar, S.} } @article {44496, title = {Highly selective aqueous phase hydrogenation of phenols over nanostructured RuO2 on MCM-41 catalysts}, journal = {Nano-Structures \& Nano-Objects }, volume = {13}, year = {2018}, month = {FEB}, pages = {36-43}, abstract = {Selective aqueous phase hydrogenation of phenol as well as its derivatives is important for the synthesis of chemical intermediates which are crucial for the manufacture of high-tonnage commodities and a multitude of value added platform chemicals. Herein, we report a facile catalyst made of highly dispersed small RuO2 nanoparticles supported on mesoporous MCM-41 using one-pot approach. The optimal 5RuO2-MCM-41 catalyst with particle size 6-8 nm showed excellent activity and selectivity in aqueous phase hydrogenation of phenol and other functionalized substrates, which are building blocks of lignin, to corresponding cyclohexanol products without any additives. These catalysts showed better stability and can be reused several times without any significant drop in activity which proves the heterogeneity of the immobilized oxide catalyst.}, doi = {10.1016/j.nanoso.2017.11.004}, author = {Betsy, K. J. and Lazar, Anish and Vinod, C. P.} } @article {45404, title = { HPW anchored Meso-HZ-5, a novel catalyst for selective synthesis of ethyl levulinate biofuel by alcoholysis of biomass-derived furfuryl alcohol}, journal = {Environmental Progress \& Sustainable Energy}, volume = {37}, year = {2018}, month = {SEP}, pages = {1736-1742}, type = {Article}, abstract = {Ethanolysis of biomass derived furfuryl alcohol (FA) produces ethyl levulinate (EL), a biofuel additive and precursor for -valerolactone synthesis. The present study is devoted to develop an efficient and an environmentally benign catalytic system for one-pot conversion of FA to EL biofuel, by revealing an insight of the catalytic mechanism. The catalytic activity of H-ZSM-5, Meso-HZ-5 (desilicated H-ZSM-5) and different percentage H3PW12O40(HPW) anchored to Meso-HZ-5 catalysts have been evaluated for the FA ethanolysis. As per our knowledge, this is the first research reporting the application of HPW anchored to Meso-HZ-5 catalysts for the conversion of FA into EL in biomass utilization. These catalysts were synthesized and characterized by Powder X-ray diffraction (XRD), N-2 physisorption and temperature programmed NH3 desorption (TPAD). Products of FA ethanolysis viz., 4,5,5-triethoxypentan-2-one (TEP), ethoxy-methyl- furan (EMF), diethyl ether (DEE), EL were identified by Gas Chromatography-Mass Spectroscopy (GC-MS) and quantified by flame ionization detector (GC-FID). The physicochemical properties of catalysts were found to correlate to the product distribution matrix. Moreover, influences of several process parameters such as catalyst amount, reactant molar ratio, temperature and time on the extent of FA ethanolysis were systematically investigated. Under optimized conditions, 15\% (w/w) HPW/Meso-HZ-5 exhibited a remarkable catalytic performance with complete FA conversion (100\%) along with 97\% yield of EL, these activity values are superior than the previously reported studies. The present study provides an insight of the catalytic mechanism along with a potential environmental benign and the economic catalyst for the efficient synthesis of EL biofuel from the biomass-derived FA}, doi = { 10.1002/ep.12822}, author = {Nandiwale, Kakasaheb Y. and Pande, Ashwini M. and Bokade, Vijay V.} } @article {45534, title = {HPW anchored Meso-HZ-5, a novel catalyst for selective synthesis of ethyl levulinate biofuel by alcoholysis of biomass-derived furfuryl alcohol}, journal = {Environmental progress and sustainable energy}, volume = {37}, year = {2018}, month = {NOV}, pages = {1736-1742}, type = {Article}, abstract = {thanolysis of biomass derived furfuryl alcohol (FA) produces ethyl levulinate (EL), a biofuel additive and precursor for γ-valerolactone synthesis. The present study is devoted to develop an efficient and an environmentally benign catalytic system for one-pot conversion of FA to EL biofuel, by revealing an insight of the catalytic mechanism. The catalytic activity of H-ZSM-5, Meso-HZ-5 (desilicated H-ZSM-5) and different percentage H3PW12O40(HPW) anchored to Meso-HZ-5 catalysts have been evaluated for the FA ethanolysis. As per our knowledge, this is the first research reporting the application of HPW anchored to Meso-HZ-5 catalysts for the conversion of FA into EL in biomass utilization. These catalysts were synthesized and characterized by Powder X-ray diffraction (XRD), N2 physisorption and temperature programmed NH3 desorption (TPAD). Products of FA ethanolysis viz., 4,5,5-triethoxypentan-2-one (TEP), ethoxy-methyl- furan (EMF), diethyl ether (DEE), EL were identified by Gas Chromatography-Mass Spectroscopy (GC-MS) and quantified by flame ionization detector (GC-FID). The physicochemical properties of catalysts were found to correlate to the product distribution matrix. Moreover, influences of several process parameters such as catalyst amount, reactant molar ratio, temperature and time on the extent of FA ethanolysis were systematically investigated. Under optimized conditions, 15\% (w/w) HPW/Meso-HZ-5 exhibited a remarkable catalytic performance with complete FA conversion (100\%) along with 97\% yield of EL, these activity values are superior than the previously reported studies. The present study provides an insight of the catalytic mechanism along with a potential environmental benign and the economic catalyst for the efficient synthesis of EL biofuel from the biomass-derived FA.}, issn = {1944-7450}, doi = {10.1002/ep.12822}, author = {Nandiwale, Kakasaheb Y. and Pande, Ashwini M. and Bokade, Vijay V.} } @article {44213, title = {HxZr3-xPW12O40 as an insoluble and reusable heteropolyacid for highly selective dehydration of fructose to 5-hydroxymethyl fufural in DMSO system}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {JAN}, pages = {832-836}, type = {Article}, abstract = {Dehydration of fructose is a way to produce an important platform chemical such as 5-hydroxymethylfurfural (HMF) which is widely used to synthesize variety of renewable chemicals and fuel. Heteropoly acid, H3PW12O40 is highly soluble strong acidic catalyst with well-defined structure. This study reports the modification of soluble heteropoly acid to insoluble and reusable heteropolyacid (HxZr3-xPW12O40 ) by exchanging with Zr and investigation of its catalytic performance in selective transformation of renewable fructose to 5-HMF in Dimethyl sulfoxide (DMSO) system. The physico-chemical properties of H(x)Zr(3-x)PW(12)O(40)were derived from Powder-XRD, NH3-TPAD and FT-IR technique. The characterization of HxZr3-xPW12O40 revealed that the Keggin structure of HPA remained intact as proton replaced by Zr. The partial exchange of Zr in H2Zr1PW12O40 catalyst resulted in an increase in acidity, however further increase of Zr above 1, acidity was found to be decreased. At optimized reaction condition, 5-HMF yield of 85\% with 100\% selectivity was achieved with H1Zr2 PW12O40 catalyst at much lower reaction time of 10 min than reported. The catalyst was observed to be recoverable, reusable as compared to parent H3PW12O40.}, doi = {10.1002/slct.201702669}, author = {Mulik, Nagesh L. and Niphadkar, Prashant S. and Pandhare, Kiran V. and Bokade, Vijay V.} } @article {44356, title = {Hydrothermal synthesis of rGO-PbBi2Se4 composite and investigation of its structural, chemical and field emission properties}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {29}, year = {2018}, month = {JUN}, pages = {10494-10503}, type = {Article}, abstract = {In the present study we report the one step facile synthesis of pristine lead bismuth selenide (PbBi2Se4) and reduced graphene oxide (rGO) and its composites with PbBi2Se4. Formation of pristine PbBi2Se4 and rGO-PbBi2Se4 composite were confirmed by X-ray diffraction and X-ray photoelectron spectroscopy. The surface morphology and topography investigated by using scanning electron microscopy and transmission electron microscopy revealed the formation of nano-flowers pristine PbBi2Se4. After coupling pristine PbBi2Se4 with rGO the surface morphology shows the formation of sharp vertically protruded nano-sheets/nano-flaks originated from the nano-flowers. Finally, the field emission properties of pristine PbBi2Se4 and rGO-PbBi2Se4 composite have been investigated. It has been observed that the rGO-PbBi2Se4 composite emitter exhibited excellent field emission properties with low turn-on field (similar to 2.8 V/A mu m for 10 A mu A/cm(2)), high emission current density (similar to 1288 A mu A/cm(2) at 3.9 V/A mu m) and superior current stability (similar to 4.5 h for similar to 1 A mu A) compare to pristine PbBi2Se4 emitter. Thus, the facile one step synthesis approach and robust nature of rGO-PbBi2Se4 composite emitter can provide prospects for the future development of large-area emitter applications such as flat-panel-display and vacuum micro/nanoelectronics devices.}, doi = {10.1007/s10854-018-9114-0}, author = {Aher, Rahul and Bhorde, Ajinkya and Sharma, Priyanka and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Rondiya, Sachin and Chaudhary, Minakshi and Gopinath, Chinnakonda and Suryawanshi, Sachin and More, Mahendra and Jadkar, Sandesh} } @article {44209, title = {Hydroxyl directed C-arylation: synthesis of 3-hydroxyflavones and 2-phenyl-3-hydroxy pyran-4-ones under transition-metal free conditions}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JAN}, pages = {444-451}, type = {Article}, abstract = {

An efficient, transition-metal free and direct C-arylation of 3-hydroxychromone moieties in the presence of a base, air as an oxidant and arylhydrazines as arylating agents to furnish highly biologically active flavonols or 3-hydroxyflavones has been developed. We have further extended our methodology for the C-arylation of the 5-hydroxy pyran-4-one moiety. The role of the free hydroxyl group towards C-arylation has been delineated.

}, issn = {1477-0520}, doi = {10.1039/c7ob01929g}, author = {Paula, Sayantan and Bhattacharya, Asish K.} } @article {44497, title = {Identification of potent chromone embedded [1,2,3]-triazoles as novel anti-tubercular agents}, journal = {Royal Society Open Science}, volume = {5}, year = {2018}, month = {APR}, pages = {Article Number: 171750}, abstract = {A series of 20 novel chromone embedded [1,2,3]-triazoles derivatives were synthesized via an easy and convenient synthetic procedure starting from 2-hydroxy acetophenone. The in vitro anti-mycobacterial evaluation studies carried out in this work reveal that seven compounds exhibit significant inhibition against Mycobacterium tuberculosis H37Rv strain with MIC in the range of 1.56-12.5 mu g ml(-1). Noticeably, compound 6s was the most potent compound in vitro with a MIC value of 1.56 mu g ml(-1). Molecular docking and chemoinformatics studies revealed that compound 6s displayed drug-like properties against the enoyl-acyl carrier protein reductase of M. tuberculosis further establishing its potential as a potent inhibitor.}, doi = {10.1098/rsos.171750}, author = {Nalla, Viswanadh and Shaikh, Aslam and Bapat, Sanket and Vyas, Renu and Karthikeyan, M. and Yogeeswari, P. and Sriram, D. and Muthukrishnan, M.} } @article {44184, title = {Imido-P(V) trianion supported enantiopure neutral tetrahedral Pd(II) cages}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1873-1876}, type = {Article}, abstract = {

Charge-neutral chiral hosts are attractive due to their ability to recognize a wide range of guest functionalities and support enantio-selective processes. However, reports on such charge-neutral cages are very scarce in the literature. Here, we report an enantiomeric pair of tetrahedral Pd(II) cages built from chiral tris(imido) phosphate trianions and oxalate linkers, which exhibit enantioselective separation capabilities for epichlorohydrin, beta-butyrolactone, and 3-methyl- and 3-ethyl cyclopentanone.

}, issn = {1359-7345}, doi = {10.1039/c8cc00207j}, author = {Rajasekar, Prabhakaran and Pandey, Swechchha and Paithankar, Harshad and Chugh, Jeetender and Steiner, Alexander and Boomishankar, Ramamoorthy} } @conference {44598, title = {Impact of stereochemistry on sharing chemical structures}, booktitle = {255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water}, year = {2018}, month = {MAR}, publisher = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {New Orleans, LA}, author = {Banik, Gregory and Karthikeyan, Muthukumarasamy and Nedwed, Karl and Kunitsky, Keith and D{\textquoteright}Souza, Michelle and Abshear, Ty} } @article {45590, title = {Impairing powerhouse in colon cancer cells by hydrazide{\textendash}hydrazone-based small molecule}, journal = {ACS omega }, volume = {3}, year = {2018}, month = {FEB }, pages = {1470{\textendash}1481}, type = {Article }, abstract = {Mitochondrion has emerged as one of the unconventional targets in next-generation cancer therapy. Hence, small molecules targeting mitochondria in cancer cells have immense potential in the next-generation anticancer therapeutics. In this report, we have synthesized a library of hydrazide{\textendash}hydrazone-based small molecules and identified a novel compound that induces mitochondrial outer membrane permeabilization by inhibiting antiapoptotic B-cell CLL/lymphoma 2 (Bcl-2) family proteins followed by sequestration of proapoptotic cytochrome c. The new small molecule triggered programmed cell death (early and late apoptosis) through cell cycle arrest in the G2/M phase and caspase-9/3 cleavage in HCT-116 colon cancer cells, confirmed by an array of fluorescence confocal microscopy, cell sorting, and immunoblotting analysis. Furthermore, cell viability studies have verified that the small molecule rendered toxicity to a panel of colon cancer cells (HCT-116, DLD-1, and SW-620), keeping healthy L929 fibroblast cells unharmed. The novel small molecule has the potential to form a new understudied class of mitochondria targeting anticancer agent.}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01512}, author = {Patil, S. and Kuman, M. M. and Palvai, S. and Sengupta, P. and Basu, S.} } @article {44501, title = {Improved stability of tuberculosis drug fixed-dose combination using isoniazid-caffeic acid and vanillic acid cocrystal}, journal = {Journal of Pharmaceutical Sciences}, volume = {107}, year = {2018}, month = {JUN}, pages = {1667-1679}, abstract = {The classic fixed-dose combination (FDC) of 4 tuberculosis drugs, namely rifampicin (RIF), isoniazid (INH), pyrazinamide (PZA), and ethambutol dihydrochloride (EDH) has the twin issues of physical stability and RIF cross-reaction in the 4-FDC. The major reason for these quality issues is the interaction between RIF and INH to yield isonicotinyl hydrazone in drug tablets. Pharmaceutical cocrystals of INH with caffeic acid (CFA) (PZA + EDH + RIF + INH-CFA cocrystal) and vanillic acid (VLA) (PZA + EDH + RIF + INH-VLA cocrystal) are able to stabilize the FDC formulation compared with the reference batch (PZA + EDH + RIF + INH). Stability studies under accelerated humidity and temperature stress conditions of 40{\textdegree}C and 75\% relative humidity showed that the physical stability of the cocrystal formulation was superior by powder X-ray diffraction and scanning electron microscopy analysis, and chemical purity was analyzed by high-performance liquid chromatography. Changes in the composition and structure were monitored on samples drawn at 7, 15, 22, and 30 days of storage. FDC-INH-CFA cocrystal batch exhibited greater stability compared with FDC-INH-VLA cocrystal and FDC reference drug batches. The superior stability of INH-CFA cocrystal is attributed to the presence of stronger hydrogen bonds and cyclic O-H...O synthon in the crystal structure.}, doi = {10.1016/j.xphs.2018.02.014}, author = {Battini, Swapna and Mannava, M. K. Chaitanya and Nangia, Ashwini Kumar} } @article {44234, title = {In situ synthesis of nitrogen- and sulfur-enriched hierarchical porous carbon for high-performance supercapacitor}, journal = {Energy \& Fuels}, volume = {32}, year = {2018}, month = {JAN}, pages = {908-915}, type = {Article}, abstract = {

In this work, we present a simple and facile method for the nitrogen (N)- and sulfur (S)- doped porous three-dimensional (3D) spongelike carbon materials via direct pyrolysis of N and S containing polymer N,N{\textquoteright}-methylene-bis-acrylamide cross-linked poly(acrylamide-co-2-acrylamido-2-methyl-1-propanesulfonic acid) at varying temperatures under inert atmosphere. The obtained nitrogen- and sulfur-doped porous carbons (NSPCs) possess 3D hierarchical porous structure and contain a significantly high amount of N and S species. The concurrent incorporation of N and S successfully modified the surface properties of carbon materials and lead to enhanced capacitive performance. The presented NSPC exhibits specific capacitance of 230 F g(-1) at a current density of 1 A g(-1) and showed excellent cycling stability, depicting a promising material for energy storage devices.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.7b02305}, author = {Mehare, Rupali S. and Ranganath, Suresha P. and Chaturvedi, Vikash and Badiger, Manohar. V. and Shelke, Manjusha V.} } @article {44503, title = { In vitro propagation of Digitalis lanata Ehrh. through direct shoot regeneration - A source of cardiotonic glycosides}, journal = {Industrial Crops and Products}, volume = {121}, year = {2018}, month = {OCT}, pages = {313-319}, type = {Article}, abstract = {

An efficient method for the in vitro propagation of Digitalis lanata Ehrh. through direct organogenesis from leaf and petiole explants has been standardised. MS basal medium supplemented with cytokinins BAP, KIN, TDZ either alone or along with auxins IAA and NAA at different concentrations were tried. TDZ at 4.54 and 6.81 μmol/l were optimum for direct regeneration of shoots from leaf (4.4 {\textpm} 0.6 shoots/explant), and petiole (3.0 {\textpm} 0.8 shoots/explant) explants respectively. Among the various concentrations of auxins IAA, IBA and NAA tried for rooting, the best response occurred on MS basal medium supplemented with 17.13 μmol/l IAA. On greenhouse transfer about 60\% of the plantlets survived. In vitro raised plantlets were morphologically similar to mother plants. Cardiotonic glycosides digoxin and digitoxin were extracted by modified methods and estimated by HPLC. There were no significant differences in digoxin and digitoxin content in leaves of naturally grown and in vitro raised plants. The method for in vitro propagation of D. lanata through direct organogenesis from leaf and petiole explants reported here will be of great use for the rapid and large scale clonal propagation, production of biomass for extraction of cardiotonic glycosides, ex situ conservation, and improvement through conventional plant breeding and transgenic methods.

}, issn = { 0926-6690}, doi = {10.1016/j.indcrop.2018.05.019}, author = {Bhushan Bhusare and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {45372, title = {Indenoquinaldine-based unsymmetrical squaraine dyes for near-infrared absorption: investigating the steric and electronic effects in dye-sensitized solar cells}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {NOV}, pages = {16368-16378}, type = {Article}, abstract = {A series of near-infrared (NIR)-responsive unsymmetrical squaraine dyes (ISQ1-3) incorporating a fused indenoquinaldine-based donor have been designed and synthesized. C-12 alkyl chains were incorporated at the sp(3)-hybridized carbon center of the indene unit of the indenoquinaldine in an out-of-plane orientation to control dye aggregation on the surface of titanium dioxide, and indole (ISQ1), benzo[e]indole (ISQ2), and quinoline (ISQ3) moieties were included as the donor component bearing the anchoring carboxy group to extend the absorption in the NIR region and to systematically study the effect of the electronic modification on the performance of dye-sensitized solar cells (DSSC). All the dyes exhibit intense absorption (epsilon >= 10(5) m(-1) cm(-1)) in the NIR region, and the dye-adsorbed TiO2 films exhibit broad panchromatic absorption. The incident photon-to-current efficiency (IPCE) spectrum of the ISQ3-based DSSC device displays a panchromatic IPCE response up to 880 nm. Additionally, the ISQ3-sensitized device provides the best efficiency of 4.15\% with a short circuit current density (J(SC)) of 10.02 mA cm(-2), open-circuit voltage (V-OC) of 0.58V, and fill factor (ff) of 72\% in the presence of 10 equivalents of 3 alpha,7 alpha-dihydroxy-5 beta-cholanic acid (CDCA). Electrochemical impedance spectroscopy analysis showed attenuated charge recombination in the ISQ3-sensitized DSSC, which contributes to its higher value of V-OC compared with the other dyes.}, issn = { 0947-6539}, doi = {10.1002/chem.201803062}, author = {Bisht, Rajesh and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {45413, title = { Integrated constraints based analysis of an engineered violacein pathway in escherichia coli}, journal = {Biosystems }, volume = {171}, year = {2018}, month = {SEP}, pages = {10-19}, type = {Article}, abstract = {Strategies towards optimal violacein biosynthesis, a potential drug molecule, need systems level coordination of enzymatic activities of individual genes in a multigene operon vioABCDE. Constraints-based flux balance analysis of an extended iAF1260 model (iAF1260vio) with a reconstructed violacein module predicted growth and violacein yields in Escherichia coli accurately. Shadow price (SP) analysis identified tryptophan metabolism and NADPH as limiting. Increased tryptophan levels in Delta pgi \& Delta pheA were validated using in silico gene deletion analysis. Phenotypic phase plane (PhPP) analysis highlighted sensitivity between tryptophan and NADPH for violacein synthesis at molar growth yields. A synthetic VioABCDE operon (SYNO) sequence was designed to maximize Codon Adaptive Index (CAI: 0.9) and tune translation initiation rates (TIR: 2-50 fold higher) in E. coli. All pSYN E. coli transformants produced higher violacein, with a maximum six-fold increase in yields. The rational design E. coli: Delta pheA SYN: gave the highest violacein titers (33.8 mg/I). Such integrated approaches targeting multiple molecular hierarchies in the cell can be extended further to increase violacein yields.}, doi = {10.1016/j.biosystems.2018.06.002}, author = {Immanuel, Selva Rupa Christinal and Banerjee, Deepanwita and Rajankar, Mayooreshwar P. and Raghunathan, Anu} } @article {44510, title = {Integrative approaches to understand the Mastery in manipulation of host cytokine networks by protozoan parasites with emphasis on Plasmodium and Leishmania species}, journal = {Frontiers in Immunology}, volume = {9}, year = {2018}, month = {FEB}, pages = {Article Number: 296}, abstract = {cDiseases by protozoan pathogens pose a significant public health concern, particularly in tropical and subtropical countries, where these are responsible for significant morbidity and mortality. Protozoan pathogens tend to establish chronic infections underscoring their competence at subversion of host immune processes, an important component of disease pathogenesis and of their virulence. Modulation of cytokine and chemokine levels, their crosstalks and downstream signaling pathways, and thereby influencing recruitment and activation of immune cells is crucial to immune evasion and subversion. Many protozoans are now known to secrete effector molecules that actively modulate host immune transcriptome and bring about alterations in host epigenome to alter cytokine levels and signaling. The complexity of multi-dimensional events during interaction of hosts and protozoan parasites ranges from microscopic molecular levels to macroscopic ecological and epidemiological levels that includes disrupting metabolic pathways, cell cycle (Toxoplasma and Theileria sp.), respiratory burst, and antigen presentation (Leishmania spp.) to manipulation of signaling hubs. This requires an integrative systems biology approach to combine the knowledge from all these levels to identify the complex mechanisms of protozoan evolution via immune escape during host-parasite coevolution. Considering the diversity of protozoan parasites, in this review, we have focused on Leishmania and Plasmodium infections. Along with the biological understanding, we further elucidate the current efforts in generating, integrating, and modeling of multi-dimensional data to explain the modulation of cytokine networks by these two protozoan parasites to achieve their persistence in host via immune escape during host-parasite coevolution.}, doi = {10.3389/fimmu.2018.00296}, author = {Mahanta, Anusree and Ganguli, Piyali and Barah, Pankaj and Sarkar, Ram Rup and Sarmah, Neelanjana and Phukan, Saurav and Bora, Mayuri and Baruah, Shashi} } @article {45363, title = {Interconverting hydrogen-bonding and weak n -> pi* interactions in aqueous solution: A direct spectroscopic evidence}, journal = {Journal of Physical Chemistry Letters}, volume = {9}, year = {2018}, month = {SEP}, pages = {5425-5429}, type = {Article}, abstract = {

Molecular structure and function depend on myriad noncovalent interactions. However, the weak and transient nature of noncovalent interactions in solution makes them challenging to study. Information on weak interactions is typically derived from theory and indirect structural data. Solvent fluctuations, not revealed by structure analysis, further complicate the study of these interactions. Using 2D infrared spectroscopy, we show that the strong hydrogen bond and the weak n -\> pi* interaction coexist and interconvert in aqueous solution. We found that the kinetics of these interconverting interactions becomes faster with increasing water content. This experimental observation provides a new perspective on the existence of weak noncovalent interactions in aqueous solution.

}, author = {Deb, Pranab and Jin, Geun Young and Singh, Santosh K. and Moon, Juran and Kwon, Hyejin and Das, Aloke and Bagchi, Sayan and Kim, Yung Sam} } @article {45391, title = {Interlayer hydrogen-bonded covalent organic frameworks as high-performance supercapacitors}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {SEP}, pages = { 10941-10945}, type = {Article}, abstract = {Covalent organic frameworks (COFs) have emerged as promising electrode materials in supercapacitors (SCs). However, their insoluble powder-like nature, poor capacitive performance in pristine form, integrated with inferior electrochemical stability is a primary concern for their long-term use in electrochemical devices. Keeping this in perspective, herein we report a redox active and hydrogen bonded COF with ultrahigh stability in conc. H2SO4 (18 M), conc. HCl (12 M) and NaOH (9 M). The as-synthesized COF fabricated as thin sheets were efficiently employed as a free-standing supercapacitor electrode material using 3 M aq. H2SO4 as an electrolyte. Moreover, the pristine COF sheet showcased outstanding areal capacitance 1600 mF cm(-2) (gravimetric 169 F g(-1)) and excellent cyclic stability (>100 000) without compromising its capacitive performance or Coulombic efficiency. Moreover, as a proof-of-concept, a solid-state supercapacitor device was also assembled and subsequently tested.}, doi = {10.1021/jacs.8b06460}, author = {Halder, Arjun and Ghosh, Meena and Khayum, Abdul M. and Bera, Saibal and Addicoat, Matthew and Sasmal, Himadri Sekhar and Karak, Suvendu and Kurungot, Sreekumar and Banerjee, Rahul} } @article {45560, title = {Investigating adsorptive deep desulfurization of fuels using metal-modified adsorbents and process intensification by acoustic cavitation}, journal = {Industrial and Engineering Chemistry Research}, volume = {58}, year = {2018}, month = {MAY}, pages = {7593-7606}, type = {Article}, abstract = {

The harmful impact on the environment due to SOx emissions from fuels and increasingly strict norms over the years have amplified deep-desulfurization challenges, consequently enhancing attractiveness of adsorptive separations. The present work focuses on investigating metal modifications and process intensification using acoustic cavitation for improving sulfur removal behavior and selectivity. The proof of concept was elucidated using two model adsorbents: one commercial Shirasagi TAC adsorbent and another newer adsorbent derived from Cassia fistula biomass. Single- and double-metal modifications were studied using zinc, cobalt, nickel, and copper. An attempt was made to further improve the sulfur removal using process intensification using acoustic cavitation coupled with adsorption. The removal of three refractory sulfur compounds (viz. thiophene, benzothiophene, and dibenzothiophene) was studied, and the performance was compared for both single- and double-metal modifications apart from process intensification. In the case of TAC, a high capacity for sulfur removal, up to 23 mg S/g, was obtained, especially for dibenzothiophene. Process intensification using cavitation coupled with adsorption further improved sulfur removal to the extent of 100\%, and for metal-modified TAC, a capacity increase up to 38 mg S/g for dibenzothiophene was obtained. The results indicate that the combined effect of metal modification and process intensification can substantially improve the sulfur-removal efficiency of carbon adsorbents.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.8b04043}, author = {Suryawanshi, N.B. and Bhandari, V.M. and Sorokhaibam, L.G. and Ranade, V.V.} } @article {44389, title = {Isobaric vapor-liquid equilibrium data for binary systems of anisole with methyl acetate, ethyl acetate, n-propyl acetate, and isopropyl acetate at 93.9 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {63}, year = {2018}, month = {MAY}, pages = {1761-1766}, abstract = {The present work reports experimental isobaric vapor-liquid equilibrium data at 93.9 kPa pressure using a dynamic recirculation still for four binary pairs of acetates with anisole. The suitability of the experimental data for modeling was established by performing the Herington area test, Van Ness test, and mean absolute deviation test. Binary interaction parameters necessary for process modeling were derived through the regression of the VLE data for Wilson, NRTL, and UNIQUAC activity coefficient models with a suitable objective function. VLE data in the form of T-x, y plots indicates no formation of azeotropes for all pairs.}, doi = {10.1021/acs.jced.8b00063}, author = {Bhoi, Bharat R. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {44201, title = {Kinetic promotion of methane hydrate formation by combining anionic and silicone surfactants: scalability promise of methane storage due to prevention of foam formation}, journal = {Journal of Chemical Thermodynamics}, volume = {117}, year = {2018}, month = {FEB}, pages = {248-255}, type = {Article}, abstract = {

Methane storage in its solid hydrate form has recently come up as a rather attractive and low risk option for large scale storage of the gas owing to its mild storage conditions, high gas retention capacity and benign (non-explosive) character. However, it has its fair share of limitations with the slow rate of hydrate formation being one of the most prominent. The addition of surfactants like Sodium dodecyl sulfate (SDS) to the hydrate forming system significantly speeds up the process of methane hydrate formation but the large amount of foam generated by these surfactants during the process of hydrate formation and dissociation stands as a major roadblock towards the scaling up of the technology. In the current work, a small amount of a silicon based surfactant has been proposed to be used as antifoam in conjunction with an anionic surfactant SDS to eliminate the foam generation while at the same time promote the kinetics of methane hydrate formation. The idea is simple, cost effective and can be a potential game-changer in the quest to develop a commercially scalable hydrate based methane storage technology. (C) 2017 Elsevier Ltd.

}, keywords = {Antifoam, Gas hydrate, kinetics, Methane storage, scale-up, Silicone surfactant}, issn = {0021-9614}, doi = {10.1016/j.jct.2017.09.029}, author = {Bhattacharjee, Gaurav and Barmecha, Vivek and Kushwaha, Omkar S. and Kumar, Rajnish} } @article {44372, title = {Kitchen grinder: a tool for the synthesis of metal-organic frameworks towards size selective dye adsorption}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {MAY}, pages = {2486-2490}, abstract = {In this report, we present a simple, swift mechanochemical synthesis of metal-organic frameworks (MOFs) using a kitchen grinder. By adopting this tool, we could synthesize ZIF-8, CuBTC, and MIL-100(Fe) in multi gram-scale and successfully employ MIL-100(Fe)-KG for the efficient (ca. 98\%) removal of an organic dye (methylene blue) from aqueous solution. In particular, we demonstrated the significance of pore aperture for effective dye adsorption by comparing the adsorption behaviours of ZIF-8-KG and MIL-100(Fe)-KG. We believe that this approach could be of economic interest towards the green synthesis of porous adsorbents for waste-water treatment.}, doi = {10.1039/c8ce00333e}, author = {Samal, Mahalaxmi and Panda, Jagannath and Biswal, Bishnu P. and Sahu, Rojalin} } @article {44377, title = {Knowledge, attitude and practice of antibiotic use and antimicrobial resistance: a study post the {\textquoteright}Red Line{\textquoteright} initiative}, journal = {Current Science}, volume = {114}, year = {2018}, month = {MAY}, pages = {1866-1877}, abstract = {Antimicrobial resistance (AMR) is propagated by irrational use of antibiotics by healthcare practitioners and the uninformed public. This study assessed a select cohort of 504 urban Indians for their knowledge, awareness and practice of antibiotic use and AMR. Forty seven per cent were unaware of the differences between over-the-counter drugs and antibiotics. One in four believes that dose-skipping does not contribute to AMR. One in ten tends to self-medicate. One in five bought medicines without prescription or started an antibiotic course by calling a doctor. Our results mandate educational campaigns, stewardship and surveillance at the national level for prudent antimicrobial use in the Indian community.}, doi = {10.18520/cs/v114/i09/1866-1877}, author = {Banerjee, Deepanwita and Raghunathan, Anu} } @article {45386, title = {The Leishmania donovani IMPACT-like protein possesses non-specific nuclease activity}, journal = {International Journal of Biological Macromolecules}, volume = {119}, year = {2018}, month = {NOV}, pages = {962-973}, type = {Article}, abstract = {IMPACT (Imprinted and Ancient)-like proteins are known to be regulators of GCN2 (General control non-derepressible 2) kinases involved in translation regulation. Here, we report on cloning and characterization of an IMPACT-like protein, LdIMPACT from Leishmania donovani which harbours two domains. {\textquoteright}RWD domain{\textquoteright} at the N-terminal end that mediates GCN2 regulation, while a conserved {\textquoteright}ancient domain{\textquoteright} lies at the C-terminal end whose function remains elusive. Interestingly, our observations indicated that LdIMPACT has a novel nonspecific nuclease activity. In silico analysis further revealed the resemblance of ancient domain of LdIMPACT to RNase PH domain (known to bind to nucleic acids). The recombinant LdIMPACT exhibited a Mg2+-dependent nuclease activity. Moreover, thermostability and pH stability assays of the protein suggest it to be a stress responsive protein. Circular dichroism studies elucidated the conformational transitions of the enzyme in response to various temperature and pH conditions which correlated well with the activity profiles. Thus, the current study highlights the structural and functional characteristics of LdIMPACT which interestingly also possesses a novel nuclease activity. With its physiological relevance unresolved, the multifaceted LdIMPACT might therefore lie in a hitherto unknown network, whose perturbation could be an attractive therapeutic approach for treating leishmaniasis. (C) 2018 Elsevier B.V. All rights reserved.}, issn = { 0141-8130}, doi = {10.1016/j.ijbiomac.2018.07.175}, author = {Rao, Shilpa J. and Shukla, Ekta and Bhatia, Varsha and Lohiya, Bharat and Gaikwad, Sushama M. and Kar, Anita and Pal, Jayanta K.} } @article {45360, title = {Machine learning prediction of interaction energies in rigid water clusters}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {SEP}, pages = {22987-22996}, type = {Article}, abstract = {Classical force fields form a computationally efficient avenue for calculating the energetics of large systems. However, due to the constraints of the underlying analytical form, it is sometimes not accurate enough. Quantum mechanical (QM) methods, although accurate, are computationally prohibitive for large systems. In order to circumvent the bottle-neck of interaction energy estimation of large systems, data driven approaches based on machine learning (ML) have been employed in recent years. In most of these studies, the method of choice is artificial neural networks (ANN). In this work, we have shown an alternative ML method, support vector regression (SVR), that provides comparable accuracy with better computational efficiency. We have further used many body expansion (MBE) along with SVR to predict interaction energies in water clusters (decamers). In the case of dimer and trimer interaction energies, the root mean square errors (RMSEs) of the SVR based scheme are 0.12 kcal mol(-1) and 0.34 kcal mol(-1), respectively. We show that the SVR and MBE based scheme has a RMSE of 2.78\% in the estimation of decamer interaction energy against the parent QM method in a computationally efficient way.}, doi = {10.1039/c8cp03138j}, author = {Bose, Samik and Dhawan, Diksha and Nandi, Sutanu and Sarkar, Ram Rup and Ghosh, Debashree} } @article {45476, title = {Manganese catalyzed N-alkylation of anilines with alcohols: ligand enabled selectivity}, journal = {Organic and biomolecular chemistry }, volume = {16}, year = {2018}, month = {NOV}, pages = {8175-8180}, type = {Article }, abstract = {Ligand enabled Earth-abundant manganese catalyzed N-alkylation of amines with alcohols via a hydrogen auto-transfer strategy is reported. The choice of the ligand plays a significant role in the alcohol reactivity (aliphatic or aromatic) toward N-alkylation reactions.}, issn = {1477-0520}, doi = {10.1039/c8ob01886c}, author = {Landge, Vinod G. and Mondal, Akash and Kumar, Vinit and Nandakumar, Avanashiappn and Balaraman, Ekambaram} } @article {44515, title = {Manganese-catalyzed direct conversion of ester to amide with liberation of H 2}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {JUN}, pages = {3381-3384}, type = {Article}, abstract = {

A simple and efficient Mn-catalyzed acylation of amines is achieved using both acyl and alkoxy functions of unactivated esters with the liberation of molecular hydrogen as a sole byproduct. The present protocol provides an atom-economical and sustainable route for the synthesis of amides from esters by employing an earth-abundant manganese salt and inexpensive phosphine-free tridentate ligand.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01305}, author = {Mondal, Akash and Subaramanian, Murugan and Avanashiappan, Nandakumar and Balaraman, Kambaram} } @article {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 {44520, title = {Mechano-responsive room temperature luminescence variations of boron conjugated pyrene in air}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUN}, pages = {6028-6031}, abstract = {

Stimuli responsive tunable luminescence is a promising field of research. Even though mechanofluorescence is widely studied, mechanophosphorescence remains unexplored. Here we report the mechano-driven fluorescence and phosphorescence variations of a pyrene tetraboronic ester derivative. The fluorochromic and room temperature phosphorescence features are supported by theoretical studies and single crystal analysis. The mechanically ground fluorescence active but phosphorescence inactive pyrene tetraboronic ester exhibits room temperature phosphorescence in air withmechanical force. The efficient intermolecular electronic coupling in the dimer formed upon scratching enables a good communication between singlet and triplet states, hence resulting in room temperature mechanophosphorescence.

}, issn = {1359-7345}, doi = {10.1039/c8cc03494j}, author = {Wakchaure, Vivek C. and Ranjeesh, Kayaramkodath C. and Goudappagouda and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh and Babu, Sukumaran S.} } @article {45572, title = {Metal-free hypervalent iodine/tempo mediated oxidation of amines and mechanistic insight into the reaction pathways}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {SEP}, pages = {32055-32062}, type = {Article}, abstract = {A highly efficient metal free approach for the oxidation of primary and secondary amines to their corresponding aldehydes and ketones using PhI(OAc)2 in combination with a catalytic amount of TEMPO as an oxidizing agent is described. This protocol is rapid and provides diverse products under milder reaction conditions in excellent yields. In addition, the mechanistic study is well demonstrated by spectroscopic methods.}, doi = {10.1039/c8ra07451h}, author = {Bansode, A.H. and Suryavanshi, G.} } @article {45364, title = {Metamagnetism in nanosheets of Co-II-MOF with T-N at 26 K and a giant hysteretic effect at 5 K}, journal = {Inorganic Chemistry }, volume = {57}, year = {2018}, month = {DEC}, pages = {15044-15047}, type = {Article}, abstract = {Herein, we have synthesized at room-temperature two-dimensional nanosheets of a MOF comprised of cobalt(II) ion with benzenedicarboxylic acid ligand, which exhibited unusual magnetic properties. Direct-current magnetic susceptibility revealed an anti-ferromagnetic (AFM) transition at 26 K (Neel temperature, T-N) followed by a canting of the spin moments along with the concomitant appearance of a sigmoidal-shaped magnetization versus field (M-H) curve at 15 K. Such a canted AFM ordering led to nonzero remnant magnetization with a remarkably high coercive field of similar to 10 kOe at 5 K. Metamagnetism was further: substantiated by the alternating-current magnetic susceptibility measurements.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b03064}, author = {Gupta, Kriti and Dadwal, Arun and Rana, Shammi and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {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 {44593, title = {Modulated photochemical reactivities of O-acetylated (3{\textquoteright}, 5{\textquoteright}-dimethoxyphenyl) heteroaryl acyloin derivatives under direct irradiation and photo-induced electron transfer conditions}, journal = {Photochemical \& Photobiological Sciences}, volume = {17}, year = {2018}, month = {JUN }, pages = {835-845}, abstract = {

3{\textquoteright}, 5{\textquoteright}-Dimethoxybenzoin esters are important photoremovable protecting groups which form 2-phenylbenzofuran derivatives upon photo-release. We utilized a similar concept to test a photochemical method of installing a benzofuran moiety to the conjugated backbone by subjecting O-acetylated (3{\textquoteright}, 5{\textquoteright}-dimethylphenyl) heteroaryl acyloin derivatives through direct photo irradiation and a photo-induced electron transfer reaction. These photochemical methods were explored for a variety of heteroaromatic substrates appended on the ketone part of the O-acetylated cross-acyloin derivatives. The furan, thiophene and bithiophene derivatives led to the expected cyclized (benzofuran capped) products but the derivatives with extended conjugation decomposed under direct irradiation. However, under irradiation in the presence of an electron donor such as triethylamine, the extended acyloin derivatives afforded both cyclized and deacetoxylated products. The semiconducting nature of the extended cyclized products was also explored and tested for solution-processed organic field effect transistors, providing a maximum hole mobility of 1.3 x 10(-6) cm(2) V-1 s(-1).

}, issn = {1474-905X}, doi = {10.1039/c8pp00082d}, author = {Bisht, Rajesh and Singh, Saumya and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {44532, title = {Multi-faceted role of melatonin in neuroprotection and amelioration of tau aggregates in alzheimer{\textquoteright}s disease}, journal = {Journal of Alzheimers Disease}, volume = {62}, year = {2018}, month = {MAY}, pages = {1481-1493}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is one of the major age related neurodegenerative diseases whose pathology arises due to the presence of two distinct protein aggregates, viz., amyloid-beta plaques in extracellular matrix and tau neurofibrillary tangles in neurons. Multiple factors play a role in AD pathology, which includes familial mutations, oxidative stress, and post-translational modifications. Melatonin is an endocrine hormone, secreted during darkness, derived from tryptophan, and produced mainly by the pineal gland. It is an amphipathic molecule, which makes it suitable to cross not only blood-brain barrier, but also to enter several other subcellular compartments like mitochondria and endoplasmic reticulum. In this context, the neuroprotective effect of melatonin may be attributed to its role as an antioxidant. Melatonin{\textquoteright}s pleiotropic function as an antioxidant and neuroprotective agent has been widely studied. However, its direct effect on the aggregation of tau and amyloid-beta needs to be explored. Furthermore, an important aspect of its function is its ability to regulate the process of phosphorylation of tau by affecting the function of kinases and phosphatases. In this review, we are focusing on the pleiotropic function of melatonin on the aspect of its neuroprotective function in tau pathology, which includes antioxidant function, regulation of enzymes, including kinases and enzymes involved in free radical scavenging and mitochondrial protection.

}, keywords = {Alzheimer{\textquoteright}s disease, hyperphosphorylation, melatonin, mitochondria, Protein aggregation, tau protein}, issn = {1387-2877}, doi = {10.3233/JAD-170900}, author = {Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {44534, title = {Multifunctional activated carbon with antimicrobial property derived from Delonix regia biomaterial for treatment of wastewater}, journal = {Journal of Environmental Chemical Engineering }, volume = {6}, year = {2018}, month = {FEB}, pages = {169-181}, abstract = {In this work, we report the development of a multifunctional high surface area activated carbon (DRP), from a biomaterial, Delonix regia, with antimicrobial potential and demonstrated its applicability towards removal of two reactive dyes, Reactive Red (RR-120) and Reactive Blue (RB-4) with an adsorption capacity of \~{}6.36 and 24 mg{\textperiodcentered}g-1 respectively. The newer multifunctional activated carbon was prepared from the deseeded pods of Delonix regia through thermo-chemical surface modification and characterized for surface and morphological characteristics, chemical composition, and thermal stability. DRP exhibited a high surface area of 1577 m2{\textperiodcentered}g-1 with various active functional groups. The decolourisation efficiency achieved was very high, \~{}98\% for both the dyes. The effects of various operating parameters like pH, initial dye concentration, adsorbent dosage, surfactant, salt etc. were investigated and the batch adsorption equilibrium data in each dye system was analyzed with various isotherms-Langmuir, Freundlich, and Tempkin. The kinetics of the adsorption process was best represented by pseudo-second order kinetic model and the adsorption efficiency was also illustrated in the binary system of varying dye compositions. DRP could successfully reduce the microbial growth of Gram positive B. subtilis with a higher zone of inhibition.}, doi = {10.1016/j.jece.2017.11.056}, author = {Louis, Mary R. and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Bundale, Sunita} } @article {44653, title = {Multistimuli-responsive interconvertible low-molecular weight metallohydrogels and the in situ entrapment of CdS quantum dots therein}, journal = {Chemistry of Materials}, volume = {30}, year = {2018}, month = {JUL}, pages = {4755-4761}, abstract = {

Two low molecular weight metallohydrogels (ZALA and CALA) have been synthesized from an amino-acid based ligand precursor (LA) and two different metal salts [zinc acetate dihydrate (ZA) and cadmium acetate dihydrate (CA), respectively. These two hydrogels show a unique chemically stimulated interconversion to each other via a reversible gel-sol gel pathway. This programmable gel-sol reversible system satisfies logic operations of a basic Boolean logic (INHIBIT) gate. Also, these hydrogels can be degraded into different MOF phases at room temperature spontaneously or in the presence of chloride and bromide salts (NaCl and NaBr.). CdS quantum dots can be grown inside the CALA gel matrix (CdS@CALA) in the presence of small amount of Na2S. This CdS doped gel exhibits time dependent tunable emission (white to yellow to orange) as a consequence of a slow agglomeration process of the entrapped quantum dots inside the gel matrix. This luminescence property also reflects the corresponding gel derived MOFs (obtained either by self-degradation of CdS@CALA or via anion induction) as well. This, to the best of our knowledge, is probably the simplest way to make a CdS quantum dot based composite material where CdS is entrapped within the gel and the gel-derived MOF matrix.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.8b01698}, author = {Bera, Saibal and Chakraborty, Amit and Karak, Suvendu and Halder, Arjun and Chatterjee, Soumyajyoti and Saha, Subhadeep and Banerjee, Rahul} } @article {44365, title = {New insights towards strikingly improved room temperature ethanol sensing properties of p-type Ce-doped SnO2 sensors}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {MAY}, pages = {Article Number: 8079}, type = {Article}, abstract = {In this article, room temperature ethanol sensing behavior of p-type Ce doped SnO2 nanostructures are investigated successfully. Interestingly, it is examined that the abnormal n to p-type transition behavior is caused by Ce doping in SnO2 lattice. In p-type Ce doped SnO2, Ce ion substituting the Sn is in favor of generating excess holes as oxygen vacancies, which is associated with the improved sensing performance. Although, p-type SnO2 is one of the important materials for practical applications, it is less studied as compared to n-type SnO2. Pure and Ce doped SnO2 nanostructures were successfully synthesized by chemical co-precipitation method. The structure, surface morphology, unpaired electrons (such as free radicals), and chemical composition of obtained nanoparticleswere studied by various kinds of characterization techniques. The 9\% Ce doped SnO2 sensors exhibit maximum sensor response of similar to 382 for 400 ppm of ethanol exposure with fast response time of similar to 5 to 25 sec respectively. Moreover, it is quite interesting that such enhancement of ethanol sensing is unveiled at room temperature, which plays a key role in the quest for better ethanol sensors. These remarkably improved sensing results are attributed to uniformly distributed nanoparticles, lattice strain, complex defect chemistry and presence of large number of unpaired electrons on the surface.}, doi = {10.1038/s41598-018-26504-3}, author = {Kumar, Manjeet and Bhatt, Vishwa and Abhyankar, A. C. and Kim, Joondong and Kumar, Akshay and Patil, Sagar H. and Yun, Ju-Hyung} } @article {44644, title = {N-Heterocyclic carbene-catalyzed enantioselective synthesis of spiro-glutarimides via alpha,beta-unsaturated acylazoliums}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {AUG}, pages = {4499-4503}, abstract = {

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

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

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

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

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

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01482}, author = {Gelat, Fabien and Patra, Atanu and Pannecoucke, Xavier and Biju, Akkattu T. and Poisson, Thomas and Besset, Tatiana} } @article {45471, title = { Ni-catalyzed alpha-alkylation of unactivated amides and esters with alcohols by hydrogen auto-transfer strategy }, journal = {CHEMSUSCHEM}, volume = {11}, year = {2018}, month = {NOV}, pages = {3911-3916}, type = {Article}, abstract = {A transition-metal-catalyzed borrowing hydrogen/hydrogen auto-transfer strategy allows the utilization of feedstock alcohols as an alkylating partner, which avoids the formation of stoichiometric salt waste and enables a direct and benign approach for the construction of C-N and C-C bonds. In this study, a nickel-catalyzed alpha-alkylation of unactivated amides and ester (tert-butyl acetate) is carried out by using primary alcohols under mild conditions. This C-C bond-forming reaction is catalyzed by a new, molecularly defined nickel(II) NNN-pincer complex (0.1-1 mol \%) and proceeds through hydrogen auto-transfer, thereby releasing water as the sole byproduct. In addition, N-alkylation of cyclic amides under Ni-catalytic conditions is demonstrated.}, doi = {10.1002/cssc.201801443}, author = {Midya, Siba P. and Rana, Jagannath and Pitchaimani, Jayaraman and Nandakumar, Avanashiappan and Madhu, Vedichi and Balaraman, Ekambaram} } @article {45479, title = {Ni-catalyzed dehydrogenative coupling of primary and secondary alcohols with methyl-N-heteroaromatics}, journal = {Organic Chemistry Frontiers}, volume = {5}, year = {2018}, month = {NOV}, pages = {3250-3255}, type = {Article }, abstract = {Here we report the first base-metal catalyzed dehydrogenative coupling of primary (aromatic, heteroaromatic, and aliphatic) and secondary alcohols with methyl-N-heteroaromatics to form various C(sp(3))-alkylated N-heteroaromatics. The reaction is enabled by Earth abundant, non-precious NiBr2 as a transition metal catalyst and N,N,N,N-tetramethylethylenediamine (TMEDA) as a ligand system. Mechanistic studies reveal that a hydrogen auto-transfer process is involved in the direct C(sp(3))-alkylation and the reaction proceeds through an -olefination process.}, doi = {10.1039/c8qo00764k}, author = {Rana, Jagannath and Babu, Reshma and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {45474, title = { Nitrosporeusine analogue ameliorates Chandipura virus induced inflammatory response in CNS via NF kappa b inactivation in microglia}, journal = {PLOS Neglected Tropical Diseases}, volume = {12}, year = {2018}, month = {JUL}, type = {Article}, abstract = {Chandipura Virus (CHPV), a negative-stranded RNA virus belonging to the Rhabdoviridae family, has been previously reported to bring neuronal apoptosis by activating several factors leading to neurodegeneration. Following virus infection of the central nervous system, microglia, the ontogenetic and functional equivalents of macrophages in somatic tissues gets activated and starts secreting chemokines, thereby recruiting peripheral leukocytes into the brain parenchyma. In the present study, we have systemically examined the effect of CHPV on microglia and the activation of cellular signalling pathways leading to chemokine expression upon CHPV infection. Protein and mRNA expression profiles of chemokine genes revealed that CHPV infection strongly induces the expression of CXC chemokine ligand 10 (CXCL10) and CC chemokine ligand 5 (CCL5) in microglia. CHPV infection triggered the activation of signalling pathways mediated by mitogen-activated protein kinases, including p38, JNK 1 and 2, and nuclear factor kappa B (NF-kappaB). CHPV-induced expression of CXCL10 and CCL5 was achieved by the activation of p38 and NF-kappaB pathways. Considering the important role of inflammation in neurodegeneration, we have targeted NF-kappaB using a newly synthesised natural product nitrosporeusine analogue and showed incapability of microglial supernatant of inducing apoptosis in neurons after treatment.}, issn = {1935-2735}, doi = {10.1371/journal.pntd.0006648}, author = {Verma, Abhishek Kumar and Waghmare, Trushnal S. and Jachak, Gorakhnath R. and Philkhana, Satish Chandra and Reddy, D. Srinivasa and Basu, Anirban} } @article {44538, title = {Non-isothermal analysis of extrusion film casting using multi-mode Phan-Thien Tanner constitutive equation and comparison with experiments}, journal = {Rheologica Acta}, volume = {57}, year = {2018}, month = {JUL}, pages = {493-503}, abstract = {

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

}, keywords = {Deborah number, Draw resonance, Film extrusion, Multi-mode, Nonisothermal, stability}, issn = {0035-4511}, doi = {10.1007/s00397-018-1095-7}, author = {Chougale, Sanket and Rokade, Dhammaraj and Bhattacharjee, Tanushree and Pol, Harshawardhan and Dhadwal, Renu} } @article {45365, title = { Novel pharmaceutical salts of albendazole}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {NOV}, pages = { 6394-6405}, type = {Article}, abstract = {Albendazole (ABZ) is a class II safe and effective antihelmintic drug in the benzimidazole group according to the BCS (Biopharmaceutics Classification System) with low solubility (9 mg L-1) and high permeability (log P 2.54). Novel salts and salt hydrates of ABZ are reported with benzene and p-toluene sulfonic acid (BSA, PTSA), as well as carboxylic acids such as oxalic acid (OA), maleic acid (MLE), L-tartaric acid (LTA), 2,6-dihydroxybenzoic acid (2,6-DHBA), and 2,4,6-trihydroxybenzoic acid (2,4,6-THBA). The products ABZ-BSA, ABZ-BSA-H, ABZ-PTSA, ABZ-PTSA-H, ABZ-OA-H and ABZ-2,6-DHBA were confirmed by single crystal X-ray diffraction. In the hydrate structures (designated as -H), the water molecule acts as a bridge in the hydrogen bonding network. The salt formation of ABZ-MLE, ABZ-LTA, and ABZ-2,4,6-THBA was confirmed by N-15 ss-NMR based on the chemical shift change of ca. 50 ppm. The sulfonate salt hydrates exhibit 2D isostructurality, and position disorder in the thiopropyl group in the drug crystal structure was not observed in the salts. Crystal lattice energies were calculated for the MLE, LTA, and 2,4,6-THBA complexes of ABZ to confirm the molecular salt formation. The cocrystals of ABZ with the hydroxybenzene carboxylic acids are novel salts in the benzimidazole drugs class.}, author = {Bolla, Geetha and Nangia, Ashwini} } @article {44363, title = {Nucleic aptamer modified porous reduced graphene oxide/MoS2 based electrodes for viral detection: application to human papillomavirus (HPV)}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {991-1000}, type = {Article}, abstract = {Next to graphene nanomaterials, molybdenum disulfide (MoS2) offers large surface area that can enhance its biosensing performance. In this work, we investigate the performance of glassy carbon (GC) electrodes modified successively with porous reduced graphene oxide (prGO) and molybdenum sulfide (MoS2) for the sensitive and selective detection of the L1-major capsid protein of human papilloma virus (HPV). Owing to the difficulties to perform serological assays and HPV culture efficiently, tools based on molecular recognition are becoming of great importance. We developed here an electrochemical sensor for HPV upon covalent functionalization of the electrode with an aptamer Sc5-c3, a RNA aptamer targeted against the HPV-16 L1 protein. Using differential pulse voltammetry (DPV) and an optimized sensor interface, a linear relationship between the peak current density of a redox couple such as [Fe(CN)6]4- and the concentration of HPV-16 L1 proteins in the range of 0.2-2 ng mL(-1) (3.5 pM-35.3 pM) could be reached with a detection limit of 0.1 ng mL(-1) (1.75 pM). Cross-reactivity studies demonstrated high selectivity over potential interfering species such as HPV-16 E6, opening new opportunities of the developed concept for the development of point of care devices. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.02.065}, author = {Chekin, Fereshteh and Bagga, Komal and Subramanian, Palaniappan and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @conference {47492, title = {Opto-electronic analysis of Cs2PdCl2Br4 Perovskites compounds for photovoltaic applications}, booktitle = {2018 International Conference and Utility Exhibition on Green Energy for Sustainable Development (ICUE)}, year = {2018}, month = {OCT}, publisher = {IEEE}, organization = {IEEE}, address = {Phuket, Thailand}, abstract = {In this paper, electronic and optical properties of Cs2PdCl2Br4 perovskite compound are presented using full potential linearized augmented plane wave (FP-LAPW) method. All computations are performed using most accurate modified Becke Johnson (mBJ) potential within density functional theory. Energy band computations are performed over here to elaborate relationship between energy and wave vector (k). Pattern of occurrence observed for energy bands are analyzed in terms of plotted total and partial density of states. For investigating optical behavior of Cs2PdCl2Br4, we have computed dielectric tensor, absorption spectra, reflectivity and refraction spectra using mBJ potential. Different peaks recorded in the imaginary components of dielectric tensor are interpreted in terms of interband transitions for better understanding. Significant absorption intensity available in desired energy range and suitable band gap indicates effective utilization of this compound in photovoltaic applications.}, doi = {10.23919/ICUE-GESD.2018.8635653}, author = {Soni, Amit and Sahariya, Jagrati and Bhamu, K. C. and Ahuja, Ushma} } @conference {45506, title = {Opto-electronic analysis of promising photovoltaic Cs2PdCl4Br2: An upcoming perovskite material}, booktitle = {WIECON-ECE 2017 - IEEE International WIE Conference on Electrical and Computer Engineering 2017}, year = {2018}, month = {SEP}, abstract = {

he metal halide perovskites are attracting much attention due to their potential applications in optoelectronic devices. Herein, we review and calculate a new avenue for Cs 2 PdCl 4 Br 2 perovskites by computing its electronic and optical properties to show its candidature in optoelectronics. For the computation of electronic and optical properties, we have used modified Becke Johnson approximation available in Wien2k code, based on full potential linearised augmented plane wave method. Investigated electronic and optical properties show that Cs 2 PdCl 4 Br 2 has the indirect band gap of 1.70 eV. The significant intense peaks in absorption spectra between energy range 2-3 eV reveals the utility of this compound in solar cells and other optoelectronic devices.

}, doi = { 10.1109/WIECON-ECE.2017.8468904}, author = {Sahariya, J. and Soni, A. and Bhamu, K. C.} } @article {45353, title = { Organic phase transmetallation approach for synthesis of hollow Ni-Au nanocomposites with tunable cavity size}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {DEC}, pages = { 19615-19624}, type = {Article }, abstract = {

Ni-Au nanocomposites in the form of hollow spheres with controlled cavity size have been successfully synthesized by the transmetallation reaction between hydrophobized Ni nanoparticles and hydrophobized Au precursors. This can be considered as a fairly unique synthesis strategy that does not require any additional external reductants. The synthesis is carried out in a nonpolar solvent and precise tuning of the cavity size has been achieved only by varying the ratio of the two reacting components. A detailed characterization has been performed via UV-vis spectroscopy, XPS, TEM, EDAX, and SEM. The mechanistic aspect is established from FTIR. SQUID-VSM confirmed the magnificent superparamagnetism of the nanocomposites.

}, issn = {1144-0546}, doi = {10.1039/c8nj03668c}, author = {Sardar, Debasmita and Ahmed, Md Azaharuddin and Bandyopadhyay, Sudipta and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {44612, title = {Organocatalyst bound -aminoalkyl radical intermediate for controlled aerobic oxidation of iminium ions}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JUL}, pages = {5081-5085}, abstract = {

A catalyst bound -aminoalkyl radical intermediate from iminium is developed to control its formation and reactivity with aerobic oxygen. The influence of the catalyst was demonstrated via the ease of radical intermediate formation and its subsequent reactivity, including the first catalyst-controlled enantioselective aerobic oxidation with a chiral phosphite catalyst.

}, issn = {1477-0520}, doi = {10.1039/c8ob01032c}, author = {Motaleb, Abdul and Bera, Asish and Maity, Pradip} } @article {45424, title = { Oxidant-free oxidative gold catalysis: the new paradigm in cross-coupling reactions}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {OCT}, pages = {11069-11083}, type = {Article}, abstract = {

The construction of C-C and C-X (X = hetero atom) bonds is the core aspect for the assembly of molecules. In this regard, late transition-metal-catalyzed cross-coupling reactions have retained their dominance for decades. Lately, gold catalysts have been emerging as a reliable contender for such transformations owing to the recent findings that reveal gold{\textquoteright}s potential beyond carbophilic -Lewis acid. The newfound ability of gold to undergo redox transformations under certain circumstances has allowed us to explore gold catalysts as a viable alternative to other late transition-metals for efficient construction of cross-coupled products. This feature article critically presents an overview of all the redox neutral cross-coupling reactions enabled by gold catalysis, which we believe would stimulate further research activities in this promising area.

}, isbn = {1359-7345}, doi = {10.1039/c8cc05601c}, author = {Akram, Manjur O. and Banerjee, Somsuvra and Saswade, Sagar S. and Bedi, Vaibhav and Patil, Nitin T.} } @article {45384, title = { Oxidative NHC catalysis for the generation of imidoyl azoliums: synthesis of benzoxazoles }, journal = {Journal of Organic Chemistry }, volume = {83}, year = {2018}, month = { DEC}, pages = {14820-14826}, type = {Article}, abstract = {

N-Fleterocyclic carbene (NHC)-catalyzed intramolecular cyclization of aldimines generated from 2-amino phenols and aromatic aldehydes leading to the synthesis of 2-arylbenzoxazoles under mild conditions is presented. The reaction proceeds via the generation of the aza-Breslow intermediates from imines and NHC, which under oxidative conditions form the key imidoyl azoliums and a subsequent intramolecular cyclization furnishes the product. The reaction tolerates a broad range of functional groups, and the products are formed in generally good yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02598}, author = {Patra, Atanu and James, Anjima and Das, Tamal Kanti and Biju, Akkattu T.} } @article {44546, title = {Patho-physiological evaluation of Duranta erecta for the treatment of urolithiasis}, journal = {Journal of Ayurveda and integrative medicine}, year = {2018}, month = {MAY}, abstract = {

Background: Urolithiasis is the third common disorder of the urinary system affecting 10-15\% of the general population. In recent years, search for new antilithiatic drugs from natural sources has assumed greater importance. Objectives: This study was performed to investigate the anti-urolithiatic activity of methanolic extract of Duranta erecta leaves by in vitro and in vivo analysis. Materials and methods: The study was designed to determine presence of phytochemicals in D. erecta, its yield in percentage, antioxidant activity against 2, 2-diphenyl-1-picrylhydrazyl (DPPH) and anti-microbial property against few bacteria. In vitro analysis was carried out study anti-urolithiatic property of D. erecta by nucleation assay and synthetic urine assay for inhibition of calcium oxalate and calcium oxalate monohydrate crystals formation. An in vivo experiment was performed on Wistar rats for confirmation of anti-urolithiatic property of D. erecta in animal model. Results: D. erecta has the presence of primary and secondary metabolites like glycoside, saponins, sterols, flavonoids, phenols, tannins, alkaloids, carbohydrates and proteins. Methanolic extract of D. erecta gave a very good yield (60\%). D. erecta proved its antioxidant potential by 93.51\% inhibition of DPPH radical at a concentration of 1000 μg/mL where ascorbic showed 94.71\% of DPPH radical at the same concentration. In vitro tests like nucleation assay and synthetic urine assay showed that D. erecta inhibits formation of calcium oxalate and calcium oxalate monohydrate crystals. It also showed the anti-microbial property by formation of zone of inhibition against few bacteria. An in vivo experiment on Wistar rat animal model confirmed the anti-urolithiatic property of D. erecta L. leaves extract. Conclusions: Based on the results, we reported that D. erecta may treat calcium oxalate crystal deposition in the kidney by preventing hyperoxaluria-induced peroxidative damage to the renal tubular membrane surface (lipid peroxidation). It has anti-microbial potential so it may also inhibit the secondary bacterial infection in kidney. Based on the data, it can be concluded that this herb can be used as a potential anti-urolithiasis agent for kidney stone removal.

}, doi = { 10.1016/j.jaim.2017.08.001}, author = {Agawane, S. B. and Gupta, V. S. and Kulkarni, Mahesh J. and Bhattacharya, A. K. and Koratkar, Santosh and Rao, Vankudoth Koteswara} } @article {44603, title = {Pd(II)-Catalyzed gamma-C(sp(3))-H alkynylation of amides: selective functionalization of R chains of amides (RC)-C-1(O)NHR}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUL}, pages = {7483-7486}, abstract = {

The gamma C(sp(3))-H bond alkynylation of R chains of amides (RC)-C-1(O)NHR, a fundamental class of synthetic substrates, has not been accomplished to date. Here, the first example of palladium(ii)-catalyzed alkynylation of an unactivated gamma C(sp(3))-H bond of alkyl amides (cyclic, linear, and amino acids) is reported. The kinetic experiment shows that the rate of the reaction depends on the coupling partners and the amides. Late-stage diversification of alkynylated amides was developed by utilizing amine and alkyne functionalities.

}, issn = {1359-7345}, doi = {10.1039/c8cc03445a}, author = {Landge, Vinod G. and Parveen, Ayisha and Nandakumar, Avanashiappan and Balaraman, Ekambaram} } @article {44187, title = {pH- and time-resolved in situ SAXS study of self-assembled twisted ribbons formed by elaidic acid sophorolipids}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {FEB }, pages = {2121-2131}, type = {Article}, abstract = {

Conditions that favor the helical structure formation in structurally similar sophorolipids (SLs), that is, elaidic acid SLs (having a trans double bond between the C9 and C10 positions of the alkyl chain) and stearic acid SLs (no double bond), are presented here. The helical self-assembled structures formed by elaidic acid SLs were independent of pH and also were mediated by a micellar intermediate. On the other hand, the stearic acid SLs formed helical structures under low pH condition only. Astonishingly, the formation routes were found to be different, albeit the molecular geometry of both SLs is similar. Even if a conclusive mechanistic understanding must await further work, our studies strongly point out that the noncovalent weak interactions in elaidic acid SLs are able to overcome the electrostatic repulsions of the sophorolipid carboxylate groups at basic pH and facilitating the formation of helical structures. On the other hand, the hydrophobic interactions in stearic acid SLs endow the helical structures with extra stability, making them less vulnerable to dissolution upon heating.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.7b03164}, author = {Dhasaiyan, Prabhu and Prevost, Sylvain and Baccile, Niki and Prasad, Bhagavatula L. V.} } @article {44205, title = {Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JAN}, pages = {428-433}, type = {Article}, abstract = {

Herein, we report a novel, molecularly defined NNN-type cobalt pincer complex catalyzed transfer semi-hydrogenation of unbiased alkynes to Z-selective alkenes. This unified process is highly stereo-and chemo-selective and exhibits a broad scope as well as wide functional group tolerance. Ammonia-borane (AB), a bench-stable substrate with high gravimetric hydrogen capacity, was used as a safe and practical transfer hydrogenating source.

}, issn = {2044-4753}, doi = {10.1039/c7cy01994g}, author = {Landge, Vinod G. and Pitchaimani, Jayaraman and Midya, Siba P. and Subaramanian, Murugan and Madhu, Vedichi and Balaraman, Ekambaram} } @article {45459, title = {Photocatalysis enabling acceptorless dehydrogenation of diaryl hydrazines at room temperature}, journal = {ACS Catalysis}, volume = {8}, year = {2018}, month = {AUG}, pages = {7727-7733}, type = {Article}, abstract = {

Aromatic azo compounds are privileged structural motifs, and they exhibit a myriad of pharmaceutical as well as industrial applications. Here, we report a catalytic acceptorless dehydrogenation of diarylhydrazine derivatives to access a wide variety of aryl-azo compounds with the removal of molecular hydrogen as the sole byproduct. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and Co(dmgH)(2)(py)Cl as the proton-reduction catalyst. The reaction proceeds smoothly under very mild and benign conditions and operates at ambient temperature. This dual catalytic approach is highly compatible with many different functional groups and has a broad substrate scope. We have also demonstrated the reversible hydrogen storage and release phenomenon on hydrazobenzene/azobenzene couple to show the utility of these compounds as hydrogen storage materials. Further diversification of azobenzene was shown by a transition metal-catalyzed azo-group-directed ortho-C-H bond functionalization.

}, keywords = {acceptorless dehydrogenation, Azo benzene, dual catalysis, Hydrogen, photoredox catalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.8b01579}, author = {Sahoo, Manoj K. and Saravanakumar, Krishnasamy and Jaiswal, Garima and Balaraman, Ekambaram} } @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 {44399, title = {Porosity prediction through hydrogen bonding in covalent organic frameworks}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {APR}, pages = {5138-5145}, abstract = {Easy and bulk-scale syntheses of two-dimensional (2D) covalent organic frameworks (COFs) represent an enduring challenge in material science. Concomitantly, the most critical aspect is to precisely control the porosity and crystallinity of these robust structures. Disparate complementary approaches such as solvothermal synthesis have emerged recently and are fueled in part by the usage of different modulators and acids that have enriched the COF library. Yet, the fundamental understanding of the integral processes of 2D COF assembly, induding their growth from nucleating sites and the origin of periodicity, is an intriguing chemical question that needs to be answered. To address these cardinal questions, a green and easy-to-perform approach of COF formation has been delineated involving acid-diamine salt precursors. The role of hydrogen bonding [d(av)(N-amine-H center dot center dot center dot O-acid); d(av) signifies the average N-amine-H center dot center dot center dot O-acid distances, i.e., the average distance from the H atom of the amine to the O atom of the acid] present in the acid-diamine salts in improving the COFs{\textquoteright} crystallinity and porosity has further been decoded by thorough crystallographic analyses of the salt molecules. What is particularly noteworthy is that we have established the hydrogen-bonding distances d(av)(N-amine-H center dot center dot center dot O-acid) in the acid-diamine salts that are pivotal in maintaining the reversibility of the reaction, which mainly facilitates highly crystalline and porous COF formation. Moreover, this reactant-structure to the product-quality relationship has further been utilized for the synthesis of highly crystalline and porous COFs that are unattainable by other synthetic means.}, doi = {10.1021/jacs.7b13558}, author = {Karak, Suvendu and Kumar, Sushil and Pachfule, Pradip and Banerjee, Rahul} } @article {44552, title = {Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 2: Application to the analysis of calcitonin containing pharmaceutical formulation}, journal = {Electrochimica Acta}, volume = {266}, year = {2018}, month = {MAR }, pages = {364-372}, abstract = {

In part 1 (A. Vasilescu et al., Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 1: Lysozyme aggregation at pH 2 and 7.4 Electrochem. Acta, 254 (2017) 375 -383) we proposed porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) in combination with differential pulse voltammetry as a new analytical tool for aggregation studies of proteins. Lysozyme was used as a model to follow its aggregation by electrochemical means at pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Part 2 of this work widens the scope of this approach by investigating a biopharmaceutical product, as the aggregation of peptide based drugs affects their therapeutic activity and can induce allergic reactions in patients. The salmon polypeptide calcitonin (sCT) was chosen as an example of a bioactive peptide with limited pharmaceutical potential due to a tendency to form cytotoxic aggregates and amyloid fibrils. For practical applications, screen printed electrodes (SPE) and flexible electrodes (FE) modified with polydiallyldimethylammonium (PDDA) and prGO by using the layer-by-layer deposition technique have been developed for the detection of sCT. The results indicate that these electrodes can differentiate between formation of amyloid aggregates of calcitonin (2 mg mL(-1)) in citrate buffer to no aggregation in acetate buffer. It was further demonstrated that these electrodes are able to analyze a pharmaceutical drug product of low potency, Miacalcic (8.3 mu g mL(-1)), where no aggregation was observed. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Calcitonin, Disposable electrodes, Electrochemistry, Porous reduced graphene oxide, Protein aggregation}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.02.038}, author = {Vasilescu, Alina and Ye, Ran and Boulahneche, Samia and Lamraoui, Sabrina and Jijie, Roxana and Medjram, Mohamed Salah and Gaspar, Szilveszter and Singh, Santosh K. and Kurungot, Sreekumar and Melinte, Sorin and Boukherroub, Rabah and Szunerits, Sabine} } @article {45409, title = { Process intensification strategies for enhanced holocellulose solubilization: Beneficiation of pineapple peel waste for cleaner butanol production}, journal = {Journal of Cleaner Production}, volume = {199}, year = {2018}, month = {OCT}, pages = {937-947}, type = {Article}, abstract = {Biorefinery sector has become a serious dispute for cleaner and sustainable development in recent years. In the present study, pretreatment of pineapple peel waste was carried out in high pressure reactor using various pretreatment-enhancers. The type and concentration effect of each enhancer on hemicellulose solubilization was systematically investigated. The binary acid (phenol + sulfuric acid) at 180 degrees C was found to be superior amongst other studied enhancers, giving 81.17\% (w/v) hemicellulose solubilization in liquid-fraction under optimized conditions. Solid residue thus obtained was subjected to enzymatic hydrolysis that resulted into 24.50\% (w/v) cellulose breakdown. Treated solid residue was further characterized by scanning electron microscopy and fourier transform infrared spectroscopy to elucidate structural changes. The pooled fractions (acid treated and enzymatically hydrolyzed) were fermented using Clostridium acetobutylicum NRRL B 527 which resulted in butanol production of 5.18 g/L with yield of 0.13 g butanol/g sugar consumed. Therefore, pretreatment of pineapple peel waste evaluated in this study can be considered as milestone in utilization of low cost feedstock, for bioenergy production. (C) 2018 Elsevier Ltd. All rights reserved.}, issn = { 0959-6526}, doi = { 10.1016/j.jclepro.2018.07.205}, author = {Khedkar, Manisha A. and Nimbalkar, Pranhita R. and Kamble, Sanjay P. and Gaikwad, Shashank G. and Chavan, Prakash V. and Bankar, Sandip B.} } @article {45383, title = {Proteomic study of endothelial dysfunction induced by Ages and its possible role in diabetic cardiovascular complications}, journal = {Journal of Proteomics }, volume = {187}, year = {2018}, month = {SEP}, pages = {69-79}, type = {Article}, abstract = {

Endothelial dysfunction is one of the primary steps in the development of diabetes associated cardiovascular diseases. Hyperglycemic condition in diabetes promotes accumulation of advanced glycation end products (AGEs) in the plasma, that interact with the receptor for AGEs (RAGE) present on the endothelial cells and negatively affect their function. Using Human umbilical vascular endothelial cells (HUVECs) in culture, the effect of glycated human serum albumin on global proteomic changes was studied by SWATH-MS, a label free quantitative proteomic approach. Out of the 1860 proteins identified, 161 showed higher abundance while 123 showed lesser abundance in cells treated with glycated HSA. Bioinformatic analysis revealed that the differentially regulated proteins were involved in various processes such as apoptosis, oxidative stress etc. that are associated with endothelial dysfunction. Furthermore, the iRegulon analysis and immunofuorescence studies indicated that several of the differentially regulated proteins were transcriptionally regulated by NF-kappa B, that is downstream to AGE-RAGE axis. Some of the important differentially regulated proteins include ICAM1, vWF, PAI-1 that affect important endothelial functions like cell adhesion and blood coagulation. qPCR analysis showed an increase in expression of the AGE receptor RAGE along with other genes involved in endothelial function. AGE treatment to HUVEC cells led to increased oxidative stress and apoptosis. This is the first proteomics study that provides insight into proteomic changes downstream to AGE-RAGE axis leading to endothelial dysfunction and predisposing to cardiovascular complications. Significance: Cardiovascular disease (CVD) is a major pathological outcome in diabetic patients and it is important to address ways that target its development before the onset. Elevated plasma AGEs in diabetes can affect endothelial function and can continue to show their effects even after blood glucose levels are back to normal. Since endothelial dysfunction acts as one of the initiating factors for the development of CVD, understanding how AGEs affect the endothelial cell proteome to cause dysfunction will provide insight into the mechanisms involved and aid designing new therapeutic approaches.

}, doi = {10.1016/j.jprot.2018.06.009}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kulkarni, Mahesh J.} } @article {45436, title = { Rational design of coumarin derivatives as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {10}, year = {2018}, month = {OCT}, pages = {2431-2444}, type = {Article}, abstract = {A series of coumarin derivatives was designed as potential antituberculosis agents. Results: The compounds were screened against active and dormant Mycobacterium tuberculosis (Mtb). Compounds 3k and 3n were found to have the most promising activity against replicating MtbH37Rv exhibiting minimum inhibitory concentration of 4.63 and 9.75 mu M respectively. The compounds were also effective against dormant MtbH37Rv exhibiting more potency than the standard drugs, isoniazid and rifampicin. The compounds were found to be non-cytotoxic against human cell lines. Conclusion: This study provides promising antituberculosis agents that are effective against replicating as well as dormant Mtb and can thus act as potential leads for further development. }, issn = {1756-8919}, doi = {10.4155/fmc-2018-0015}, author = {Mali, Hemlata M. and Sabale, Sandip S. and Degani, Mariam S. and Borkute, Rachana and Choudhari, Amit S. and Sarkar, Dhiman and Krishna, Vagolu Siva and Sriram, Dharmarajan} } @article {45547, title = {Real-Time monitoring of biopharmaceutical crystallization: chord length distribution to crystal size distribution for lysozyme, rHu insulin, and vitamin B12}, journal = {Industrial and Engineering Chemistry Research}, year = {2018}, month = {DEC}, type = {Article}, abstract = {This investigation is focused on designing an effective strategy for the real-time monitoring of biopharmaceutical crystallization using focused beam reflectance measurement (FBRM). Lysozyme, rHu insulin, and vitamin B12 were selected as model biopharmaceutical molecules for the study. Under selected experimental conditions, lysozyme exhibits polymorphism with tetragonal and needle-shaped crystals, rHu insulin forms rhombohedral crystals, and vitamin B12 forms polyhedral-shaped crystals. Focused beam reflectance measurements were performed to obtain the real time chord length distribution (CLD) of crystals obtained using static and dynamic conditions. Mathematical models were developed for converting CLD data obtained using FBRM measurements into the useful crystal size distribution (CSD) data for low (tetragonal, rhombohedral and polyhedral) and high aspect ratio crystals (needle). For high-aspect-ratio crystals, both width-based and length-based models were developed for capturing the CSD. The model validation was performed by comparing the model CSD with the CSD obtained using microscopic image analysis. Developed models effectively capture the CSD for variable shape crystals of lysozyme, rHu insulin, and vitamin B12. It was demonstrated that in the case of high-aspect-ratio crystals, there is an intrinsic limitation in using FBRM for length-based crystal size measurement.}, doi = {10.1021/acs.iecr.8b04613}, author = {Pandit, A. and Katkar, V. and Ranade, V. and Bhambure, R.} } @article {44555, title = {Recent advances in molecular rearrangements involving aryne intermediates}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAR}, pages = {2580-2594}, abstract = {

This Feature Article is aimed at highlighting the recent developments in the transition-metal-free molecular rearrangements involving arynes. The chemistry of arynes has shown incredible developments especially in transition-metal-free carbon-carbon and carbon-heteroatom bond-forming reactions in the last three decades. The rapid growth in this field is mainly due to the development of mild methods for the generation of arynes. One aspect of the recent developments in the chemistry of arynes involves the molecular rearrangements proceeding via this electrophilic intermediate. The molecular rearrangements have provided direct access to a library of valuable molecules, which cannot be accessed in a single step through other synthetic routes. Herein, we present a concise account on the developments that occurred in this field over the last three decades.

}, issn = {1359-7345}, doi = {10.1039/c7cc09122b}, author = {Roy, Tony and Biju, Akkattu T.} } @article {45463, title = {Recent advances in the organocatalytic enantioselective synthesis of functionalized -lactones}, journal = {Chemistry-An Asian Journal}, volume = {13 }, year = {2018}, month = {SEP}, pages = {2333-2349 }, type = {Article}, abstract = {

This Focus Review highlights recent developments in the organocatalytic enantioselective synthesis of -lactone derivatives. Owing to the importance of -lactones as a heterocyclic motif that is present in a variety of natural products and biologically active molecules, several catalytic methods have been developed for the synthesis of these compounds in their enantiomerically pure form. Organocatalytic methods that employ N-heterocyclic carbenes (NHCs), cinchona alkaloids, isothioureas, 4-dimethylaminopyridine (DMAP) derivatives, and phosphines have allowed the highly enantioselective synthesis of -lactones from cheap and readily available starting materials. Moreover, the inherent strain in the four-membered ring of -lactones has also been utilized in further synthetic transformations, thus making -lactones a versatile intermediate in organic synthesis.

}, doi = {10.1002/asia.201800902}, author = {Mukherjee, Subrata and Biju, Akkattu T.} } @article {44643, title = {Repeated photoporation with graphene quantum dots enables homogeneous labeling of live cells with extrinsic markers for fluorescence microscopy}, journal = {Light-Science \& Applications}, volume = {7}, year = {2018}, month = {AUG}, pages = {47}, abstract = {

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

}, issn = {2047-7538}, doi = {10.1038/s41377-018-0048-3}, author = {Liu, Jing and Xiong, Ranhua and Brans, Toon and Lippens, Saskia and Parthoens, Eef and Zanacchi, Francesca Cella and Magrassi, Raffaella and Singh, Santosh K. and Kurungot, Sreekumar and Szunerits, Sabine and Bove, Hannelore and Ameloot, Marcel and Fraire, Juan C. and Teirlinck, Eline and Samal, Sangram Keshari and De Rycke, Riet and Houthaeve, Gaelle and De Smedt, Stefaan C. and Boukherroub, Rabah and Braeckmans, Kevin} } @article {44560, title = {Revealing optoelectronic and transport properties of potential perovskites Cs2PdX6 (X = Cl, Br): A probe from density functional theory (DFT)}, journal = {Solar Energy}, volume = {162}, year = {2018}, month = {MAR }, pages = {336-343}, abstract = {

Metal-halide perovskites are rapidly emerging crystalline materials that are reasonably preferred as leading aspirant for applications in optoelectronic and thermoelectric devices. In this paper, we have thoroughly reviewed and performed calculations to reveal optoelectronic and transport properties for a potential newcomer, Cs2PdX6 (X = Cl, Br) termed as Cesium Palladium Halides (CPH). Outcome of present computations are compared with available results and a reasonable agreement is recorded. Energy band gap computations performed reveal indirect band gap of 2.29 eV for Cs2PdC16, which substantially reduces to 1.22 eV when {\textquoteleft}Cl{\textquoteright} is replaced by {\textquoteleft}Br{\textquoteright}. Optical absorption spectra investigations performed here, in the energy range from 3 to 5 eV confirms effective utilization of these compounds in solar cells and other optoelectronic applications. In addition, the transport properties computations performed using semi-classical Boltzmann theory, shows constant pattern of thereto power near ambient temperature range (200-500 K), which admits possible utilization of these compounds as low temperature thermoelectric materials. Performed ZT calculations demonstrates reasonably good thermoelectric performance for both materials, as there exist minor variation (0.1) in the values over wide temperature ranges i.e. from 100 to 800 K. Further, detailed analysis of transport properties predicts p-type semiconducting nature of the present series of materials.

}, keywords = {Ab-initio studies, Density functional theory, Optical properties, Transport properties}, issn = {0038-092X}, doi = {10.1016/j.solener.2018.01.059}, author = {Bhamu, K. C. and Soni, Amit and Sahariya, Jagrati} } @article {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 {44217, title = {Ru(II)-functionalized SBA-15 as highly chemoselective, acid free and sustainable heterogeneous catalyst for acetalization of aldehydes and ketones}, journal = {Catalysis Communications}, volume = {104}, year = {2018}, month = {JAN}, pages = {62-66}, type = {Article}, abstract = {

Combining electron deficient Ru(II) coordination sites with organofunctionalized SBA-15, (L)Ru(Il)@SBA-15, result in a mild, neutral, water scavenger free and chemo-selective acetalization catalyst for cyclic/acyclic acetals. Vacant coordination sites of ruthenium in (L)Ru(II)@SBA-15 activates protecting groups as well as reactants simultaneously and restricts the reverse acetalization reaction. Synthesized (L)Ru(Il)@SBA-15 catalyst has been thoroughly characterized and act as competitive catalyst compared to conventional acid catalysts. (L) RuaD@SBA-15 performs high catalytic activity as well as selectivity within 20 min with high TOF. The catalyst can be recycled and reaction parameters are optimized.

}, keywords = {Acetalization reactions, Acid free, chemo-selective, heterogeneous catalyst, Reusable, Ru(II) immobilized SBA-15}, issn = {1566-7367}, doi = {10.1016/j.catcom.2017.10.016}, author = {Lazar, Anish and Betsy, K. J. and Vinod, C. P. and Singh, A. P.} } @article {44639, title = {Selective oxidation of cyclohexane to cyclohexanone using chromium oxide supported mesoporous MCM-41 nanospheres: probing the nature of catalytically active chromium sites}, journal = {ChemCatChem}, volume = {10}, year = {2018}, month = {AUG}, pages = {3291-3298}, abstract = {

Highly dispersed chromium oxide supported mesoporous MCM-41 nanosphere catalysts have been synthesized using a simple wet impregnation method. This work is devoted to a systematic study to reveal the active Cr sites in chromium oxide supported MCM-41 nanosphere catalysts for the selective oxidation of cyclohexane to cyclohexanone. To probe the nature of the active species, we synthesized 0.5-10wt\% Cr loaded catalysts and characterized them by using XRD, UV/Vis spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near edge structure analysis, N-2 sorption analysis, FTIR spectroscopy, (SiNMR)-Si-29 spectroscopy, SEM, and TEM. The liquid-phase oxidation of cyclohexane to cyclohexanone (99\% selectivity) was performed under mild reaction conditions, and the results reveal clearly that the 5wt\% Cr loaded catalyst was optimum for the reaction. The initial composition of isolated Cr3+ species in the catalyst is the major factor that influences the enhanced activity for cyclohexane oxidation.

}, keywords = {chromium, heterogeneous catalysis, Nanostructures, Oxidation, supported catalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201800309}, author = {Betsy, Kurisingal J. and Nayak, Chandrani and Lazar, Anish and Krishnan, Athira and Bhattacharyya, Dibyendu and Jha, Shambhu N. and Vinod, Chathakudath P.} } @article {44362, title = {Sensitive electrochemical detection of cardiac troponin I in serum and saliva by nitrogen-doped porous reduced graphene oxide electrode}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {180-187}, type = {Article}, abstract = {Cardiovascular diseases pose one of the highest mortality risks among all diseases in developed countries, steadily increasing the burden on the health systems. Early diagnosis of cardiovascular diseases has consequently become highly important to decrease mortality and to use more adapted therapeutic decisions. We demonstrate here the utility of nitrogen-doped reduced graphene oxide (N-prGO) for detecting and quantifying of cardiac troponin I (cTnI), a key human cardiac protein biomarker, under physiologically relevant conditions. Non-covalent modification of N-prGO by 1-pyrenecarboxylic acid (py-COOH) and poly(ethylene glycol) modified pyrene (py-PEG) ligands allowed the covalent integration of Tro4 aptamer, known for its high selectivity towards cTnI. Using differential pulse voltammetry (DPV), a label-free electrochemical sensor for cTnI for concentrations down to 1 pgmL(-1) in human serum could be obtained. This sensitive detection arises from the integration of a porous nanomaterial with excellent electrochemical properties being easily amendable to site-specific surface modification. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.01.215}, author = {Chekin, Fereshteh and Vasilescu, Alina and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Iancu, Madalina and Badea, Gabriela and Boukherroub, Rabah and Szunerits, Sabine} } @article {44182, title = {Single step, phase controlled, large scale synthesis of ferrimagnetic iron oxide polymorph nanoparticles by thermal plasma route and their rheological properties}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {449}, year = {2018}, month = {MAR 1}, pages = {232-242}, type = {Article}, abstract = {

In this paper we report single step large scale synthesis of highly crystalline iron oxide nanoparticles viz. magnetite (Fe3O4) and maghemite (gamma-Fe2O3) via gas phase condensation process, where micron sized iron metal powder was used as a precursor. Selective phases of iron oxide were obtained by variation of gas flow rate of oxygen and hence partial pressure of oxygen inside the plasma reactor. Most of the particles were found to possesses average crystallite size of about 20-30 nm. The DC magnetization curves recorded indicate almost super-paramagnetic nature of the iron oxide magnetic nanoparticles. Further, iron oxide nanoparticles were analyzed using Raman spectroscopy, X-ray photoelectron spectroscopy and Mossbauer spectroscopy. In order to explore the feasibility of these nanoparticles for magnetic damper application, rheological studies have been carried out and compared with commercially available Carbonyl Iron (CI) particles. The nanoparticles obtained by thermal plasma route show improved dispersion which is useful for rheological applications. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Iron oxide, magnetic properties, Nano-crystalline materials, Rheological properties, Thermal plasma}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2017.09.056}, author = {Raut, Suyog A. and Mutadak, Pallavi R. and Kumar, Shiv and Kanhe, Nilesh S. and Huprikar, Sameer and Pol, Harshawardhan V. and Phase, Deodatta M. and Bhoraskar, Sudha V. and Mathe, Vikas L.} } @article {44236, title = {Solvent degradation studies using hydrodynamic cavitation}, journal = {Environmental Progress \& Sustainable Energy}, volume = {37}, year = {2018}, month = {JAN}, pages = {295-304}, type = {Article}, abstract = {

Hydrodynamic cavitation for the degradation of organic solvents was investigated in detail using a newer form of cavitating device-vortex diode. The results were also compared with that using conventional cavitating device orifice. Removal of three different organic solventsacetone, methyl ethyl ketone (MEK), and toluene were studied on a pilot plant with capacity of 1m(3)/h. The effect of different operating parameters such as inlet pressure, initial concentration, and reactor type on the degradation rate of solvent was investigated in detail. The results revealed that efficiency of solvent removal varies substantially with the change in physical operating conditions and nature of the solvent. It was found that up to 80\% degradation could be achieved for toluene (cavitational yield 32.2 x 10(-3) mg/J), substantially higher than that for acetone and MEK indicating the effect of molecular weight/structure in the degradation process. Further, the results clearly indicated chemical oxidation as a predominant mechanism for degradation and not physical destruction. Vortex diode that works on the principle of vortex generation for cavitation, was found to be far superior over conventional cavitating device-orifice- approximate to up to eight times higher cavitational yield could be obtained for toluene as compared to orifice. The results of this study provide newer insight into solvent removal using hydrodynamic cavitation and would have bearing on the treatment of solvent containing wastewaters. (C) 2017 American Institute of Chemical Engineers

}, keywords = {Effluent treatment, industry, pollution, Vortex diode, wastewater}, issn = {1944-7442}, doi = {10.1002/ep.12674}, author = {Suryawanshi, Pravin G. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ruparelia, Jayesh P. and Ranade, Vivek V.} } @article {45513, title = {Solvent-less solid state synthesis of dispersible metal and semiconducting metal sulfide nanocrystals}, journal = {ACS sustainable chem. eng}, volume = {6}, year = {2018}, month = {JUL}, pages = {12006{\textendash}12016}, type = {Article }, abstract = {Monolayer protected metal and metal sulfide nanocrystals (NCs) have mainly two constituents; the inorganic metal or metal chalcogenide complex as core and organic molecule as shell. Noticing that metal thiolates have these ingredients inbuilt in their structure, we investigated them as possible precursors for the preparation of monolayer protected metal and metal sulfide NCs via solid state grinding method. Accordingly silver and gold NCs have been prepared using a solvent less green approach, by the simple and convenient solid state grinding of the corresponding metal thiolate with sodium borohydride. Similarly, a large variety of uniform-sized semiconducting NCs of metal sulfides including PbS, CdS, ZnS, MnS, Ag2S, and CuS could also be synthesized by the same solid state route by grinding the metal thiolates with octyl dithiocarbamic acid (C8DTCA) and in some cases C8DTCA plus small amount of oleylamine as sulfur source. Interestingly, this simple technique could be used to prepare sub-3 nm NCs like Ag2S, PbS, and CuS which are otherwise difficult to prepare by the conventional high temperature solution routes also. Most gratifyingly, all these NCs, though were prepared by a solvent less grinding method, could be easily dispersed in nonpolar solvents as the preparation method ensued the formation of organic molecule capped NCs.}, doi = { 10.1021/acssuschemeng.8b02292}, author = {Bera, Abhijit and Busupalli, B. and Bhagavatula L. V. Prasad} } @article {45402, title = {Spatial-temporal spectroscopy characterizations and electronic structure of methylammonium perovskites}, journal = {MRS Communications}, volume = {8}, year = {2018}, month = {SEP}, pages = {961-969}, type = {Article}, abstract = {

Using time-resolved laser-scanning confocal microscopy and ultrafast optical pump/THz probe spectroscopy, we measure photoluminescence (PL) and THz-conductivity in perovskite micro-crystals and films. PL quenching and lifetime variations occur from local heterogeneity. Ultrafast THz-spectra measure sharp quantum transitions from excitonic Rydberg states, providing weakly bound excitons with a binding energy of similar to 13.5 meV at low temperatures. Ab-initio electronic structure calculations give a direct band gap of 1.64 eV, a dielectric constant of similar to 18, heavy electrons, and light holes, resulting in weakly bound excitons, consistent with the binding energies from the experiment. The complementary spectroscopy and simulations reveal fundamental insights into perovskite light-matter interactions.

}, doi = {10.1557/mrc.2018.114}, author = {Liu, Zhaoyu and Bhamu, K. C. and Luo, Liang and Shah, Satvik and Park, Joong-Mok and Cheng, Di and Long, Men and Biswas, Rana and Fungara, F. and Shiner, Ruth and Shiner, Joseph and Vela, Javier and Wang, Jigang} } @article {44618, title = {Specific stereoisomeric conformations determine the drug potency of cladosporin scaffold against malarial parasite}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {JUL}, pages = {5664-5678}, abstract = {

The dependence of drug potency on diastereomeric configurations is a key facet. Using a novel general divergent synthetic route for a three-chiral center antimalarial natural product cladosporin, we built its complete library of stereoisomers (cladologs) and assessed their inhibitory potential using parasite-, enzyme-, and structure-based assays. We show that potency is manifest via tetrahyropyran ring conformations that are housed in the ribose binding pocket of parasite lysyl tRNA synthetase (KRS). Strikingly, drug potency between top and worst enantiomers varied 500-fold, and structures of KRS-cladolog complexes reveal that alterations at C3 and C10 are detrimental to drug potency whereas changes at C3 are sensed by rotameric flipping of glutamate 332. Given that scores of antimalarial and anti-infective drugs contain chiral centers, this work provides a new foundation for focusing on inhibitor stereochemistry as a facet of antimicrobial drug development.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b00565}, author = {Das, Pronay and Babbar, Palak and Malhotra, Nipun and Sharma, Manmohan and Jachak, Goraknath R. and Gonnade, Rajesh G. and Shanmugam, Dhanasekaran and Harlos, Karl and Yogavel, Manickam and Sharma, Amit and Reddy, D. Srinivasa} } @article {44567, title = {Steering the ester and gamma-valerolactone selectivities in levulinic acid hydrogenation}, journal = {Energy Fuels}, volume = {32 }, year = {2018}, month = {JUN}, pages = {6887{\textendash}6900}, type = {Journal Article}, abstract = {

Both alkyl esters and γ-valerolactone (GVL) derived from levulinic acid (LA) have applications as renewable transportation fuel/fuel additives. Non-noble metal cobalt supported on La2O3 catalyst was developed for efficient cascade LA hydrogenation to GVL via esterification. LA hydrogenation in methanol alone yielded methyl levulinate (MeLA) as a major product along with 43\% of GVL. Interestingly, hydrogenation in water gave almost complete selectivity to GVL; nevertheless, it was associated with significant metal leaching. Suppression of metal leaching and enhancement in selectivity to GVL could be achieved by a methanol/water (95:5) solvent system. XRD analysis of La2O3-supported catalysts evidenced the characteristic peaks of a mixture of La2O3 and La(OH)3 phases. Basicity, as well as acidity, of the catalyst as determined by CO2 and NH3 TPD was due to these La2O3, Co{\textendash}La, and La(OH)3 phases which played an important role in directing the product selectivity in levulinic acid hydrogenation. At the low temperature of 160 {\textdegree}C, almost equal selectivities of MeLA (47\%) and GVL (43\%) were observed, while higher temperature (200 {\textdegree}C) favored further hydrogenation of MeLA to GVL (75\%). Similarly, with an increase in reaction time to 9 h, the GVL selectivity achieved was as high as 80\%. The selectivity to MeLA and GVL in LA hydrogenation over Co/La2O3 catalyst can be altered by suitably adjusting the reaction conditions.

}, doi = {10.1021/acs.energyfuels.8b01263}, author = {Kasar, Gayatri B. and Date, Nandan S. and Bhosale, P. N. and Rode, Chandrashekhar V.} } @article {44186, title = {Streptomyces sp metabolite(s) promotes Bax mediated intrinsic apoptosis and autophagy involving inhibition of mTOR pathway in cervical cancer cell lines}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {FEB}, pages = {2810}, type = {Article}, abstract = {

In cervical cancer, the association between HPV infection and dysregulation of phosphoinositide 3-kinase (PI3K)/protein kinase B (AKT)/mammalian target of rapamycin (mTOR) pathway (PI3K/AKT/mTOR pathway) places mTOR as an attractive therapeutic target. The failure of current treatment modalities in advanced stages of this cancer and drawbacks of already available mTOR inhibitors demand for novel drug candidates. In the present study we identified the presence of a mTOR inhibitor in an active fraction of the ethyl acetate extract of Streptomyces sp OA293. The metabolites(s) in the active fraction completely inhibited mTORC1 and thereby suppressed activation of both of its downstream targets, 4E-BP1 and P70S6k, in cervical cancer cells. In addition, it also stalled Akt activation via inhibition of mTORC2. The mechanism of mTOR inhibition detailed in our study overcomes significant drawbacks of well known mTOR inhibitors such as rapamycin and rapalogs. The active fraction induced autophagy and Bax mediated apoptosis suggesting that mTOR inhibition resulted in programmed cell death of cancer cells. The molecular weight determination of the components in active fraction confirmed the absence of any previously known natural mTOR inhibitor. This is the first report of complete mTOR complex inhibition by a product derived from microbial source.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-21249-5}, author = {Dan, Vipin Mohan and Muralikrishnan, Balaji and Sanawar, Rahul and Vinodh, J. S. and Burkul, Bhushan Bapusaheb and Srinivas, Kalanghad Puthankalam and Lekshmi, Asha and Pradeep, N. S. and Dastager, Syed G. and Santhakumari, B. and Santhoshkumar, Thankayyan R. and Kumar, R. Ajay and Pillai, Madhavan Radhakrishna} } @article {44564, title = {Structural elucidation of NASICON (Na3Al2P3O12) based glass electrolyte materials: effective influence of boron and gallium}, journal = {RSC Advances}, volume = {8}, year = {2018}, pages = {14422-14433}, type = {Journal Article}, abstract = {

Understanding the conductivity variations induced by compositional changes in sodium super ionic conducting (NASICON) glass materials is highly relevant for applications such as solid electrolytes for sodium (Na) ion batteries. In the research reported in this paper, NASICON-based NCAP glass (Na2.8Ca0.1Al2P3O12) was selected as the parent glass. The present study demonstrates the changes in the Na+ ion conductivity of NCAP bulk glass with the substitution of boron (NCABP: Na2.8Ca0.1Al2B0.5P2.7O12) and gallium (NCAGP: Na2.8Ca0.1Al2Ga0.5P2.7O12) for phosphorus and the resulting structural variations found in the glass network. For a detailed structural analysis of NCAP, NCABP and NCAGP glasses, micro-Raman and magic angle spinning-nuclear magnetic resonance (MAS-NMR) spectroscopic techniques (for 31P, 27Al, 23Na, 11B and 71Ga nuclei) were used. The Raman spectrum revealed that the NCAP glass structure is more analogous to the AlPO4 mesoporous glass structure. The 31P MAS-NMR spectrum illustrated that the NCAP glass structure consists of a high concentration of Q0 (3Al) units, followed by Q0 (2Al) units. The 27Al MAS-NMR spectrum indicates that alumina exists at five different sites, which include AlO4 units surrounded by AlO6 units, Al(OP)4, Al(OP)5, Al(OAl)6 and Al(OP)6, in the NCAP glass structure. The 31P, 27Al and 11B MAS-NMR spectra of the NCABP glass revealed the absence of B{\textendash}O{\textendash}Al linkages and the presence of B3{\textendash}O{\textendash}B4{\textendash}O{\textendash}P4 linkages which further leads to the formation of borate and borophosphate domains. The 71Ga MAS-NMR spectrum suggests that gallium cations in the NCAGP glass compete with the alumina cations and occupy four (GaO4), five (GaO5) and six (GaO6) coordinated sites. The Raman spectrum of NCAGP glass indicates that sodium cations have also been substituted by gallium cations in the NCAP glass structure. From impedance analysis, the dc conductivity of the NCAP glass (\~{}3.13 {\texttimes} 10-8 S cm-1) is slightly decreased with the substitution of gallium (\~{}2.27 {\texttimes} 10-8 S cm-1) but considerably decreased with the substitution of boron (\~{}1.46 {\texttimes} 10-8 S cm-1). The variation in the conductivity values are described based on the structural changes of NCAP glass with the substitution of gallium and boron.

}, issn = {20462069}, doi = {10.1039/C8RA01676C}, author = {Allu, Amarnath R.}, editor = {Balaji, Sathravada} } @article {45556, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L.}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {24}, year = {2018}, month = {NOV}, pages = {1-9}, type = {Article}, abstract = {Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8{\r A} resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum. Abbreviations BApNA Nα-Benzoyl-L-arginine 4-nitroanilide BPT bovine pancreatic trypsin CaTI2 Cicer arietinum L trypsin inhibitor 2 DrTI Delonix regia Trypsin inhibitor EcTI Enterolobium contortisiliquum trypsin inhibitor ETI Erythrina caffra trypsin inhibitor KTI Kunitz type inhibitor STI soybean trypsin inhibitor TKI Tamarindus indica Kunitz inhibitor Communicated By Ramaswamy H. Sarma.}, author = {Bendre, A.D. and Suresh, C.G. and Shanmugam, D. and Ramasamy, S.} } @article {44628, title = {Studies on CL-20/HMX (2:1) cocrystal: a new preparation method and structural and thermokinetic analysis}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {JUL}, pages = {3781-3793}, abstract = {

A new preparation method for CL-20/HMX (2:1) cocrystal has been established at the laboratory level that is amenable for scale up. Solvent evaporation from a saturated solution of the stoichiometric mixture in the presence of a high boiling antisolvent, comparatively a very efficient and cheaper method, yielded pure cocrystals. Cocrystals were well characterized by spectroscopic, thermoanalytical tools, X-ray diffraction, and microscopic techniques. A correlation of percentage of cocrystal formation with evaporation rate has been obtained through quantitative analysis using Raman spectrometry. An evaporation rate of \<1 mL/min consistently produced pure cocrystal confirmed by Raman and powder X-ray diffraction analysis. Thermokinetic analysis suggests the cocrystal to be more stable than CL-20 with an energy of activation of 65 kcal/mol, higher than CL-20 but inferior to HMX. Significant augmentation in the values of k and A over CL-20 justified a faster decomposition rate. Enhanced insensitivity toward friction and impact forces and higher measured velocity of detonation indicate improved performance on incorporation into high explosive formulations.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00015}, author = {Ghosh, Mrinal and Sikder, Arun K. and Banerjee, Shaibal and Gonnade, Rajesh G.} } @article {45525, title = {Study of photoelectrochemical conductivity mechanism and electrochemical impedance spectroscopy of bulk CuInTe2 {\textendash} Electrolyte interface}, journal = {Surfaces and interfaces}, volume = {12}, year = {2018}, month = {SEP }, pages = {202-212}, type = {Article}, abstract = {CuInTe2 (CIT) thin films were electrochemically deposited in an aqueous electrolyte on fluorine doped tin oxide (FTO) coated glass substrates for potentials ranging from -0.6 V to -0.9 V at pH 4. Films were annealed at 400 {\textdegree}C for 15 min in air ambient. Both as-deposited and annealed layers were characterized by various characterization techniques. The conductivity type of the CIT layers was studied by photoelectrochemical (PEC) response and solid{\textendash}electrolyte interface by impedance spectroscopy. As-deposited samples confirmed amorphous nature of CIT in contrast to that of polycrystalline films obtained upon annealing. Three prominent reflections (1 1 2), (2 2 0)/(2 0 4) and (3 1 2)/(1 1 6) of chalcopyrite CIT were obtained upon annealing. The optical band gap values \~{}0.90 eV and 1.08 eV and \~{}0.88 eV and 1.01 eV were estimated for as-deposited and annealed CIT layers deposited at -0.7 V and -0.8 V respectively. The most prominent A1 mode observed at 123 cm-1 in the Raman spectra of chalcopyrite CIT was shifted towards lower wavelengths due to the development of tensile strain. Very compact, well adhesive and void free globular layers were deposited at pH 4. The indium content was found to be increased with increasing the deposition potential which agrees well with the overpotential deposition of indium. Photoelectrochemical (PEC) study confirms the growth of p-type CIT layers. The negative resistance at higher frequency domain (3 MHz to 10 kHz) from electrochemical impedance spectroscopy (EIS) confirms the power/energy giving nature of CIT/electrolyte interface at higher frequency and diffusion mechanism of ionic species dominate at lower frequency region}, issn = { 2468-0230}, doi = {10.1016/j.surfin.2018.05.012}, author = {Lakhe, M. G. and Rohom, A. B. and Londhe, P. U. and Bhand, G. R. and Chaure, N. B.} } @article {44188, title = {Superior HIV-1 TAR binders with conformationally constrained R52 arginine mimics in the Tat(48-57) peptide}, journal = {Chemmedchem}, volume = {13}, year = {2018}, month = {FEB }, pages = {220-226}, type = {Article}, abstract = {

We report a 100-fold increase in binding affinity of the Tat(48-57) peptide to HIV-1 transcriptional activator-responsive element (TAR) RNA by replacing Arg52, an essential and critical residue for Tat{\textquoteright}s specific binding, with (2S,4S)-4-guanidinoproline. The resulting Tat1M peptide is a far superior binder than Tat1M, a peptide containing another conformationally constrained arginine mimic, (2S,4S)-4-amino-N-(3-guanidinopropyl)proline, or even the control Tat peptide (CtrlTat) itself. Our observations are supported by circular dichroism (CD), isothermal titration calorimetry (ITC), gel electrophoresis and UV spectroscopy studies. Molecular dynamics simulations suggest increased interactions between the more compact Tat1M and TAR RNA, relative to CtrlTat. The CD signature of the RNA itself remains largely unchanged upon binding of the peptides. The Tat mimetics further have better cell uptake properties than the control Tat peptide, thus increasing their potential application as specific TAR-binding molecules.

}, keywords = {antiviral agents, arginine mimics, RNA, Tat peptide analogues, Tat-TAR binding}, issn = {1860-7179}, doi = {10.1002/cmdc.201700653}, author = {Bhosle, Govind S. and Kharche, Shalmali and Kumar, Santosh and Sengupta, Durba and Maiti, Souvik and Fernandes, Moneesha} } @article {44609, title = {Superprotonic conductivity in flexible porous covalent organic framework membranes}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {AUG}, pages = {10894-10898}, type = {Article}, abstract = {

Poor mechanical stability of the polymer electrolyte membranes (PEMs) remains one of the bottlenecks towards improving the performance of the proton exchange membrane (PEM) fuel cells. The present work proposes a unique way to utilize crystalline covalent organic frameworks (COFs) as a self-standing, highly flexible membrane to further boost the mechanical stability of the material without compromising its innate structural characteristics. The as-synthesized p-toluene sulfonic acid loaded covalent organic framework membranes (COFMs) showing the highest proton conductivity amongst all crystalline porous organic polymeric materials reported till date, as high as 7.8 x 10-2 S cm-1, have been further tested under real PEM operating conditions to ascertain their practical utilization as proton exchange membranes. Attainment of 24 mW cm-2 power density, which is the highest among COFs and MOFs, highlights the possibilityof using a COF membrane over the other state-of-the-art crystalline porous polymeric materials reported to date.

}, doi = {10.1002/ange.201804753}, author = {Banerjee, Rahul and Sasmal, Himadri Sekhar and Harshitha, B. A. and Bhange, Siddheshwar and Karak, Suvendu and Halder, Arjun and Kurungot, Sreekumar} } @article {44604, title = {Supramolecular reassembly of self-exfoliated ionic covalent organic nanosheets for label-free detection of double-stranded DNA}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {JUL }, pages = {8443-8447}, abstract = {

Ionic covalent organic nanosheets (iCONs), a member of the two-dimensional (2D) nanomaterials family, offer a unique functional platform for a wide range of applications. Herein, we explore the potential of an ethidium bromide (EB)-based covalent organic framework (EB-TFP) that self-exfoliates in water resulting in 2D ionic covalent organic nanosheets (EB-TFP-iCONs) for the selective detection of double-stranded DNA (dsDNA). In an aqueous medium, the self-exfoliated EB-TFP-iCONs reassemble in the presence of dsDNA resulting in hybrid EB-TFP-iCONs-DNA crystalline nanosheets with enhanced fluorescence at 600 nm. Detailed steady-state and time-resolved emission studies revealed that the reassembly phenomenon was highly selective for dsDNA when compared to single-stranded DNA (ssDNA), which allowed us to use the EB-TFP-iCONs as a 2D fluorescent platform for the label-free detection of complementary DNA strands.

}, keywords = {Covalent organic framework, DNA, ionic assembly, ionic covalent organic nanosheets, label-free detection}, issn = {1433-7851}, doi = {10.1002/anie.201801352}, author = {Mal, Arindam and Mishra, Rakesh K. and Praveen, Vakayil K. and Khayum, M. Abdul and Banerjee, Rahul and Ajayaghosh, Ayyappanpillai} } @article {44358, title = {Syntheses and single crystal X-ray diffraction analysis of five isostructural 2D MOCCs}, journal = {Polyhedron}, volume = {147}, year = {2018}, month = {JUN}, pages = {49-54}, type = {Article}, abstract = {Five two-dimensional metal-organic coordination compounds (MOCCs) have been solvothermally synthesized by the combination of 2-aminonicotinic acid (ANA) and transition metal ions, viz. Co(II), Ni (II), Cu(Il), Zn(II) and Cd(II), in water-ethanol mixed solvent. They are formulated as [CoC6H5N2O2)(2)], (Co-ANA); [Ni(C6H5N2O2)(2)], (Ni-ANA) [Cu(C6H5N2O2)(2)], (Cu-ANA), [Zn(C6H5N2O2)(2)], (Zn-ANA) and [Cd(C6H5N2O2)(2)], (Cd-ANA). Single crystal X-ray diffraction studies for the complexes Co-ANA, Ni-ANA and Cd-ANA have also been carried out. These three complexes crystallize in the tetragonal crystal system with the space group P4(1)2(1)2. The metal ions in all these complexes have an octahedral coordination environment. The six coordinations are satisfied by two pyridine N-atoms from two different ANA ligands and four oxygen atoms from two chelating carboxylate groups of another two ANA ligands. The topological motif of the coordination network is defined as 2-periodic net or square lattice (sql). These complexes were further characterized by elemental, FT-IR spectral, thermal and powder X-ray diffraction analyses. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.poly.2018.02.031}, author = {Singh, Sandeep K. and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {45366, title = {Synthesis and anticancer activity of conformationally constrained Smac mimetics containing pseudo beta turns}, journal = {Tetrahedron Letters }, volume = {59}, year = {2018}, month = {SEP}, pages = {3473-3476}, type = {Article}, abstract = {Herein, we report synthesis and in vitro anticancer activity of conformationally constrained Smac mimetics containing reverse turn inducing motifs "Ant-Pro" and "sAnt-Pro". The synthesis of Smac analogs with diverse hydrophobic groups at the C-terminus was carried out using solution phase peptide synthesis. The synthesis of Ant-Pro containing analogs 3a-j was carried out by ring opening of benzoxazinones 7a-c, whereas, their sulfonamide counterparts 4a-h were synthesized by using routine acid-amine coupling reaction. In vitro anticancer studies against breast cancer cell line MDA-MB-231 revealed that some of the new analogs had better anticancer activity than the standard AVPI Smac tetrapeptide. (C) 2018 Published by Elsevier Ltd.}, doi = {10.1016/j.tetlet.2018.08.016}, author = {Baravkar, Sachin B. and Wagh, Mahendra A. and Paul, Debasish and Santra, Manas and Sanjayan, Gangadhar J.} } @article {45549, title = {Synthesis and anticancer studies of michael adducts and heck arylation products of sesquiterpene lactones, zaluzanin D and zaluzanin C from vernonia arborea}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38289-38304}, type = {Article}, abstract = {Sesquiterpene lactones containing α-methylene-γ-lactones, zaluzanin D 1 and zaluzanin C 2 were isolated from the leaves of Vernonia arborea. Several diverse Michael adducts (3{\textendash}22) and Heck arylation analogs (23{\textendash}34) of 1 have been synthesized by reacting with various amines and aryl iodides, respectively and were assayed for their in vitro anticancer activities against human breast cancer cell lines MCF7 and MDA-MB-231. Among all the synthesized analogs, Michael adducts 9 and 10 showed better anticancer activities as compared to 1. However, among these compounds, only 10 has minimal cytotoxic effect on normal breast epithelial MCF10A cells. Our detailed mechanistic studies reveal that compounds 9 and 10 execute their antiproliferative activity through induction of apoptosis and thereby inhibit the cancer cells proliferation and compound 10 could be a lead compound for designing potential anti-cancer compound.}, doi = {10.1039/c8ra06238b}, author = {Valkute, T.R. and Aratikatla, E.K. and Gupta, N.A. and Ganga, S. and Santra, M.K. and Bhattacharya, A.K.} } @article {44509, title = {Synthesis and biological evaluation of some bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline and its amide derivatives as potential antitubercular agents}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {FEB }, pages = {22}, type = {Journal Article}, abstract = {

In the present investigation, a series of bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline analogues were synthesized and characterized by IR, NMR (1H and 13C) and mass spectra. All newly synthesized 15 compounds were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra in both active and dormant state using an established XTT Reduction Menadione assay (XRMA). The titled compounds exhibited minimum inhibitory concentration (MIC90) ranging from 0.05 to \>30 (μg/mL). The potent four compounds were further evaluated in THP-1 infection model where they demonstrated significant antitubercular activity. All the ex vivo active were further evaluated for cytotoxic activity against THP-1, MCK7 and HeLa cell lines in order to check selectivity index. All compounds were further screened against four different bacteria to assess their selectivity towards MTB. These derivatives could be considered as a precursor structure for further design of antituberculosis agent.

}, keywords = {4-dimethylphenylthio)phenyl] aniline, antituberculosis activity, Cytotoxicity, [2-(2}, issn = {9743626}, doi = {10.1007/s12039-018-1424-5}, author = {Patil, Yogesh and Shingare, Ramesh} } @article {44650, title = {Synthesis and biological evaluation of some new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine derivatives as potential antitubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {AUG}, pages = {e1800040}, abstract = {

A series of new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidines 8a-l were synthesized and characterized by IR, NMR (H-1 and C-13), and mass spectral analysis. The newly synthesized compounds 8a-l were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra using an established XTT reduction menadione assay (XRMA). The title compounds exhibited minimum inhibitory concentrations (MIC90) ranging from 0.09 to \>30g/mL. Five compounds (8c, 8i-l) were further confirmed for their dose-dependent effect against MTB. These compounds were evaluated in the THP-1 infection model, where 8i (MIC90=0.35g/mL), 8j (MIC90=1.17g/mL), 8k (MIC90=2.38g/mL), and 8l (MIC90=1.17g/mL) demonstrated significant antitubercular activity. All the ex vivo active compounds showed insignificant cytotoxicity against the human cancer cell lines, HeLa, MCF-7, and THP-1. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies in the active site of the sterol 14alpha-demethylase (CYP51) enzyme revealed a similar binding mode to the native ligand in the crystal structure, thereby helping to understand the ligand-protein interactions and to establish a structural basis for inhibition of MTB. The results suggest novel pharmacophores as selective and specific inhibitors against MTB that can be explored further to synthesize lead compounds against tuberculosis. In summary, the results clearly indicate the identification of some novel, selective, and specific inhibitors against MTB that can be explored further for potential antitubercular drugs.

}, keywords = {2-e]tetrazolo[1, 5-c]pyrimidine, Antituberculosis, Cytotoxicity, Molecular docking, tricyclic pyrrolo[3}, issn = {0365-6233}, doi = {10.1002/ardp.201800040}, author = {Patil, Yogesh and Shingare, Ramesh and Choudhari, Amit and Borkute, Rachana and Sarkar, Dhiman and Madje, Balaji R.} } @article {44507, title = {Synthesis of 4-difluoromethylquinolines by NHC-catalyzed umpolung of imines}, journal = { Organic Letters}, volume = {20}, year = {2018}, month = {JAN}, pages = {1086{\textendash}1089}, type = {Journal Article}, abstract = {The N-heterocyclic carbene (NHC)-catalyzed umpolung of aldimines for the synthesis of 4-difluoromethylquinoline derivatives is reported. In the presence of NHCs, the intramolecular cyclization of aldimines bearing a moderately electron-poor double bond due to the presence of the -CF3 group likely proceeds via the intermediacy of the aza-Breslow intermediate. The key to the success of this aza-Stetter type transformation is the NHC generated from the bicyclic triazolium salt using DBU as the base.}, issn = {15237060}, doi = {10.1021/acs.orglett.7b04055}, author = {Patra, Atanu}, editor = {Gelat, Fabien} } @article {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 {45496, title = {Synthetic control on structure/dimensionality and photophysical properties of low dimensional organic lead bromide perovskite}, journal = { Inorganic chemistry}, volume = {57}, year = {2018}, month = {OCT }, pages = {13443-13452}, type = {Article }, abstract = {Low dimensional lead halide perovskites have attracted huge research interest due to their structural diversity and remarkable photophysical properties. The ability to controllably change dimensionality/structure of perovskites remains highly challenging. Here, we report synthetic control on structure/dimensionality of ethylenediammonium (ED) lead bromide perovskite from a two dimensionally networked (2DN) sheet to a one dimensionally networked (1DN) chain structure. Intercalation of solvent molecules into the perovskite plays a crucial role in directing the final dimensionality/structure. This change in dimensionality reflects strongly in the observed differences in photophysical properties. Upon UV excitation, the 1DN structure emits white light due to easily formed {\textquotedblleft}self-trapped{\textquotedblright} excitons. 2DN perovskites show band edge blue emission (\~{}410 nm). Interestingly, Mn2+ incorporated 2DN perovskites show a highly red-shifted Mn2+ emission peak at \~{}670 nm. Such a long wavelength Mn2+ emission peak is unprecedented in the perovskite family. This report highlights the synthetic ability to control the dimensionality/structure of perovskite and consequently its photophysical properties.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b02042}, author = {Haris, Muhammed P. U. and Bakthavatsalam, Rangarajan and Shaikh, Samir and Kore, Bhushan P. and Moghe, Dhanashree and Gonnade, Rajesh G. and Sarma, D. D. and Kabra, Dinesh and Kundu, Janardan} } @article {44494, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules}, journal = {mSphere}, volume = {3}, year = {2018}, month = {JAN}, pages = { e00534-17}, type = {Journal Article}, abstract = {The Malaria Box collection includes 400 chemically diverse small molecules with documented potency against malaria parasite growth, but the underlying modes of action are largely unknown. Using complementary phenotypic screens against Plasmodium falciparum and Toxoplasma gondii, we report phenotype-specific hits based on inhibition of overall parasite growth, apicoplast segregation, and egress or host invasion, providing hitherto unavailable insights into the possible mechanisms affected. First, the Malaria Box library was screened against tachyzoite stage T. gondii and the half-maximal effective concentrations (EC50s) of molecules showing >=80\% growth inhibition at 10 {\textmu}M were determined. Comparison of the EC50s for T. gondii and P. falciparum identified a subset of 24 molecules with nanomolar potency against both parasites. Thirty molecules that failed to induce acute growth inhibition in T. gondii tachyzoites in a 2-day assay caused delayed parasite death upon extended exposure, with at least three molecules interfering with apicoplast segregation during daughter cell formation. Using flow cytometry and microscopy-based examinations, we prioritized 26 molecules with the potential to inhibit host cell egress/invasion during asexual developmental stages of P. falciparum. None of the inhibitors affected digestive vacuole integrity, ruling out a mechanism mediated by broadly specific protease inhibitor activity. Interestingly, five of the plasmodial egress inhibitors inhibited ionophore-induced egress of T. gondii tachyzoites. These findings highlight the advantage of comparative and targeted phenotypic screens in related species as a means to identify lead molecules with a conserved mode of action. Further work on target identification and mechanism analysis will facilitate the development of antiparasitic compounds with cross-species efficacy.}, issn = {23795042}, doi = {10.1128/mSphere.00534-17}, author = {Subramanian, Gowtham}, editor = {Belekar, Meenakshi A.} } @article {44486, title = {Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2}, journal = {AIP Conference Proceedings}, volume = {1953}, year = {2018}, month = {MAY}, type = {Journal Article}, abstract = {Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (ӨD), Grǘneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grǘneisen parameter instead of temperature. Debye temperature and Grǘneisen parameter both remains almost constant for the temperature range (0-300K) while Grǘneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.}, issn = {0094243X}, doi = {10.1063/1.5033167}, author = {Bhamu, K. C.} } @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 {44475, title = {{\textquoteright}TIME{\textquoteright}: A web application for obtaining Insights into Microbial Ecology using longitudinal microbiome data}, journal = {Frontiers in Microbiology}, volume = {9}, year = {2018}, month = {JAN}, abstract = {

Realization of the importance of microbiome studies, coupled with the decreasing sequencing cost, has led to the exponential growth of microbiome data. A number of these microbiome studies have focused on understanding changes in the microbial community over time. Such longitudinal microbiome studies have the potential to offer unique insights pertaining to the microbial social networks as well as their responses to perturbations. In this communication, we introduce a web based framework called {\textquoteleft}TIME{\textquoteright} (Temporal Insights into Microbial Ecology{\textquoteright}), developed specifically to obtain meaningful insights from microbiome time series data. The TIME web-server is designed to accept a wide range of popular formats as input with options to preprocess and filter the data. Multiple samples, defined by a series of longitudinal time points along with their metadata information, can be compared in order to interactively visualize the temporal variations. In addition to standard microbiome data analytics, the web server implements popular time series analysis methods like Dynamic time warping, Granger causality and Dickey Fuller test to generate interactive layouts for facilitating easy biological inferences. Apart from this, a new metric for comparing metagenomic time series data has been introduced to effectively visualize the similarities/differences in the trends of the resident microbial groups. Augmenting the visualizations with the stationarity information pertaining to the microbial groups is utilized to predict the microbial competition as well as community structure. Additionally, the {\textquoteleft}causality graph analysis{\textquoteright} module incorporated in TIME allows predicting taxa that might have a higher influence on community structure in different conditions. TIME also allows users to easily identify potential taxonomic markers from a longitudinal microbiome analysis. We illustrate the utility of the web-server features on a few published time series microbiome data and demonstrate the ease with which it can be used to perform complex analysis.

}, issn = {1664302X}, doi = {10.3389/fmicb.2018.00036}, author = {Baksi, Krishanu D.}, editor = {Kuntal, Bhusan K.} } @article {45356, title = {Total synthesis of the potent anti-inflammatory natural product solomonamide A along with structural revision and biological activity evaluation}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {DEC}, pages = {9138-9142}, type = {Article }, abstract = {Herein, we report the total synthesis of solomonamide A along with its structural revision for the first time. The natural product possesses very potent anti-inflammatory activity, and it contains a macrocyclic peptide having four consecutive stereocenters on an unnatural amino acid component. The key features in the present synthesis include the application of an Evans aldol reaction, ligand-free Heck macrocyclization and chemoselective oxidations. The challenging task of fixing the stereochemistry of OH at the C5-position was accomplished with the help of DFT calculations, applying a quantum-mechanical (QM)/NMR combined approach. Biological evaluation in a mouse paw edema model revealed that a low dose (0.3 mg kg(-1)) of the synthesized solomonamide A showed 74\% reduction at 6 h, which was comparable to a high dose (10 mg kg(-1)) standard drug dexamethasone effect (75\% at 6 h). Thus, we further confirmed the revised structure of solomonamide A.}, issn = {1477-0520}, doi = { 10.1039/c8ob02713g}, author = {Jachak, Gorakhnath R. and Athawale, Paresh R. and Agarwal, Heena and Barthwal, Manoj Kumar and Lauro, Gianluigi and Bifulco, Giuseppe and Reddy, D. Srinivasa} } @article {44472, title = {Transforming covalent organic framework into thin-film composite membranes for hydrocarbon recovery}, journal = {Separation Science and Technology }, volume = {53}, year = {2018}, month = {APR }, pages = {1752-1759}, type = {Journal Article}, abstract = {We, for the first time, employed chemically stable covalent organic framework (COF) (TpPa-1) as a transport-active phase within the polymer (styrene-butadiene rubber; SBR) matrix to make TpPa-1@SBR thin-film composite (TFC) membranes. Three composite membranes, viz., TpPa-1(30)@SBR, TpPa-1(50)@SBR, and TpPa-1(70)@SBR have been prepared with varying COF content. These membranes were characterized for gas permeance and results were compared with the pristine SBR-based TFC membrane. The fully organic nature of chemically stable COF offered good compatibility with the host polymer matrix (SBR) and resulted into flexible TFC membranes even at 70\% of COF loading; compared to the other porous material (MOFs or Inorganic fillers), it is appreciable.}, keywords = {Covalent organic framework, hydrocarbon recovery, propylene{\textendash}propane, styrene-butadiene rubber, thin film composite}, issn = {1496395}, doi = {10.1080/01496395.2018.1443136}, author = {Biswal, Bishnu P.}, editor = {Kunjattu, Shebeeb H.} } @article {44463, title = {Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera}, journal = {Insect Biochemistry and Molecular Biology }, volume = {95}, year = {2018}, month = {APR }, pages = {17-25}, type = {Journal Article}, abstract = {

Potato type II protease inhibitors (Pin-II PIs) impede the growth of lepidopteran insects by inhibiting serine protease-like enzymes in the larval gut. The three amino acid reactive centre loop (RCL) of these proteinaceous inhibitors is crucial for protease binding and is conserved across the Pin-II family. However, the molecular mechanism and inhibitory potential of the RCL tripeptides in isolation of the native protein has remained elusive. In this study, six peptides corresponding to the RCLs of the predominant Pin-II PIs were identified, synthesized and evaluated for in vitro and in vivo inhibitory activity against serine proteases of the polyphagous insect, Helicoverpa armigera. RCL peptides with sequences PRN, PRY and TRE were found to be potent inhibitors that adversely affected the growth and development of H. armigera. The binding mechanism and differential affinity of the RCL peptides with serine proteases was delineated by crystal structures of complexes of the RCL peptides with trypsin. Residues P1 and P2 of the inhibitors play a crucial role in the interaction and specificity of these inhibitors. Important features of RCL peptides like higher inhibition of insect proteases, enhanced efficacy at alkaline gut pH, longer retention and high stability in insect gut make them suitable molecules for the development of sustainable pest management strategies for crop protection.

}, keywords = {Helicoverpa armigera, Protease, protease inhibitor, Reactive centre loop peptides}, issn = {9651748}, doi = {10.1016/j.ibmb.2018.02.001}, author = {Saikhedkar, Nidhi S. and Joshi, Rakesh S. and Bhoite, Ashwini S. and Mohandasan, Radhika and Yadav, Amit Kumar and Giri, Ashok P.} } @article {44450, title = {Tuning of terahertz resonances of pyridyl benzamide derivatives by electronegative atom substitution}, journal = {Journal of Infrared, Millimeter, and Terahertz Waves}, volume = {39}, year = {2018}, month = {JUL}, pages = {636{\textendash}650}, type = {Journal Article}, abstract = {

N-(pyridin-2-yl) benzamide (Ph2AP)-based organic molecules with prominent terahertz (THz) signatures (less than 5 THz) have been synthesized. The THz resonances are tuned by substituting the most electronegative atom, fluorine, at ortho (2F-Ph2AP), meta (3F-Ph2AP), and para (4F-Ph2AP) positions in a Ph2AP molecule. Substitution of fluorine helps in varying the charge distribution of the atoms forming hydrogen bond and hence strength of the hydrogen bond is varied which helps in tuning the THz resonances. The tuning of lower THz resonances of 2F-Ph2AP, 3F-Ph2AP, and 4F-Ph2AP has been explained in terms of compliance constant (relaxed force constant). Four-molecule cluster simulations have been carried out using Gaussian09 software to calculate the compliance constant of the hydrogen bonds. Crystal structure simulations of the above molecules using CRYSTAL14 software have been carried out to understand the origin of THz resonances. It has been observed that THz resonances are shifted to higher frequencies with stronger hydrogen bonds. The study shows that 3F-Ph2AP and 4F-Ph2AP have higher hydrogen bond strength and hence the THz resonances originating due to stretching of intermolecular hydrogen bonds have been shifted to higher frequencies compared to 2F-Ph2AP. The methodology presented here will help in designing novel organic molecules by substituting various electronegative atoms in order to achieve prominent THz resonances.

}, keywords = {Compliance constant, Density functional theory, Ph2AP molecule, Terahertz spectroscopy}, issn = {18666892}, doi = {10.1007/s10762-018-0500-8}, author = {Dash, Jyotirmayee}, editor = {Ray, Shaumik} } @article {44447, title = {Tuning the dimensionality of layered Srn+1Tin-xNixO3n+1 perovskite structures for improved activity in syngas generation}, journal = {Journal of Catalysis}, volume = {360}, year = {2018}, month = {APR }, pages = {27-39}, type = {Journal Article}, abstract = {

Interest in perovskite type oxides is growing due to their versatile catalytic applications. A series of Ruddlesden-Popper (RP) type layered perovskite oxides Srn+1Tin-xNixO3n+1 were prepared and evaluated for their catalytic activity in steam reforming, CO2 reforming and bi-reforming of methane. These materials, prepared through citrate gel method were characterized to understand their structure and Ni reducibility. Substitution of Ni in RP phases was established through refinement of XRD powder pattern. During methane reforming, the catalytic activity increased with the order of RP phase of SrTi1-xNixO3-δ (n = $\infty$). TPR results show variation in Ni reducibility with the order of RP phase, while TPD-O2 study helped to estimate oxygen vacancies. These vacancies seem to influence catalytic activity during methane reforming. Transient pulse experiments show that CO2 dissociates over oxygen vacancies to give CO and oxygen, with later replenishing lattice oxygen in SrTi0.8Ni0.2O3-δ (n = $\infty$) phases. Highly labile oxygen vacancies generated in the bulk of SrTi0.8Ni0.2O3-δ must be migrating to the surface, helping in the removal of coke formed. Characterization of catalysts after reaction helped in better understanding of coke precursors.

}, keywords = {Dry reforming, NickelSyngas, Ruddlesden-Popper (RP) perovskites, Steam reforming}, issn = {219517}, doi = {10.1016/j.jcat.2018.01.015}, author = {Dama, Srikanth}, editor = {Ghodke, Seema} } @article {45456, title = {Ultrasound assisted synthesis of 4-(Benzyloxy)-N-(3-chloro-2-(substitutedphenyl)-4-oxoazetidin-1-yl) benzamide as challenging anti-tubercular scaffold}, journal = { Molecules}, volume = {23}, year = {2018}, month = {AUG}, pages = {Article No: 1945}, type = {Article}, abstract = {

A series of ten novel derivatives of 4-(benzyloxy)-N-(3-chloro-2-(substituted phenyl)-4-oxoazetidin-1-yl) benzamide 6a-j were synthesized in good yield from the key compound 4-(benzyloxy)-N-(substituted benzylidene) benzo hydrazide, called Schiff {\textquoteleft}s bases 5a-j, by Staudinger reaction ([2 + 2] ketene-imine cycloaddition reaction) with chloro acetyl chloride in the presence of catalyst tri ethylamine and solvent dimethyl formamide (DMF), by using ultra-sonication as one of the green chemistry tools. All the synthesised compounds were evaluated for in vitro anti-tubercular activity against Mycobacterium tuberculosis (MTB) and most of them showed promising activity with an IC50 value of less than 1 mu g/mL. To establish the safety, all the synthesized compounds were further tested for cytotoxicity against the human cancer cell line HeLa and all 6a-j compounds were found to be non-cytotoxic in nature. The molecular docking study was carried out with essential enzyme InhA (FabI/ENR) of Mycobacterium responsible for cell wall synthesis which suggests that 6a and 6e are the most active derivatives of the series. The theoretical evaluation of cell permeability based on Lipinski{\textquoteright}s rule of five has helped to rationalize the biological results and hence the synthesized azetidinone derivatives 6a-j were also analyzed for physicochemical evaluation that is, absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties and the results showed that all the derivatives could comply with essential features required for a potential lead in the anti-tubercular drug discovery process.

}, keywords = {ADMET study, anti-tubercular screening, azetidinone, cytotoxicity study, green chemistry, Molecular docking, ultra-sonication}, issn = {1420-3049}, doi = {10.3390/molecules23081945}, author = {Nimbalkar, Urja D. and Seijas, Julio A. and Borkute, Rachna and Damale, Manoj G. and Sangshetti, Jaiprakash N. and Sarkar, Dhiman and Nikalje, Anna Pratima G.} } @article {44375, title = {Ultrastable imine-based covalent organic frameworks for sulfuric acid recovery: an effect of interlayer hydrogen bonding}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {MAY}, pages = {5797-5802}, abstract = {A rapid and scalable synthesis of six new imine-linked highly porous and crystalline COFs is presented that feature exceptionally high chemical stability in harsh environments including conc. H2SO4 (18M), conc. HCl (12M), and NaOH (9M). This is because of the presence of strong interlayer C-H center dot center dot center dot N hydrogen bonding among the individual layers, which provides significant steric hindrance and a hydrophobic environment around the imine (-C=N-) bonds, thus preventing their hydrolysis in such an abrasive environment. These COFs were further converted into porous, crystalline, self-standing, and crack-free COF membranes (COFMs) with extremely high chemical stability for their potential applications for sulfuric acid recovery. The as-synthesized COFMs exhibit unprecedented permeance for acetonitrile (280 Lm(-2) h(-1) bar(-1)) and acetone (260 Lm(-2) h(-1) bar(-1)).}, doi = {10.1002/anie.201802220}, author = {Halder, Arjun and Karak, Suvendu and Addicoat, Matthew and Bera, Saibal and Chakraborty, Amit and Kunjattu, Shebeeb H. and Pachfule, Pradip and Heine, Thomas and Banerjee, Rahul} } @article {45429, title = {Understanding conformational dynamics of complex lipid mixtures relevant to biology}, journal = {Journal of membrane biology}, volume = {251}, year = {2018}, month = {DEC}, pages = {609-631}, type = {Article}, abstract = {This is a perspective article entitled "Frontiers in computational biophysics: understanding conformational dynamics of complex lipid mixtures relevant to biology" which is following a CECAM meeting with the same name.}, issn = {0022-2631 }, doi = {10.1007/s00232-018-0050-y}, author = {Friedman, Ran and Khalid, Syma and Aponte-Santamaria, Camilo and Arutyunova, Elena and Becker, Marlon and Boyd, Kevin J. and Christensen, Mikkel and Coimbra, Joao T. S. and Concilio, Simona and Daday, Csaba and van Eerden, Floris J. and Fernandes, Pedro A. and Graeter, Frauke and Hakobyan, Davit and Heuer, Andreas and Karathanou, Konstantina and Keller, Fabian and Lemieux, M. Joanne and Marrink, Siewert J. and May, Eric R. and Mazumdar, Antara and Naftalin, Richard and Pickholz, Monica and Piotto, Stefano and Pohl, Peter and Quinn, Peter and Ramos, Maria J. and Schiott, Birgit and Sengupta, Durba and Sessa, Lucia and Vanni, Stefano and Zeppelin, Talia and Zoni, Valeria and Bondar, Ana-Nicoleta and Domene, Carmen} } @article {44352, title = {Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {98-108}, type = {Article}, abstract = {Compared to H2SO4, Bronsted acidic ionic liquid (BAIL, [C3SO3HMIM][HSO4]) catalyzed depolymerization of lignin yielded higher concentration of low molecular weight products under mild conditions (120 degrees C) as proven by GC and GC-MS. To comprehend this disparity in catalytic activity among H2SO4 and BAIL (at similar H+ concentration), experimental techniques [1D(H-1) NMR, 2D(N-15/H-1 HMBC) NMR and RAMAN] have been employed. Based on these studies, it has been proven that the transfer of electron density from substrate to the electron deficient imidazolium ring via formation of hydrogen bond between -OH/OCH3 (substrate) and -N1C2H2N3-(cation) is possible, while the anion plays an important role. Further, density functional theory (DFT) calculations also corroborated this fact by showing a change in the bond angle and decrease in bond length (C-2-H-2 in imidazole), due to the presence of weak and strong hydrogen bonding between the substrate and IL.}, doi = {10.1016/j.cattod.2017.09.050}, author = {Singh, Sandip Kumar and Banerjee, Subhrashis and Vanka, Kumar and Dhepe, Paresh Laxmikant} } @article {44384, title = {Unravelling the nucleophilicity of buten tides for 1,6-conjugate addition to p-quinone methides: a direct access to diversely substituted butenolide-derived diarylmethanes}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAY}, pages = {2787-2791}, abstract = {A Lewis acid catalyzed regioselective C-C bond is constructed through beta-addition of deconjugated butenolides with p-quinone methides in a 1,6-conjugate addition manner. Interestingly, Lewis acid catalyzed vinylogous Mukaiyama-Michael reaction of silyloxyfurans with p-QMs proceeds selectively through the alpha or gamma position exclusively. The reaction is mild with broad substrate scope, thus allowing easy access to a wide range of bis-arylated alpha-/beta-/gamma-substituted butenolides.}, doi = {10.1021/acs.orglett.8b00745}, author = {Sharma, Brijesh M. and Shinde, Dinesh R. and Jain, Ruchi and Begari, Eeshwaraiah and Satbhaiya, Shruti and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44623, title = {Visible light mediated desilylative C(sp(2))-C(sp(2)) cross-coupling reactions of arylsilanes with aryldiazonium salts under Au(i)/Au(iii) catalysis}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUL}, pages = {7223-7226}, abstract = {

Desilylative C(sp(2))-C(sp(2)) cross-coupling reactions of arylsilanes with aryldiazonium salts under Au(i)/photoredox catalysis have been reported. The addition of Cu-salts as catalysts was found to be crucial for the success of this transformation.

}, issn = {1359-7345}, doi = {10.1039/c8cc03925a}, author = {Chakrabarty, Indradweep and Akram, Manjur O. and Biswas, Suprakash and Patil, Nitin T.} } @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 {44180, title = {ZIF-8@DBzPBI-BuI composite membranes for olefin/paraffin separation}, journal = {Journal of Membrane Science}, volume = {549}, year = {2018}, month = {MAR }, pages = {38-45}, type = {Article}, abstract = {ZIF-8 is a member of Zeolitic Imidazole Framework family having high internal surface area, the high thermo-chemical stability and ease of synthesis gained immense attention for its highly selective sieving ability. Transforming it into a membrane form and practical utility remains a challenge. Any success towards this direction would radically reduce the cost of propylene/propane separation. Present study reports use of substituted polybenzimidazole (DBzPBI-BuI) for fabrication of flexible, thus scalable composite membranes with ZIF-8 (ZIF8@DBzPBI-BuI) possessing host-guest compatibility. The membrane with 30\% ZIF-8 loading showed promising propylene-propane separation (ideal selectivity of 32.7), coupled with propylene permeability of 12.13 Barrer. Analysis of sorption shed light on the high contribution of diffusivity on governing permeation properties of the composite membranes. The mixed gas analysis offered highly encouraging results in comparison to known composite membranes of different polymers with ZIF-8. Placement of present data on {\textquoteleft}upper-bound{\textquoteright} showed a rapid enhancement in selectivity by the addition of ZIF-8 in the polymer matrix, which seems to be a result of the elimination of inter-phase defects. It was made possible due to the functionality of host polymer.}, keywords = {Gas permeation, Olefin/paraffin separation, Polybenzimidazole (PBI), ZIF-8}, issn = {0376-7388}, doi = {10.1016/j.memsci.2017.11.069}, author = {Kunjattu, Shebeeb H. and Ashok, Varsha and Bhaskar, Anand and Pandare, Kiran and Banerjee, Rahul and Kharul, Ulhas K.} } @article {46127, title = {3-D nanoribbon-like Pt-free oxygen reduction reaction electrocatalyst derived from waste leather for anion exchange membrane fuel cells and zinc-air batteries}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {APR }, pages = {7893-7902}, type = {Article}, abstract = {

Fe-N-x and Fe-S-based ORR electrocatalysts have emerged as rightful candidates to replace Pt in fuel cells to make the technology cheap and sustainable. Fe-N-C catalysts are generally prepared by the pyrolysis of conducting polymers, metal-organic frameworks, aerogels, etc., and the combination of multiple heteroatoms and metal precursors. These precursors are mostly expensive and their synthesis involves multiple steps. In this report, we have demonstrated the synthesis of a Fe-N-C catalyst from the waste leather obtained from the footwear and other leather-consuming industries. The pyrolysis of leather with FeCl3 (metal source) results in the formation of a highly thin and porous nano-ribbon like morphology. Waste leather acts as a cost-free single source of heteroatoms like N, S and carbon. The catalyst synthesized at a temperature of 900 degrees C shows an overpotential of 40 mV and better durability compared to the commercial Pt/C catalyst. The catalyst is demonstrated as the cathode for alkaline exchange membrane fuel cell (AEMFC) and zinc-air battery (ZAB) applications. In the AEMFC, a power density of 50 mW cm(-2) and an OCV of 0.92 V are obtained whereas, in the ZAB, it exhibited a power density of 174 mW cm(-2) compared to 160 mW cm(-2) of the system based on the Pt/C catalyst.

}, issn = {2040-3364}, doi = {10.1039/c9nr00977a}, author = {Soni, Roby and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {47156, title = {[8+3]-cycloaddition of tropones with azaoxyallyl cations}, journal = {Chemistry-An Asian Journal}, volume = {14}, year = {2019}, month = {DEC }, pages = {4748-4753}, type = {Article}, abstract = {

Although azaoxyallyl cations are widely used as 1,3-dipoles for various cycloaddition reactions leading to nitrogen-containing heterocycles, their application in higher-order cycloaddition reaction remains scarce. Herein, we present the [8+3]-cycloaddition reaction of tropones with in situ generated azaoxyallyl cations allowing the one-step construction of cycloheptatriene-fused 1,4-oxazinones in moderate to good yields. This base-promoted new carbon-oxygen and carbon-nitrogen bond-forming reaction takes place under mild conditions in the absence of transition metal catalysts.

}, keywords = {1, 4-oxazinones, azaoxyallyl cations, heterocycles, tropones, [8+3] cycloaddition}, issn = {1861-4728}, doi = {10.1002/asia.201901198}, author = {Roy, Tony and Jacob, Anu and Bhattacharjee, Subrata and Biju, Akkattu T.} } @article {46252, title = {AgNO3-Catalysed intramolecular cyclization: access to functionalized cyclopentanones and spiro-cyclopentanones }, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

An efficient AgNO3-catalysed method has been developed for the synthesis of functionalized cyclopentanones and spiro-cyclopentanones through intramolecular cyclization between ynones and cyanoacrylate/aryl/alkylidene malononitrile using DBU as a base. Easy availability of starting materials and mild reaction conditions makes this protocol more feasible over previously reported methods. The functionalized cyclopentanones and spiro-cyclopentanones were synthesized in good to excellent yields with a broad substrate scope.

}, doi = {10.1002/ajoc.201900453}, author = {Bhoite, Shubhangi P. and Bansode, Ajay H. and Burate, Pralhad A. and Suryayanshi, Gurunath} } @article {46205, title = {All-organic composites of ferro- and piezoelectric phosphonium salts for mechanical energy harvesting application}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {AUG}, pages = { 5964-5972}, type = {A}, abstract = {

Molecular ferroelectrics owing to their lightweight, flexibility, and phase stability are drawing attention in the fields of flexible electronics, optical devices, and energy materials. In this paper, we report a series of binary organoamino phosphonium salts containing triphenyl isopropylaminophosphonium (TPAP), diphenyl diisopropylaminophosphonium (DPDP), phenyl triisopropylaminophosphonium (PTAP), and tetraisopropylaminophosphonium (TIAP) cations supported by lower symmetric tetrahedral BF4-, ClO4-, and IO4- anions. The P-E hysteresis loop measurements on these polar organic salts gave high remnant polarization (P-r) values of 35.36, 21.83, and 21.12 mu C cm(-2) for the DPDP center dot BF4, DPDP center dot ClO4, and DPDP center dot IO4 salts, respectively, having 1D hydrogen-bonded chain structures built from strong N-H center dot center dot center dot X (X = F or 0) interactions. For the first time, highly flexible composite devices have been prepared for the piezoelectric salts TPAP center dot BF4, DPDP center dot BF4, and TIAR center dot BF4 using thermoplastic polyurethane (TPU) as the matrix. The observed maximum peak-to-peak output voltages (V-pp) for the 10 wt \% composite devices of TPAP center dot BF4/TPU, DPDP center dot BF4/TPU, and TIAP center dot BF4/TPU are found to be 7.37, 8.95, and 4.75 V, respectively. These composite devices exhibit excellent durability, cycling stability, and viscoelastic properties. They also show the capacitor charging capabilities reaching their maximum charging points within 60 s.

}, doi = {10.1021/acs.chemmater.9b02409}, author = {Vijayakanth, Thangavel and Ram, Farsa and Praveenkumar, Balu and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {46015, title = {Alternating electric-field-induced assembly of binary mixtures of soft repulsive ionic microgel colloids}, journal = {Journal of Colloid and Interface Science }, volume = {544}, year = {2019}, month = {MAY}, pages = {88-95}, type = {Article}, abstract = {

An external alternating electric field is used to study the assembly of a binary mixture of Poly(N-isopro pylacrylamide-co-acrylic acid) microgels in their swollen form at hydrodynamic size ratio 2:1 under deprotonated state. The AC field experiments were carried out at a fixed frequency of 100 kHz in the fluid regime for three number density ratios 1:3, 1:1 and 3:1 of big-to-small microgels using a confocal microscope. Strings with different types of co-assembly structures such as buckled, ring, flame and sandwich have been observed at low and intermediate field strengths at ratio 1:3, 1:1. In buckled and ring type, one or two small particles sit at the contact of two big particles and in the flame type, small particles arrange like a cone at end of the string. In the sandwich structure, several double small particle layers lie in between big particles. At high field strength, aggregation of strings and a phase separation into individual aggregates of strings from both big and small microgels have been observed. At higher ratio 3:1, the string formation is mostly dominated by big particles. Our experimental results are discussed with the recent simulation and experimental works on AC field induced structures in binary hard sphere mixtures. (C) 2019 Elsevier Inc. All rights reserved.

}, keywords = {assembly, dipolar interactions, Microgels, Soft colloids}, issn = {0021-9797}, doi = {10.1016/j.jcis.2019.02.075}, author = {Jathavedan, Kiran and Bhat, Suresh K. and Mohanty, Priti S.} } @article {46239, title = {Alternative synthesis of the CNS stimulant Prolintane}, journal = {Arkivoc}, year = {2019}, pages = { 292-297}, type = {Article}, abstract = {

An alternative synthesis of prolintane, a CNS stimulant, is reported using commercially available allyl benzene in good overall yield (32.3\%). The key transformations include epoxidation, Grignard reaction, Mitsunobu and reduction protocols.

}, doi = {10.24820/ark.5550190.p010.952}, author = {Mujahid, M. and Korpe, G. V. and Deshmukh, S. P. and Bhadange, S. G. and Muthukrishnan, M.} } @article {46041, title = {Amino acid amide based ionic liquid as an efficient organo-catalyst for solvent-free knoevenagel condensation at room temperature}, journal = {Catalysis Letters}, volume = {149}, year = {2019}, month = {SEP}, pages = {2368-2375}, type = {Article}, abstract = {

Ionic liquids of amino acid amide were synthesized and used as an efficient catalyst for solvent-free Knoevenagel condensation. Synthesized ionic liquids are an environmentally benign, inexpensive, metal free and plays the dual role of solvent as well as an efficient catalyst for Knoevenagel condensation. A wide range of aliphatic, aromatic and heteroaromatic aldehydes easily undergo condensation with malononitrile and ethyl cyanoacetate. The reaction proceeds at room temperature without using any organic solvent and is very fast with good to excellent yield. Additionally, the catalyst is easily separable and recyclable without loss of activity. [GRAPHICS] .

}, keywords = {Acrylonitrile, Amino acid amide, Cyanoacrylate, Ionic liquid, Knoevenagel condensation, Solvent-free}, issn = {1011-372X}, doi = {10.1007/s10562-019-02840-5}, author = {Burate, Pralhad A. and Javle, Balasaheb R. and Desale, Pranjal H. and Kinage, Anil K.} } @article {45623, title = {Amphiphilic glycopolypeptide star copolymer-based cross-linked nanocarriers for targeted and dual-stimuli-responsive drug delivery}, journal = {Bioconjugate Chemistry}, year = {2019}, month = {JAN}, type = {Article}, abstract = {Glycopolypeptide-based nanocarriers are an attractive class of drug delivery vehicles because of the involvement of carbohydrates in the receptor-mediated endocytosis process. To enhance their efficacy toward controlled and programmable drug delivery, we have prepared stable glycopolypeptide-based bioactive dual-stimuli-responsive (redox and enzyme) micelles for delivery of anticancer drugs specifically to the cancer cells. The amphiphilic biocompatible miktoarm star copolymer, which comprises two hydrophobic poly(ε-caprolactone) blocks, a short poly(propargyl glycine) middle block, and a hydrophilic galactose glycopolypeptide block, was designed and synthesized. The star copolymer is initially self-assembled into un-cross-linked (UCL) micelles, and free alkyne groups at the core{\textendash}shell interface of the UCL micelles, which were cross-linked by bis(azidoethyl) disulfide (BADS) via click chemistry to form interface cross-linked (ICL) micelles. ICL micelles were found to be stable against dilution. BADS imparted redox-responsive properties to the micelles, while PCL rendered them enzyme-degradable. Dual-stimuli-responsive release behavior with Dox as model drug was studied individually as well as synergistically by applying two stimuli in different sequences. The galactose-containing UCL and ICL micelles were shown to be nontoxic. Intracellular Dox release from UCL and ICL micelles was demonstrated in liver cancer cells (HepG2) by time-dependent cellular uptake studies, and controlled release from ICL micelles compared to UCL micelles was observed. The present report opens a new approach toward targeted and programmable drug delivery in tumor tissues via a specifically targeted (receptor-mediated), dual-responsive, and stable cross-linked nanocarrier system.}, doi = {10.1021/acs.bioconjchem.8b00831}, author = {Pandey, B. and Patil, N. G. and Bhosle, G. S. and Ambade, A. V. and Gupta, S. S.} } @article {46106, title = {Amphiphilic polypyridyl ruthenium complexes: synthesis, characterization and aggregation studies}, journal = {Polyhedron}, volume = {164}, year = {2019}, month = {MAY }, pages = {96-107}, type = {Article}, abstract = {

{Synthesis and characterization of five amphiphilic ruthenium(11) complexes of the type [Ru(Cn)(3)]center dot(PF6)(2) (Cn = 4,4{\textquoteright}-dialkyl-2,2{\textquoteright}-bipyridine

}, keywords = {2, 2 {\textquoteleft}-bipyridine, Aggregation, Amphiphilic ligand, Metallosurfactant, Ruthenium complexes}, issn = {0277-5387}, doi = {10.1016/j.poly.2019.02.035}, author = {Bhand, Sujit and Lande, Dipali N. and Pereira, Eulalia and Gejji, Shridhar P. and Weyhermueller, Thomas and Chakravarty, Debamitra and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article {46334, title = {Arresting an unusual amide tautomer using divalent cations}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {OCT}, pages = {8419-8424}, type = {Article}, abstract = {

Ion-specific effects on peptides and proteins are key to biomolecular structure and stability. The subtle roles of the cations are far less understood, compared to the pronounced effects of the anions on proteins. Most importantly, divalent cations such as Ca2+ and Mg2+ are crucial to several biological functions. Herein, we demonstrate that an amide-iminolate equilibrium is triggered by the binding of the divalent cations to the amide oxygen in aqueous solution. The excellent agreement between the experimental and theoretical results confirms the arrest of an unusual amide tautomer by the divalent cations, which is a rarely known phenomenon that might open up an array of applications in chemistry and biology.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08463}, author = {Kashid, Somnath M. and Singh, Reman K. and Kwon, Hyejin and Kim, Yung Sam and Mukherjee, Arnab and Bagchi, Sayan} } @article {46166, title = {Aryne Sommelet-Hauser rearrangement}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAR}, pages = {3004-3007}, type = {Article}, abstract = {

An aryne induced transition-metal-free and mild Sommelet-Hauser rearrangement of tertiary benzylamines for the synthesis of -aryl amino acid derivatives in moderate to good yields is presented. Unlike the conventional Sommelet-Hauser rearrangement of ammonium salts, the methodology developed herein requires neither harsh conditions nor strong bases. Moreover, a temperature dependent switchable selectivity for the Sommelet-Hauser and Stevens [1,2] rearrangements has been observed.

}, issn = {1359-7345}, doi = {10.1039/c9cc00629j}, author = {Roy, Tony and Gaykar, Rahul N. and Bhattacharjee, Subrata and Biju, Akkattu T.} } @article {46113, title = {Azadirachtin-A from azadirachta indica impacts multiple biological targets in cotton bollworm helicoverpa armigera}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9531-9541}, type = {Article}, abstract = {

Azadirachtin-A (AzaA) from the Indian neem tree (Azadirachta indica) has insecticidal properties; however, its molecular mechanism remains elusive. The {\textquoteleft}{\textquoteleft}targeted and nontargeted proteomic profiling{\textquoteright}{\textquoteright}, metabolomics, matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) imaging, gene expression, and in silico analysis provided clues about its action on Helicoverpa armigera. Fourth instar H. armigera larvae fed on AzaA-based diet (AzaD) suffered from significant mortality, growth retardation, reduced larval mass, complications in molting, and prolonged development. Furthermore, death of AzaD-fed larvae was observed with various phenotypes like bursting, blackening, and half-molting. Liquid chromatography-mass spectrometry (LC-MS) data showed limited catabolic processing of ingested AzaA and dramatic alternations of primary metabolism in H. armigera. MALDI-TOF imaging indicated the presence of AzaA in midgut of H. armigera. In the gut, out of 79 proteins identified, 34 were upregulated, which were related to digestion, immunity, energy production, and apoptosis mechanism. On the other hand, 45 proteins were downregulated, including those from carbohydrate metabolism, lipid metabolism, and energy transfer. In the hemolymph, 21 upregulated proteins were reported to be involved in immunity, RNA processing, and mRNA-directed protein synthesis, while 7 downregulated proteins were implicated in energy transfer, hydrolysis, lipid metabolism, defense mechanisms, and amino acid storage-related functions. Subsequently, six target proteins were identified using labeled AzaA that interacted with whole insect proteins. In silico analysis suggests that AzaA could be efficiently accommodated in the hydrophobic pocket of juvenile hormone esterase and showed strong interaction with active site residues, indicating plausible targets of AzaA in H. armigera. Quantitative polymerase chain reaction analysis suggested differential gene expression patterns and partly corroborated the proteomic results. Overall, data suggest that AzaA generally targets more than one protein in H. armigera and hence could be a potent biopesticide.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b03479}, author = {Dawkar, Vishal V. and Barage, Sagar H. and Barbole, Ranjit S. and Fatangare, Amol and Grimalt, Susana and Haldar, Saikat and Heckel, David G. and Gupta, Vidya S. and Thulasiram, Hirekodathakallu V. and Svatos, Ales. and Giri, Ashok P.} } @article {47164, title = {Baicalein suppresses repeat tau fibrillization by sequestering oligomers}, journal = {Archives of Biochemistry and Biophysics}, volume = {675}, year = {2019}, month = {OCT}, pages = {108119}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disorder caused by protein misfolding, aggregation and accumulation in the brain. A large number of molecules are being screened against these pathogenic proteins but the focus for therapeutics is shifting towards the natural compounds as aggregation inhibitors, mainly due to their minimum adverse effects. Baicalein is a natural compound belonging to the class of flavonoids isolated from the Chinese herb Scutellaria baicalensis. Here we applied fluorescence, absorbance, microscopy, MALDI-TOF spectrophotometry and other biochemical techniques to investigate the interaction between Tau and Baicalein in vitro. We found the aggregation inhibitory properties of Baicalein for the repeat Tau. Overall, the potential of Baicalein in dissolving the preformed Tau oligomers as well as mature fibrils can be of utmost importance in therapeutics for Alzheimer{\textquoteright}s disease.

}, keywords = {Alzheimer disease, Baicalein, Microtubule assembly, Paired helical filaments, Protein aggregation, tau protein}, issn = {0003-9861}, doi = {10.1016/j.abb.2019.108119}, author = {Sonawane, Shweta Kishor and Balmik, Abhishek Ankur and Boral, Debjyoti and Ramasamy, Sureshkumar and Chinnathambi, Subashchandrabose} } @article {46228, title = {Bioactivities and molecular networking-based elucidation of metabolites of potent actinobacterial strains isolated from the Unkeshwar geothermal springs in India}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {MAR}, pages = {9850-9859}, type = {Article}, abstract = {

The bioactive potential of Actinobacteria endemic to hot springs has rarely been investigated. This study highlights the cultivable diversity and bioactivities of Actinobacteria associated with the Unkeshwar hot springs, India. Potent strains were evaluated for their biosynthetic potentials and metabolite analysis was performed using effective dereplication molecular networking tools. A total of 86 actinobacterial strains were isolated and grouped into 21 distinct genera, based on 16S rRNA gene sequence analysis. These strains included rare members such as Micromonospora, Marmoricola, Actinomadura, Cellulomonas, Cellulosimicrobium, Janibacter, Rothia, Barrentisimonas, Dietzia and Glycomyces. In antimicrobial screening, Micromonospora sp. strain GH99 and Streptomyces sp. strain GH176 were found to be potent antimicrobial strains. The metabolic extracts of these strains exhibited strong antimicrobial activity against Staphylococcus epidermidis (NCIM 2493), Shigella flexneri (NCIM 5265), Klebsiella pneumonia (NCIM 2098), and Salmonella abony (NCIM 2257). The extracts also displayed strong anti-biofilm and anticancer activities against Pseudomonas aeruginosa (NCIM 5029), Acinetobacter junii (NCIM 5188) and breast cancer cell line MCF7, respectively. Both strains also tested positive for the presence of the PKS biosynthetic gene cluster in their genomes. To effectively delineate the secondary metabolites, the extracts were subjected to MS/MS-guided molecular networking analysis. Structurally diverse compounds including the polyketides 22-dehydroxymethyl-kijanolide (GH99 strain) and Abyssomicin I (GH176 strain) were detected in the extracts. Interestingly, Brevianamide F was detected in the extract of Micromonospora, which has previously been mostly found in fungal species. Other compounds such as cyclic tripeptides, Cyclo(l-Pro-d-Ile) and Cyclo(d-Pro-l-Phe), were also identified in this strain. In summary, for the first time, we explored the diversity of Actinobacteria and evaluated their bioactive potential from the Unkeshwar hot springs. The potent strains isolated in the study could be useful in drug discovery programs.

}, doi = {10.1039/c8ra09449g}, author = {Mehetre, Gajanan T. and Vinodh, J. S. and Burkul, Bhushan B. and Desai, D. and Santhakumari, B. and Dharne, Mahesh S. and Dastager, Syed G} } @article {45566, title = {Borassus powder-reinforced poly(lactic acid) composites with improved crystallization and mechanical properties}, journal = {Journal of Applied Polymer Science}, volume = {136}, year = {2019}, month = {JAN}, pages = {Article No: 47440}, type = {Article}, abstract = {This article reports on the development of biocomposites based on polylactic acid (PLA) and borassus powder. Borassus powder was treated with alkali to remove hemicelluloses and lignin. The treated borassus improved the homogeneous mixing with PLA and increased the crystallinity of PLA. Dispersibility of the borassus was studied by scanning electron microscopy (SEM) and X-ray MicroCT. PLA/borassus composites were prepared by melt mixing of PLA with 5, 10, and 15 wt \% treated/untreated borassus. Composites were examined for mechanical properties and crystallization. Composites showed enhanced tensile strength compared to neat PLA. The PLA/treated borassus powder composites displayed higher crystallinity than PLA. The isothermal cold crystallization study showed increase in the crystallization rate of PLA in the presence of treated borassus. The spherulitic growth was studied using polarized optical microscopy. The enhanced performance of the PLA-borassus composites was observed in the presence of borassus. This study demonstrates that the PLA-borassus composites show great promise for bioplastics applications.}, doi = {10.1002/app.47440}, author = {Marathe, Y. N. and Arun, Torris A. T. and Ramesh, C. and Badiger, M. V.} } @article {46064, title = {Boron-conjugated pyrenes as fluorescence-based molecular probes and security markers}, journal = {ChemPlusChem}, year = {2019}, month = {JUL}, type = {Article}, abstract = {

Boron-embedded aromatic hydrocarbons are a class of molecules known for their distinct electronic and/or optoelectronic properties and are thus suitable for many potential applications. Among those, boronic ester and acid containing molecules have been widely used for sensing and molecular recognition applications, respectively. We compared the sensing and molecular recognition properties of two boron-containing pyrene derivatives for fluoride and glucose sensing applications. The presence of four boronate ester groups enabled fluoride ion sensing at the mu M level. The boronic acid derivative is very selective towards glucose compared to other saccharides. Furthermore, we used the mechano-responsive fluorescence changes and self-assembly of these derivatives, respectively, for fluorescence-based inkless and ink (water)-based writing in invisible security labeling applications.

}, keywords = {boron, carbohydrates, mechanoluminescence, pyrene, sensors}, issn = {2192-6506}, doi = {10.1002/cplu.201900280, Early Access Date = JULY, Early Access Year = 2019}, author = {Wakchaure, Vivek Chandrakant and Das, Tamal and Babu, Sukumaran Santhosh} } @article {46297, title = {Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping (vol 53, pg 7072, 2017)}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6462-6462}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping{\textquoteright} by Goudappagouda et al., Chem. Commun., 2017, 53, 7072-7075.

}, issn = {1359-7345}, doi = {10.1039/c9cc90228g}, author = {Goudappagouda and Wakchaure, Vivek Chandrakant and Ranjeesh, Kayaramkodath Chandran and Abhai, Chalona Antony Ralph and Babu, Sukumaran Santhosh} } @article {45568, title = {Characterization of novel acidic and thermostable phytase secreting Streptomyces sp. (NCIM 5533) for plant growth promoting characteristics}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {18}, year = {2019}, month = {MAR}, pages = {Article No: 101020}, type = {Article}, abstract = {Successful agricultural practices in acidic and arid region soils are still challenging worldwide. We investigated Actinomycete strain obtained from soil, which was found to produce extracellular phytase having the optimum pH, temperature of 2.5 and 70 {\textdegree}C, respectively and Plant growth promoting (PGP) attributes. These abilities of the phytase make it novel as compared to other Streptomyces derived phytases. Strain was also evaluated for physiological traits such as salinity, temperature, and pH followed by morphological and molecular identification. The Streptomyces sp. strain (NCIM 5533) displayed additional PGP traits such as indole-3-acetic acid (IAA), ammonia and phosphate solubilization activity. A significant increment in Tomato plant (Solanum lycopersicum) root, shoot and as well as total height in bioassays at laboratory scale and green house level and its ability to colonize roots substantiated its potency as a true plant growth promoting rhizobacteria (PGPR). To our knowledge this is the first report of Streptomyces sp. having the ability to produce acidic and thermostable phytase as well as PGP traits showing enhanced plant growth could have implications in soils having acidic nature and also in arid region.}, doi = {10.1016/j.bcab.2019.101020}, author = {Puppala, K. R. and Bhavsar, K. and Sonalkar, V. and Khire, J. M. and Dharne, M. S.} } @article {46204, title = {Charge transfer liquid: a stable donor-acceptor interaction in the solvent-free liquid state}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {AUG}, pages = {9371-9374}, type = {Article}, abstract = {

Charge-transfer complexes have been an inspiration to develop many functional soft materials. However, most of those studies have focused on solution based assemblies wherein the explicit control of solvents and their polarity are crucial. In this context, we explore an efficient and stable charge transfer liquid using a solvent-free liquid dialkoxynaphthalene donor and a naphthalenediimide acceptor. It has been observed that irrespective of the donor-acceptor ratio, the charge-transfer liquid exhibited an unprecedented stability and retained characteristic features even at increased temperatures. The underlying intermolecular interactions leading to efficient CT have been examined by NMR techniques together with theoretical modelling studies. The concept of charge transfer liquid will be highly beneficial for the development of processable optoelectronically active materials.

}, doi = {10.1039/c9cc03671g}, author = {Wakchaure, Vivek Chandrakant and Pillai, Lekshmi, V and Goudappagouda and Ranjeesh, Kayaramkodath Chandran and Chakrabarty, Suman and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R and Babu, Sukumaran Santhosh} } @article {46434, title = {Chiral separation of styrene oxides supported by enantiomeric tetrahedral neutral Pd(II) cages}, journal = {Inorganic Chemistry}, volume = {58}, year = {2019}, month = {NOV}, pages = {15017-15020}, type = {Article}, abstract = {

The separation of enantiomers is of considerable importance in the preparation of the compounds of biological interests, catalysis, and drug development. Here, we report a novel enantioseparation of styrene epoxides (SOs) resolved in the presence of a pair of enantio-enriched tetrahedral cages. Chiral neutral cages of formula [(Pd3X*)(4)(C6O4Cl2)(6)] ([X*](3-) = RRR-or SSS-[PO(N(*CH(CH3)Ph)(3)](3)) are constructed from Pcl, building units supported by tris(imido)phosphate trianions and chloranilate linkers. These cages exhibit considerable enantioselective separation capabilities toward a series of styrene epoxides via a crystallization inclusion method. A highest enantiomeric excess (ee) value of up to 80\% is achieved for the (R)-4-fluorostyrene oxide.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.9b02389}, author = {Rajasekar, Prabhakaran and Pandey, Swechchha and Ferrara, Joseph D. and Del Campo, Mark and Le Magueres, Pierre and Boomishankar, Ramamoorthy} } @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 {47173, title = {Comparative study of a class of mean field theories of the glass transition}, journal = {Journal of Statistical Mechanics-Theory and Experiment}, volume = {2019}, year = {2019}, month = {AUG}, pages = {084008}, type = {Article}, abstract = {

In a recently developed microscopic mean field theory, we have shown that the dynamics of a system, when described only in terms of its pair structure, can predict the correct dynamical transition temperature. Further, the theory predicted the difference in dynamics of two systems (the Lennard-Jones and the Weeks-Chandler-Andersen) despite them having quite similar structures. This is in contrast to the Schweizer-Saltzman (SS) formalism which predicted the dynamics of these two systems to be similar. The two theories although similar in spirit have certain differences. Here we present a comparative study of these two formalism to find the origin of the difference in their predictive power. We show that not only the dynamics in the potential energy surface, as described by our earlier study, but also that in the free energy surface, like in the SS theory, can predict the correct dynamical transition temperature. Even an approximate one component version of our theory, similar to the system used in the SS theory, can predict the transition temperature reasonably well. Interestingly, we show here that despite the above mentioned shortcomings the SS theory can actually predict the correct transition temperatures. Thus microscopic mean field theories of this class which express dynamics in terms of the pair structure of the liquid while being unable to predict the actual dynamics of the system are successful in predicting the correct dynamical transition temperature.

}, keywords = {aging, etc), glasses (colloidal, glassy dynamics, mode coupling theory, Polymer, slow relaxation}, issn = {1742-5468}, doi = {10.1088/1742-5468/ab3115}, author = {Saha, Indranil and Nandi, Manoj Kumar and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {46418, title = {Comparative study of anomalous size dependence of charged and neutral solute diffusion in water}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {DEC}, pages = {10275-10285}, type = {Article}, abstract = {

We present a comparative study of size dependence of diffusion for charged and neutral solutes in water. Although both show nonmonotonicity of the size dependence of diffusion, their nature and origin are quite different. For neutral solutes, the peak position and the value of diffusion at the maximum are both independent of the solute water interaction. Interestingly, for charged solutes, with an increase in solute water interaction strength, the peak position shifts to lower solute sizes and with an increase in charge, it shifts to higher solute sizes. The diffusion value at the peak reduces with an increase in both solute water interaction and solute charge. We show that all these features observed for charged solutes can be understood in terms of the interplay between ionic and nonionic interactions which is definitely absent for neutral solutes. Some of the earlier studies addressing the nonmonotonicity in diffusion did suggest the interplay between the two interactions to be the cause. However, this is the first time we show that such an interplay gives rise to the nonmonotonicity in the potential energy which is a prerequisite for obtaining the nonmonotonicity in the diffusion. Such nonmonotonicity in the potential energy is absent for neutral solutes.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08023}, author = {Acharya, Sayantan and Nandi, Ujjwal K. and Bhattacharyya, Sarika Maitra} } @article {46088, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule (vol 54, pg 212, 2018)}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6461}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule{\textquoteright} by Kilingaru I. Shivakumar et al., Chem. Commun., 2018, 54, 212-215.

}, issn = {1359-7345}, doi = {10.1039/c9cc90229e}, author = {Shivakumar, Kilingaru I. and Goudappagouda and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {45520, title = {Constraints-based analysis identifies NAD(+) recycling through metabolic reprogramming in antibiotic resistant Chromobacterium violaceum}, journal = {PLoS One}, volume = {14}, year = {2019}, month = {JAN }, pages = {Article Number: e0210008}, type = {Article}, abstract = {

In the post genomic era, high throughput data augment stoichiometric flux balance models to compute accurate metabolic flux states, growth and energy phenotypes. Investigating altered metabolism in the context of evolved resistant genotypes potentially provide simple strategies to overcome drug resistance and induce susceptibility to existing antibiotics. A genome-scale metabolic model (GSMM) for Chromobacterium violaceum, an opportunistic human pathogen, was reconstructed using legacy data. Experimental constraints were used to represent antibiotic susceptible and resistant populations. Model predictions were validated using growth and respiration data successfully. Differential flux distribution and metabolic reprogramming were identified as a response to antibiotics, chloramphenicol and streptomycin. Streptomycin resistant populations (StrpR) redirected tricarboxylic acid (TCA) cycle flux through the glyoxylate shunt. Chloramphenicol resistant populations (ChlR) resorted to overflow metabolism producing acetate and formate. This switch to fermentative metabolism is potentially through excess reducing equivalents and increased NADH/NAD ratios. Reduced proton gradients and changed Proton Motive Force (PMF) induced by antibiotics were also predicted and verified experimentally using flow cytometry based membrane potential measurements. Pareto analysis of NADH and ATP maintenance showed the decoupling of electron transfer and ATP synthesis in StrpR. Redox homeostasis and NAD(+) cycling through rewiring metabolic flux was implicated in re-sensitizing antibiotic resistant C. violaceum. These approaches can be used to probe metabolic vulnerabilities of resistant pathogens. On the verge of a post-antibiotic era, we foresee a critical need for systems level understanding of pathogens and host interaction to extend shelf life of antibiotics and strategize novel therapies.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0210008}, author = {Banerjee, Deepanwita and Raghunathan, Anu} } @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 {46061, title = {Core-size dispersity dominates the self-assembly of polymer grafted nanoparticles in solution}, journal = {Macromolecules}, volume = {52}, year = {2019}, month = {JUL }, pages = {4888-4894}, type = {Article}, abstract = {

In polymer-grafted nanoparticles (PGN), covalent tethering of apolar polymer chains to a polar inorganic nanoparticle core induces the formation of self-assembled aggregates. Since the nature of these aggregates determines bulk mechanical and transport properties, it is of importance to understand the factors that determine the underlying assembly processes. In the literature, the solution assembly of PGNs has been understood in analogy to small-molecule amphiphiles. However, in any experimental realization, PGNs are invariably characterized by additional structural complexity, such as the distributions in the inorganic core size and in the grafted chains (both in their length and grafting density). These strongly influence the assembly of amphiphilic PGNs. We have previously demonstrated that dispersity in core size qualitatively affects the structure of PGN aggregates, and Jayaraman et al. demonstrated the effect of grafted chain-length dispersity. The combined effects of dispersity in the size of the core and grafted chains have not been explored previously. Here, we develop a model that builds on the work of Daoud and Cotton to explore a wide parameter space of PGN with dispersity simultaneously in core size and grafted chain length. We demonstrate that dispersity in core size is the dominant factor affecting the self-assembled solution structure of PGN aggregates. Our work suggests the importance of focusing on synthetic strategies for control of core-size dispersity to control aggregate structure in PGN.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.9b00704}, author = {Bachhar, Nirmalya and Kurnaraswamy, Guruswamy and Kumar, Sanat K.} } @article {46219, title = { Covalent organic frameworks: chemistry beyond the structure }, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {FEB}, pages = {1807-1822}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) represent a new field of rapidly growing chemical research that takes direct inspiration from diverse covalent bonds existing between atoms. The success of linking atoms in two and three dimensions to construct extended framework structures moved the chemistry of COFs beyond the structures to methodologies, highlighting the possibility of prospective applications. Although structure to property relation in COFs has led to fascinating properties, chemical stability, processability and scalability were some of the important challenges that needed to be overcome for their successful implementation. In this Perspective, we take a closer look at the growth of COFs from mere supramolecular structures to potential industrializable materials.

}, doi = { 10.1021/jacs.8b10334}, author = {Kandambeth, Sharath and Dey, Kaushik and Banerjee, Rahul} } @article {46413, title = {Covalent self-assembly in two dimensions: connecting covalent organic framework nanospheres into crystalline and porous thin films}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {DEC }, pages = {20379}, type = {Article}, chapter = {20371}, abstract = {

Insolubility of covalent organic frameworks (COFs) in organic solvents is one of the major obstacles for the potential application of these extended networks such as drug delivery, sensing, optoelectronics, and semiconductor device fabrication. The present work proposes a unique way to make uniform, solution-processable, crystalline, and porous COF nanospheres directly from the homogeneous solution of amine and aldehyde via spatial and temporal control of the nucleation and growth. This strategy of direct nucleation simultaneously showcases the caliber to tune the size of the COF nanospheres from 25 to 570 nm. We have also demonstrated the concept of mesoscale covalent self-assembly of those solution-processable COF nanospheres in the liquid-liquid interface (DCM-water bilayer) for the very first time, transmuting them into self-standing COF thin films with long-range ordered arrangements in two dimensions. The crystalline and porous (with TpAzo showing highest S-BET of 1932 m(2) g(-1)) free-standing COF thin films could be fabricated in a wide range of thicknesses from as low as 21 nm to as high as 630 nm. Both beta-ketoenamine (TpAzo, TpDPP) and imine (TpOMeAzo, TpOMeDPP) linked COF thin films have been synthesized via mesoscale covalent self-assembly of the solution-processable COF nanospheres illustrating the generality of this eloquent methodology. Further, the solution processability has been tested and utilized to cast COF thin films uniformly in the inner and outer surface of an alumina hollow fiber membrane. The COF thin film-alumina hollow fiber membrane composites have showcased promising selective molecular separation of He and O-2, He and CO2, and He and N-2.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b10788}, author = {Sasmal, Himadri Sekhar and Halder, Arjun and Kunjattu, Shebeeb and Dey, Kaushik and Nadol, Athulya and Ajithkumar, Thalasseril G. and Bedadur, Prachiti Ravindra and Banerjee, Rahul} } @article {46118, title = {Crystalline acylhydrazone photoswitches with multiple mechanical responses}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {MAY}, pages = {3039-3044}, type = {Article}, abstract = {

The advancement of our understanding of stimuli responsive molecular crystals has led to the realization that they hold great yet unexplored potential as adaptive materials. Although molecular crystals that exhibit a single mechanical response to a single input stimulus are now abundant, crystals that are capable of response to multiple stimuli are rather scarce. Here we report two photoswitchable acylhydrazone derivatives, Ac-1 and Ac-2, which respond to light as well as to mechanical force. Upon application of localized mechanical stress, the anhydrous (Ac-1a) and monohydrate (Ac-1h) crystals of Ac-1 undergo plastic shearing deformation and bending, whereas monohydrate crystals of Ac-2 undergo elastic deformation. When they are exposed to UV light, crystals of Ac-1h and Ac-2 undergo photoinduced bending; on the other hand, crystals of Ac-1a and thicker crystals of Ac-2 exhibit photosalient effect (light-induced leaping). It is demonstrated that the synergistic action of multiple stimuli (UV light and force) elicits enhanced mechanical response, and this strategy could be employed in the future to increase the efficacy of single crystal actuators.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b01860}, author = {Gupta, Poonam and Panda, Tamas and Allu, Suryanarayana and Borah, Silpisikha and Baishya, Anamika and Gunnam, Anilkumar and Nangia, Ashwini and Naumov, Pance and Nath, Naba K.} } @article {46107, title = {Demystifying a hexuronic acid ligand that recognizes Toxoplasma gondii and blocks its invasion into host cells}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {MAY}, pages = {4535-4542}, type = {Article}, abstract = {

Toxoplasma gondii is a ubiquitous eukaryotic pathogen responsible for toxoplasmosis in humans and animals. This parasite is an obligate intracellular pathogen and actively invades susceptible host cells, a process which is mediated by specific receptor-ligand interactions. Here, we have identified an unnatural 2,4-disulfated D-glucuronic acid (Di-S-GlcA), a hexuronic acid composed of heparin/ heparan sulfate, as a potential carbohydrate ligand that can selectively bind to T. gondii parasites. More importantly, the gelatin conjugated Di-S-GlcA multivalent probe displayed strong inhibition of parasite entry into host cells. These results open perspective for the future use of Di-S-GlcA epitopes in biomedical applications against toxoplasmosis.

}, issn = {1477-0520}, doi = {10.1039/c9ob00744j}, author = {Subramani, Balamurugan and Shantamurthy, Chethan D. and Maru, Parag and Belekar, Meenakshi A. and Mardhekar, Sandhya and Shanmugam, Dhanasekaran and Kikkeri, Raghavendra} } @article {45806, title = {Density functional theory-based study of the magnetic and optical properties of PbMO3 (M = Cr, Fe) using the modified BeckeJohnson mBJ functional}, journal = {Journal of Physics and Chemistry of Solids}, year = {2019}, month = {MAY}, type = {Article}, chapter = {275-282}, abstract = {

In this study, we employed the density functional theory (DFT) approach using WIEN2k code to study the magnetic and optical behaviors of PbCrO3 and PbFeO3 perovskites in both cubic and tetragonal phases. We determined the stability of the ferromagnetic state in terms of the enthalpy of formation, the half-metallic behavior, and spin polarization. The origin and nature of the ferromagnetic state were attributed to John-Teller distortion and a super-exchange mechanism. Comparisons of the calculated crystal field, John-Teller distortion, and exchange energies indicated the stability of the ferromagnetic nature. Due to strong hybridization, the magnetic moment was reduced at the Cr/Fe sites but generated at the nonmagnetic sites. The optical characteristics were explained by in-depth analyses of the polarization, plasmonic resonance, transparency, and other features in terms of the computed parameters.

}, issn = {00223697}, doi = {10.1016/j.jpcs.2017.12.030}, author = {Mahmood, Q. and Hassan, M. and Bhamu, K.C. and Yaseen, M. and Ramay, S.M. and Mahmood, A.} } @article {46168, title = {Design and synthesis of 2-amino-thiophene-proline-conjugates and their anti-tubercular activity against mycobacterium tuberculosis H37Ra}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAR }, pages = {2851-2857}, type = {Article}, abstract = {

The emergence of extensively drug resistant tuberculosis (XDRTB) and multi-drug resistant tuberculosis (MDR-TB) has necessitated the development of new drugs with short chemotherapy treatment regime and cost effectiveness. To overcome these challenges, we are reporting the synthesis of a series of 2-amino-thiophene-proline-conjugates which show potent invino and ex-vivo anti-tubercular (anti-TB) activity against mycobacterium tuberculosis (rntb) H37Ra. The synthesis of these 2-amino-thiophene-proline-conjugates was carried out via solution phase peptide coupling reactions using methyl-2aminothiophene-3-carboxylate 8 as an intermediate obtained by modified gewald reaction. Intermediate 8 was coupled with different amino acids to obtain dipeptides 3, 4, 5, 6a and 7. Priliminary anti-TB assay data encoureaged us to synthesize modified proline derivatives 6b-6k via formation of a benzoxazinone intermediate 16. Most of these conjugates are active against mtb H37Ra in both active (A) and dormant (D) strains. They are also active against drug resistant mtb H37Ra strains. A trifluoroethyl ester analog, 6i was the most potent among the series [MIC 1 mu g/mL] along with 6f and 6g [MIC 2-6 mu g/mL]. Cytotoxicity studies suggested that, these compounds are less cytotoxic to human cell lines HeLa, MCF-7, HUVEC and hence possess high selectivity index (SI). Docking studies revealed that the binding mode of most active compounds 6i, 6g and 6f is in accordance with their bioactivity studies having docking score 8.969, 8.446 and 7.865, respectively. More- over, in sllico ADME properties suggest that all the compounds possess drug like properties.

}, keywords = {2-aminothiophene, Anti-tubercular, docking studies, Inh A gene, selectivity index}, issn = {2365-6549}, doi = {10.1002/slct.201803370}, author = {Baravkar, Sachin B. and Wagh, Mahendra A. and Nawale, Laxman U. and Choudhari, Amit S. and Bhansali, Sujit and Sarkar, Dhiman and Sanjayan, Gangadhar J.} } @article {45612, title = {Designing multifunctional MOFs using an inorganic motif [Cu3(μ3-OH)(μ-Pyz)] as SBU and their properties}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {FEB}, pages = {992-1004}, type = {Article}, abstract = {

In a continuation of our interest in pyrazole-based multifunctional metal-organic frameworks (MOFs), we report herein the construction of a series of Cu(II) MOFs using pyrazole and various 5-substituted isophthalic acids. The central theme is to generate MOFs using the crystal engineering strategy of spacer and node; however, for the node we have introduced a well-known inorganic motif, a [Cu-3(mu(3)-OH)(mu-Pyz)(3)] unit. The appearance of the SBU in five MOFs confirms the robustness and reproducibility of the motif with some interesting structures of various dimensionality ranging from 1D helical and 2D herringbone grid to a complex 3D framework. The deployment of bent acids brings chirality via helicity in the system, as further confirmed by solid-state CD spectra. A detailed investigation of the porous MOFs reveals their importance as zeolite analogues for environment remediation. MOF-1-MOF-5 show some interesting photodegradation of harmful organic dyes. MOF-4 and MOF-5 show impressive selective CO2 gas sorption properties. Furthermore, magnetic properties associated with the trinuclear and hexanuclear SBUs of MOF-1 and MOF-3-MOF-5 have also been investigated.

}, doi = {10.1021/acs.cgd.8b01540}, author = {Akhtar, S. and Bala, S. and De, A. and Das, K. S. and Adhikary, A. and Jyotsna, S. and Poddar, P. and Mondal, R.} } @article {46100, title = {Dexterous route for synthesis of hollow spherical ZnO and ZnO-Ag nanocomposite with superior photocatalytic ability}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAY }, pages = {5518-5526}, type = {Article}, abstract = {

Hollow spherical ZnO and hollow ZnO-Ag nanocomposites with variable percentage of loading of Ag content were successfully fabricated through a novel, template free and easily reproducible route. Extensive characterizations were carried out using FTIR, XRD, XPS, BET, TEM and SEM. The hollow morphology of the particle and the composite encouraged a detailed photocatalysis study in comparison to solid commercial ZnO and the corresponding ZnO-Ag composite. The photocatalytic activity of the hollow particle and the composite was assessed monitoring the decolouration of methylene blue dye using UV-Vis absorption spectroscopic technique. An increased surface area for hollow morphology as compared to solid particles established a conspicuous boost in photocatalytic activity.

}, keywords = {excellent photocatalysis, synthesis, template free, ZnO hollow nanoparticles, ZnO-Ag nanocomposite}, issn = {2365-6549}, doi = {10.1002/slct.201900760}, author = {Maity, Jayeta and Bhattacharjee, Gourab and Satpati, Biswarup and Sardar, Debasmita and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {46342, title = {Differential dynamics underlying the Gln27Glu population variant of the beta(2)-adrenergic receptor}, journal = {Journal of Membrane Biology}, volume = {252}, year = {2019}, month = {OCT}, pages = {499-507}, type = {Article}, abstract = {

The beta (2)-adrenergic receptor (beta (2)AR) is a membrane-bound G-protein-coupled receptor and an important drug target for asthma. Clinical studies report that the population variant Gln27Glu is associated with a differential response to common asthma drugs, such as albuterol, isoproterenol and terbutaline. Interestingly, the 27th amino acid is positioned on the N-terminal region that is the most flexible and consequently the least studied part of the receptor. In this study, we probe the molecular origin of the differential drug binding by performing structural modeling and simulations of the wild-type (Gln) and variant (Glu) receptors followed by ensemble docking with the ligands, albuterol, isoproterenol and terbutaline. In line with clinical studies, the ligands were observed to interact preferentially with the Glu variant. Our results indicate that the Glu residue at the 27th position perturbs the network of electrostatic interactions that connects the N-terminal region to the binding site in the wild-type receptor. As a result, the Glu variant is observed to bind better to the three ligands tested in this study. Our study provides a structural basis to explain the variable drug response associated with the 27th position polymorphism in the beta (2)AR and is a starting step to identify genotype-specific therapeutics.

}, keywords = {beta(2)-Adrenergic receptor, G-protein-coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {0022-2631}, doi = {10.1007/s00232-019-00093-2}, author = {Bhosale, Sumedha and Nikte, V. Siddhanta and Sengupta, Durba and Joshi, Manali} } @article {46190, title = {Direct solar-to-hydrogen generation by quasi-artificial leaf approach: possibly scalable and economical device}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {FEB}, pages = {3179-3189}, type = {Article}, abstract = {

Often, a disadvantage in one area of science may become an advantage in another area. In contrast, a successful concept in one area could work for a complementary area of research too. These two philosophies have been successfully used for solar hydrogen generation and they underscore the necessity to connect relevant concepts. We, herein, report a quasi-artificial leaf (QuAL) device in a wireless configuration with a TiO2/Mn-CdS composite and NiCu as a co-catalyst for possibly scalable as well as commercially viable solar hydrogen production under one sun conditions. The device works at no applied potential and generates 10.5 mL h(-1) (16 mL h(-1)) H-2 with Ni5Cu2.5 alloy (Pt) as a co-catalyst, which corresponds to a power conversion efficiency (PCE) of 4.8\% (7.3\%). The significant resemblance of NiCu alloy to Pt in terms of its electrochemical activity and electronic structure makes the device more economical. While the millisecond lifetime of electrons in Mn-CdS is known to help for white light emission, the same factor helps to greatly improve charge utilization for H-2 production in the QuAL device. In contrast, the reabsorption of emitted light is a vexing problem in emission applications; however in the present work, reabsorption is successfully utilized to enhance hydrogen yield. Spectroscopy techniques combined with electrocatalytic studies were employed and the results correlated with solar hydrogen generation, demonstrating this as a new pathway to design better solar-light-harvesting architectures.

}, issn = {2050-7488}, doi = {10.1039/c8ta11307f}, author = {Patra, Kshirodra Kumar and Bharad, Pradnya Arunrao and Jain, Vanshika and Gopinath, Chinnakonda S.} } @article {46197, title = {Direct Z-scheme g-C3N4/FeWO4 nanocomposite for enhanced and selective photocatalytic CO2 reduction under visible light}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {FEB }, pages = {6174-6183}, type = {Article}, abstract = {

Photocatalytic reduction of CO2 to renewable solar fuels is considered to be a promising strategy to simultaneously solve both global warming and energy crises. However, development of a superior photocatalytic system with high product selectivity for CO2 reduction under solar light is the prime requisite. Herein, a series of nature-inspired Z-scheme g C3N4/FeWO4 composites are prepared for higher performance and selective CO2 reduction to CO as solar fuel under solar light. The novel direct Z-scheme coupling of the visible light-active FeWO4 nanoparticles with C3N4 nanosheets is seen to exhibit excellent performance for CO production with a rate of 6 mu mol/g/h at an ambient temperature, almost 6 times higher compared to pristine C3N4 and 15 times higher than pristine FeWO4. More importantly, selectivity for CO is 100\% over other carbon products from CO, reduction and more than 90\% over. H-2 products from water splitting. Our results clearly demonstrate that the staggered band structure between FeWO4 and C3N4 reflecting the nature-inspired Z-scheme system not only favors superior spatial separation of the electron hole pair in g-C3N4/FeWO4 but also shows good reusability. The present work provides unprecedented insights for constructing the direct Z-scheme by mimicking the nature for high performance and selective photocatalytic CO2 reduction into solar fuels under solar light.

}, keywords = {C3N4, CO2 reduction, FeWO4, Photocatalysis, solar fuels, Z-scheme}, issn = {1944-8244}, doi = {10.1021/acsami.8b22434}, author = {Bhosale, Reshma and Jain, Srashti and Vinod, Chathakudath Prabhakaran and Kumar, Santosh and Ogale, Satishchandra} } @article {46014, title = {Effect of copper contamination on zooplankton epidemics}, journal = {Journal of Theoretical Biology}, volume = {469}, year = {2019}, month = {MAY}, pages = {61-74}, type = {Article}, abstract = {

Infectious disease and chemical contamination are increasingly becoming vital issues in many ecosystems. However, studies integrating the two are surprisingly rare. Contamination not only affects the inherent host-resource interaction which influences the epidemic process but may also directly affect epidemiological traits via changes in host{\textquoteright}s behaviour. The fact that heavy metal such as copper is also an essential trace element for organisms, further increase complexity which make predicting the resultant effect of contamination and disease spread difficult. Motivated by this, we model the effect of copper enrichment on a phytoplankton-zooplankton-fungus system. We show that extremely deficient or toxic copper may have a destabilizing effect on the underlying host-resource dynamics due to increased relative energy fluxes as a result of low host mortality due to fish predation. Further, on incorporating disease into the system, we find that the system can become disease-free for an intermediate range of copper concentration whereas it may persist for very less copper enrichment. Also, we predict that there may exist vulnerable regions of copper concentration near the toxic and deficient levels, where the parasite can invade the system for a comparatively lower spore yield. Overall, our results demonstrate that, the effect of contamination may be fundamental to understanding disease progression in community ecology. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Bistability, Chemical contamination, Daphnia-parasite, Hormesis, Host-resource}, issn = {0022-5193}, doi = {10.1016/j.jtbi.2019.02.016}, author = {Banerjee, Swarnendu and Sarkar, Ram Rup and Chattopadhyay, Joydev} } @article {46138, title = {Efficient broad-band emission from contorted purely corner-shared one dimensional (1D) organic lead halide perovskite}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {APR }, pages = {2253-2257}, type = {Article}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.9b00069}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Shaikh, Samir R. and Shinde, Aparna and Lohar, Amruta and Jena, Satyam and Gonnade, Rajesh G. and Kundu, Janardan} } @article {46180, title = {Efficient synergetic combination of H-USY and SnO2 for direct conversion of glucose into ethyl levulinate (Biofuel Additive)}, journal = {Energy \& Fuels}, volume = {33}, year = {2019}, month = {MAR}, pages = {2319-2327}, type = {Article}, abstract = {

Ethyl levulinate (EL), a biofuel additive for petroleum and biodiesel can also be used as a 100\% fuel to replace petroleum diesel with the existing diesel engine. The major problem to make the EL process economical is the lack of a proper conversion technology to convert C-6 sugars such as glucose with higher yield of EL as well as process which can tolerate higher glucose concentration to increase productivity. The present study highlighted the catalytic synthesis of EL from glucose over synergetic combination of zeolite H-USY and Lewis acidic catalysts such as Sn-beta, TiO2, ZrO2, and SnO2. Because of the strong Lewis acidic nature and the subsequent enhancement in the isomerization rate from glucosides to fructosides, the synergetic combination of H-USY with SnO2 showed higher EL yield than the combination with other Lewis acidic catalysts. So far, the highest EL yield of 81\% from glucose (50 g/L) at 180 degrees C in 3 h was achieved over the optimal combination of 95\% H-USY and 5\% SnO2 having strong/weak acidity and B/L ratios of 1.30 and 0.75, respectively. The study was further extended for establishing the proposed reaction mechanism without the formation of 5-hydroxymethyl furfural, levulinic acid, and formic acid which makes the overall process clean and green.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.8b04395}, author = {Heda, Jidnyasa and Niphadkar, Prashant and Bokade, Vijay} } @article {46446, title = {Electrocatalysis of oxygen reduction reaction on shape-controlled pt and pd nanoparticles-importance of surface cleanliness and reconstruction}, journal = {Frontiers in Chemistry}, volume = {7}, year = {2019}, month = {OCT}, pages = {648}, type = {Review}, abstract = {

Shape-controlled precious metal nanoparticles have attracted significant research interest in the recent past due to their fundamental and scientific importance. Because of their crystallographic-orientation-dependent properties, these metal nanoparticles have tremendous implications in electrocatalysis. This review aims to discuss the strategies for synthesis of shape-controlled platinum (Pt) and palladium (Pd) nanoparticles and procedures for the surfactant removal, without compromising their surface structural integrity. In particular, the electrocatalysis of oxygen reduction reaction (ORR) on shape-controlled nanoparticles (Pt and Pd) is discussed and the results are analyzed in the context of that reported with single crystal electrodes. Accepted theories on the stability of precious metal nanoparticle surfaces under electrochemical conditions are revisited. Dissolution, reconstruction, and comprehensive views on the factors that contribute to the loss of electrochemically active surface area (ESA) of nanoparticles leading to an inevitable decrease in ORR activity are presented. The contribution of adsorbed electrolyte anions, in-situ generated adsorbates and contaminants toward the ESA reduction are also discussed. Methods for the revival of activity of surfaces contaminated with adsorbed impurities without perturbing the surface structure and its implications to electrocatalysis are reviewed.

}, keywords = {Adsorption, Dissolution, oxygen reduction reaction, Palladium, platinum, reconstruction, shape-control, surface cleaning}, issn = {2296-2646}, doi = {10.3389/fchem.2019.00648}, author = {Devivaraprasad, Ruttala and Nalajala, Naresh and Bera, Bapi and Neergat, Manoj} } @article {46253, title = {Electron crystallography}, journal = {IUCRJ}, volume = {6}, year = {2019}, month = {SEP}, pages = {786-787}, type = {Article}, doi = {10.1107/S2052252519011497}, author = {Blake, Alexander J. and de Boissieu, Marc and Nangia, Ashwini} } @article {46090, title = {Embedding S=1/2 Kagome-like lattice in reduced graphene oxide}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {JUN }, pages = {2663-2668}, type = {Article}, abstract = {

An elegant platform to explore frustrated magnetism is the kagome spin lattice. In this work, clinoatacamite, a naturally occurring S = 1/2 kagome-like antiferromagnetic insulator, is synthesized in water at ambient pressure for the first time from a cuprous chloride (CuCl) precursor whereby Cu(I) was spontaneously oxidized to Cu(II) in the form of clinoatacamite [Cu-2(OH)(3)Cl] with a simultaneous reduction of graphene oxide (GO) to reduced graphene oxide (rGO) in one pot. A stable nanocomposite of phase-pure clinoatacamite nanocrystals embedded in the rGO matrix was isolated. The clinoatacamite-rGO nanocomposite was determined to be magnetically active with a markedly enhanced coercive field of similar to 2500 Oe at S K as well as electronically active with a conductivity value of similar to 200 S.m(-1) at 300 K. Our results illustrate an avenue of combining exotic magnetic and electronic lattices without impeding their individual characteristics and synergistically generating a new class of magnetic semiconductors.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00839}, author = {Gupta, Kriti and Jha, Plawan Kumar and Dadwal, Arun and Debnath, Anil K. and Jaiswal, Ishan and Rana, Shammi and Joy, Pattayil A. and Ballav, Nirmalya} } @article {45576, title = {Enhanced energy density and stability of self-assembled cauliflower of Pd doped monoclinic WO3 nanostructure supercapacitor}, journal = {Materials Chemistry and Physics}, volume = {225}, year = {2019}, month = {MAR}, pages = {192-199}, type = {Article}, abstract = {Enhanced electrochemical performance of WO3 nanostructures by engineering their morphology, structural and surface defect at nanoscale is feasible. Herein we report the effect of Pd doping on the morphological and electrochemical properties of WO3 at nanoscale prepared by a simple hydrothermal method. The synthesized pristine WO3 (cabbage like morphology) and Pd doped WO3 (cauliflower like morphology) are examined by using XRD, XPS, Raman spectra, BET, FE-SEM, TEM. The morphological investigation shows the effective rebuilding of nanosheets assembled cabbage shaped pristine WO3 into nanobricks assembled cauliflower shaped Pd doped WO3 with improvement in crystallinity, surface area and conductivity. As a result, the enhancement in the electrochemical performance of cauliflower shaped Pd-WO3 is recorded four times higher specific capacitance than pristine WO3. Additionally, the excellent cyclic stability (almost ten times higher than pristine WO3) up to 1100 cycles with nearly 86.95\% capacity retention is observed in Pd-WO3 attributed to Pd content and highly modified structural arrangement.}, doi = {10.1016/j.matchemphys.2018.12.077}, author = {Gupta, S. P. and Patil, V. B. and Tarwal, N. L. and Bhame, S. D. and Gosavi, S. W. and Mulla, I. S. and Late, D. J. and Suryavanshi, S. S. and Walke, P. S.} } @article {46147, title = {Epoxidation of karanja (Millettia pinnata) oil methyl esters in the presence of hydrogen peroxide over a simple niobium-containing catalyst}, journal = {Catalysts}, volume = {9}, year = {2019}, month = {APR}, pages = {344}, type = {Article}, abstract = {

The synthesis, characterization and catalytic performance of a conceptually simple, novel NbOx-SiO2 catalyst are here described. The niobium(V)-silica catalyst was prepared starting from cheap and viable reactants, by alkaline deposition of NH4Nb(C2O4)(2)H2O in the presence of fructose as a stabilizer and subsequent calcination. The NbOx-SiO2 solid (0.95 Nb wt.\%) was tested in the liquid-phase epoxidation with aqueous hydrogen peroxide of methyl oleate, as a model substrate. It was then tested in the epoxidation of a mixture of methyl esters (FAMEs) obtained by transesterification with methanol and purification of karanja oil, extracted from the autochthonous Indian variety of Millettia pinnata tree. The catalyst showed a promising performance in terms of methyl oleate conversion (up to 75\%) and selectivity to epoxide (up to 82\%). It was then tested on the FAME mixture from karanja oil, where interesting conversion values were attained (up to 70\%), although with lower selectivities and yields to the mixture of desired epoxidized FAMEs. The solid withstood four catalytic cycles overall, during which a non-negligible surface reorganization of the Nb(V) sites was observed. However, this restructuring did not negatively affect the performance of the catalysts in terms of conversion or selectivity.

}, keywords = {epoxidation, fatty acid methyl esters, heterogeneous catalysis, Hydrogen peroxide, karanja oil, mesoporous silica catalyst, Millettia pinnata, niobium catalysts}, issn = {2073-4344}, doi = {10.3390/catal9040344}, author = {Scotti, Nicola and Ravasio, Nicoletta and Evangelisti, Claudio and Psaro, Rinaldo and Penso, Michele and Niphadkar, Prashant S. and Bokade, Vijay V. and Guidotti, Matteo} } @article {46279, title = {"EviMass": A literature evidence-based miner for human microbial associations}, journal = {Frontiers in Genetics}, volume = {10}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

The importance of understanding microbe-microbe as well as microbe-disease associations is one of the key thrust areas in human microbiome research. High-throughput metagenomic and transcriptomic projects have fueled discovery of a number of new microbial associations. Consequently, a plethora of information is being added routinely to biomedical literature, thereby contributing toward enhancing our knowledge on microbial associations. In this communication, we present a tool called "EviMass" (Evidence based mining of human Microbial Associations), which can assist biologists to validate their predicted hypotheses from new microbiome studies. Users can interactively query the processed back-end database for microbe-microbe and disease-microbe associations. The EviMass tool can also be used to upload microbial association networks generated from a human "disease-control" microbiome study and validate the associations from biomedical literature. Additionally, a list of differentially abundant microbes for the corresponding disease can be queried in the tool for reported evidences. The results are presented as graphical plots, tabulated summary, and other evidence statistics. EviMass is a comprehensive platform and is expected to enable microbiome researchers not only in mining microbial associations, but also enriching a new research hypothesis. The tool is available free for academic use at https://web.rniapps.net/evimass.

}, doi = {10.3389/fgene.2019.00849}, author = {Srivastava, Divyanshu and Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {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 {46225, title = {Exploring energy profiles of protein-protein interactions (PPIs) Using DFT method}, journal = {Letters in Drug Design \& Discovery}, volume = {16}, year = {2019}, month = {JUN}, pages = {670-677}, type = {Article}, abstract = {

Background: Large-scale energy landscape characterization of protein-protein interactions (PPIs) is important to understand the interaction mechanism and protein-protein docking methods. The experimental methods for detecting energy landscapes are tedious and the existing computational methods require longer simulation time.

Objective: The objective of the present work is to ascertain the energy profiles at the interface regions in a rapid manner to analyze the energy landscape of protein-protein interactions

Methods: The atomic coordinates obtained from the X-ray and NMR spectroscopy data are considered as inputs to compute cumulative energy profiles for experimentally validated protein-protein complexes. The energies computed by the program were comparable to the standard molecular dynamics simulations.

Results: The PPI Profiler not only enables rapid generation of energy profiles but also facilitates the detection of hot spot residue atoms involved therein.

Conclusion: The hotspot residues and their computed energies matched with the experimentally determined hot spot residues and their energies which correlated well by employing the MM/GBSA method. The proposed method can be employed to scan entire proteomes across species at an atomic level to study the key PPI interactions.

}, doi = {10.2174/1570180815666180815151141}, author = {Bapat, Sanket and Vyas, Renu and Karthikeyan, Muthukumarasamy} } @article {46142, title = {External oxidant-dependent reactivity switch in copper-mediated intramolecular carboamination of alkynes: access to a different class of fluorescent ionic nitrogen-doped polycyclic aromatic hydrocarbons}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {APR }, pages = {4120-4130}, type = {Article}, abstract = {

An interesting case of external oxidant-controlled reactivity switch leading to a divergent set of ionic nitrogen-doped polycyclic aromatic hydrocarbons (N-doped PAHs), is presented here, which is quite unrecognized in copper-mediated reactions. In the current scenario, from the same pyridino-alkyne substrates, the use of the external oxidant Ph1(0Ac)2, in combination with Cu(OTf)(2), gave N-doped spiro-PAHs via a dearomative 1,2-carboamination process; whereas, without the use of oxidant, an alkyne/azadiene [4 + 2]-cycloaddition cascade occurred to exclusively afford ionic N-doped PAHs. These newly synthesized N-doped PAHs further exhibit tunable emissions, as well as excellent quantum efficiencies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b00120}, author = {Shaikh, Aslam C. and Banerjee, Somsuvra and Mule, Ravindra D. and Bera, Saibal and Patil, Nitin T.} } @article {46132, title = {Fe(III)-Catalyzed diastereoselective friedel-crafts alkylation-hemiketalization-lactonization cascade for the synthesis of polycyclic bridged 2-chromanol lactones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {APR }, pages = {2629-2633}, type = {Article}, abstract = {

An unprecedented Fe(III)-catalyzed Friedel-rafts alkylation-hemiketalization-lactonization cascade of electron-rich hydroxy arenes and distinctively functionalized unsaturated 4-keto esters is developed for the construction of polycyclic bridged 2-chromanol lactones. Following this simple and facile protocol, a broad range of products was prepared in good to excellent yields as a single diastereomer. An unusual conglomerate (enantiomerically pure polymorph) of 3ac is reported along with the absolute stereochemistry, and the remaining products were rigorously confirmed by single-crystal X-ray analysis and analogy.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b00614}, author = {Borade, Balasaheb R. and Nomula, Rajesh and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {46246, title = {Fickian yet non-Gaussian behaviour: A dominant role of the intermittent dynamics (vol 146, 134504, 2017)}, journal = {Journal of Chemical Physics}, volume = {151}, year = {2019}, month = {AUG}, type = {Article}, doi = {10.1063/1.5120313}, author = {Acharya, Sayantan and Nandi, Ujjwal Kumar and Bhattacharyya, Sarika Maitra} } @article {46017, title = {Fine-tuning of Terahertz resonances in hydrogen-bonded organic molecular complexes}, journal = {Journal of Molecular Structure}, volume = {1184}, year = {2019}, month = {MAY}, pages = {495-502}, type = {Article}, abstract = {

Novel organic molecular complexes have been designed and synthesized to obtain prominent Terahertz (THz) resonances in the low-frequency region. Intermolecular hydrogen bonds give rise to low-frequency THz resonances and hence binary organic molecular complexes of pyridyl alkylamide/benzamide (DAP) and hexyl thymine (C6THY) with multiple strong intermolecular hydrogen bonds (N-H{\textendash}-O and N-H{\textendash}-N) are designed and synthesized. THz resonances of the complexes are fine-tuned by varying the number of benzene rings in the DAP moiety (PrDAP + C6THY, PrPhDAP + C6THY and PhDAP + C6THY). DFT simulation studies of two molecule clusters have been carried out to understand the origin of low-frequency THz resonances. It has been observed that the lowest THz resonances (\< 2 THz) originate due to translation/rotation of the whole crystal structure and the resonances from 2 to 4 THz are mainly due to intermolecular hydrogen bond bending/stretching vibrations. In order to understand the individual hydrogen bond strengths, compliance constants, which are inverse of the force constants are calculated and Natural Bond Orbital (NBO) analysis has been carried out. Comparison of the experimental THz spectra of different complexes shows that there is a small but tunable variation in THz resonances from one complex to another. Tuning of THz resonances has potential applications in designing THz tags, which can be used in various anti-counterfeiting applications such as currency notes, pharmaceutical tablets. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Compliance constant, Natural bond orbital analysis, Organic molecular complex, Terahertz spectroscopy}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.02.002}, author = {Dash, Jyotirmayee and Ray, Shaumik and Devi, Nirmala and Basutkar, Nitin and Ambade, Ashootosh V. and Pesala, Bala} } @article {45475, title = {Flocculation of kaolin from aqueous suspension using low dosages of acrylamide-based cationic flocculants}, journal = {Journal of Applied Polymer Science}, volume = {136}, year = {2019}, month = {APR}, pages = {Article Number: 47286}, type = {Article}, abstract = {

Flocculation of kaolin from aqueous streams has become very important in view of its wide range of applications. In this work, cationic flocculants based on copolymers of acrylamide (AM) and 3-acrylamidopropyltrimethylammonium chloride (APTMAC) were synthesized with two different mole ratios of monomers, 80 mol \% of AM (CP-8020) and 40 mol \% of AM (CP-4060). The chemical structures of copolymers were confirmed by H-1 and carbon-13 nuclear magnetic resonance (C-13 NMR) spectroscopy. The molecular weight (MW) and zeta potential of the copolymers were determined. High MW was obtained for copolymer with high content of AM (CP-8020) and high zeta potential was observed for copolymer with high content of APTMAC (CP-4060). Flocculation of kaolin suspension was performed using both CP-8020 and CP-4060 and the flocculation was correlated to the zeta potential and MW of the copolymers. The optimum dosages of flocculants were determined. The mechanism of flocculation was discussed in terms of charge neutralization and bridging. The flocs of kaolin were characterized in terms of moisture content and size. To the best of our knowledge, this copolymer system was used for the first time for kaolin flocculation and found out to be efficient. (c) 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47286.

}, keywords = {copolymers, hydrophilic polymers, polyelectrolytes}, issn = {0021-8995}, doi = {10.1002/app.47286}, author = {Suresha, P. R. and Badiger, Manohar V.} } @article {46054, title = {Flower bud proteome reveals modulation of sex-biased proteins potentially associated with sex expression and modification in dioecious Coccinia grandis}, journal = {BMC Plant Biology}, volume = {19}, year = {2019}, month = {JUL}, pages = {330}, type = {Article}, abstract = {

BackgroundDioecy is an important sexual system wherein, male and female flowers are borne on separate unisexual plants. Knowledge of sex-related differences can enhance our understanding in molecular and developmental processes leading to unisexual flower development. Coccinia grandis is a dioecious species belonging to Cucurbitaceae, a family well-known for diverse sexual forms. Male and female plants have 22A+XY and 22A+XX chromosomes, respectively. Previously, we have reported a gynomonoecious form (22A+XX) of C. grandis bearing morphologically hermaphrodite flowers (GyM-H) and female flowers (GyM-F). Also, we have showed that foliar spray of AgNO3 on female plant induces morphologically hermaphrodite bud development (Ag-H) despite the absence of Y-chromosome.ResultsTo identify sex-related differences, total proteomes from male, female, GyM-H and Ag-H flower buds at early and middle stages of development were analysed by label-free proteomics. Protein search against the cucumber protein sequences (Phytozome) as well as in silico translated C. grandis flower bud transcriptome database, resulted in the identification of 2426 and 3385 proteins (FDR \<= 1\%), respectively. The latter database was chosen for further analysis as it led to the detection of higher number of proteins. Identified proteins were annotated using BLAST2GO pipeline. SWATH-MS-based comparative abundance analysis between Female_Early_vs_Male_Early, Ag_Early_vs_Female_Early, GyM-H_Middle_vs_Male_Middle and Ag_Middle_vs_ Male_Middle led to the identification of 650, 1108, 905 and 805 differentially expressed proteins, respectively, at fold change \>= 1.5 and P \<= 0.05. Ethylene biosynthesis-related candidates as highlighted in protein interaction network were upregulated in female buds compared to male buds. AgNO3 treatment on female plant induced proteins related to pollen development in Ag-H buds. Additionally, a few proteins governing pollen germination and tube growth were highly enriched in male buds compared to Ag-H and GyM-H buds.ConclusionOverall, current proteomic analysis provides insights in the identification of key proteins governing dioecy and unisexual flower development in cucurbitaceae, the second largest horticultural family in terms of economic importance. Also, our results suggest that the ethylene-mediated stamen inhibition might be conserved in dioecious C. grandis similar to its monoecious cucurbit relatives. Further, male-biased proteins associated with pollen germination and tube growth identified here can help in understanding pollen fertility.

}, keywords = {Coccinia grandis, Dioecy, Pollen fertility, proteomics, Sex modification, Stamen arrest}, issn = {1471-2229}, doi = {10.1186/s12870-019-1937-1}, author = {Devani, Ravi Suresh and Chirmade, Tejas and Sinha, Sangram and Bendahmane, Abdelhafid and Dholakia, Bhushan B. and Banerjee, Anjan Kumar and Banerjee, Jayeeta} } @article {46215, title = { Freestanding borophene and Its hybrids }, journal = {Advanced Materials}, volume = {31}, year = {2019}, month = {JULY}, type = {Article}, abstract = {

Borophene, an elemental metallic Dirac material is predicted to have unprecedented mechanical and electronic character. Need of substrate and ultrahigh vacuum conditions for deposition of borophene restricts its large-scale applications and significantly hampers the advancement of research on borophene. Herein, a facile and large-scale synthesis of freestanding atomic sheets of borophene through a novel liquid-phase exfoliation and the reduction of borophene oxide is demonstrated. Electron microscopy confirms the presence of beta(12), X-3, and their intermediate phases of borophene; X-ray photoelectron spectroscopy, and scanning tunneling microscopy, corroborated with density functional theory band structure calculations, validate the phase purity and the metallic nature. Borophene with excellent anchoring capabilities is used for sensing of light, gas, molecules, and strain. Hybrids of borophene as well as that of reduced borophene oxide with other 2D materials are synthesized, and the predicted superior performance in energy storage is explored. The specific capacity of borophene oxide is observed to be approximate to 4941 mAh g(-1), which significantly exceeds that of existing 2D materials and their hybrids. These freestanding borophene materials and their hybrids will create a huge breakthrough in the field of 2D materials and could help to develop future generations of devices and emerging applications.

}, doi = { 10.1002/adma.201900353}, author = {Ranjan, Pranay and Sahu, Tumesh Kumar and Bhushan, Rebti and Yamijala, Sharma S. R. K. C. and Late, Dattatray J and Kumar, Prashant and Vinu, Ajayan} } @article {45518, title = {Gold-catalyzed 1,2-oxyalkynylation of N-Allenamides with ethylnylbenziodoxolones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {JAN}, pages = {180-184}, type = {Article}, abstract = {

A gold-catalyzed 1,2-oxyalkynylation of N-allenamides with ethylnylbenziodoxolones (EBXs) has been achieved for the first time. The reaction, which follows a redox-neutral Au(I)/Au(III) catalytic pathway, was enabled in an attempt to exhaust the EBX reagents atom-economically by putting the nucleophilic carboxylate part of EBXs to appropriate use. This constitutes the first example for gold-catalyzed beta-alkynylation of N-allenamides to construct highly valuable 1,3-enynes. The potential of the sequence is further documented by some follow-up transformations.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b03651}, author = {Banerjee, Somsuvra and Senthilkumar, Beeran and Patil, Nitin T.} } @article {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 {45519, title = {Gold(I)-catalyzed hydroxy group assisted C(sp(2))-H alkylation of enaminones with diazo compounds to access 3-alkyl chromones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {JAN }, pages = {335-339}, type = {Article}, abstract = {

A strategy for expedient synthesis of 3-substituted chromones from easily available o-hydroxyarylenaminones and diazo compounds has been developed. Carefully conducted experimental and computational studies led us to propose an uncommon mechanistic pathway involving the hydroxyl group assisted alkylation of enaminones with in situ generated gold carbenes.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b03989}, author = {Bagle, Pradip N. and Mane, Manoj V. and Sancheti, Shashank P. and Gade, Amol B. and Shaikh, Samir R. and Baik, Mu-Hyun and Patil, Nitin T.} } @article {46040, title = {Graphene nanosheets assisted carbon hollow cylinder for high-performance field emission applications}, journal = {Materials Research Express}, volume = {6}, year = {2019}, month = {SEP}, pages = {095066}, type = {Article}, abstract = {

Electron sources are critical constituents for myriad many electronic applications including electron imaging, mass spectroscopy etc. Here, we report the realization of high-performance field emission from graphene assisted carbon hollow cylinders (Gr-CHCs) composed of multi-stacked radially aligned CNTs. These CHCs have built-in synthesis related Fe nanoparticles (NPs). This engineered nano-structure exhibits excellent field emission properties such as one of the ultra-low turn-on field (0.64V mu m(-1) at 10 mu A cm(-2)), low threshold field (0.74V mu m(-1) at 100 mu A cm(-2)), very high current density (15.49 mA cm(-2) at 1.32V mu m(-1)) which is nearly double the current density obtained in our previous study. High field enhancement factor (0.72. x. 10(4)) with highly stable emission current at 100 mu A was observed for more than 3 hrs at the base pressure of similar to 1. x. 10(-8) mbar. This study suggests an approach to enhance the current density using the proposed innovative nanostructure and forms the basic theme of this communication. Highly efficient and stable field emissions observed are attributed to the geometry of cylinder and the production of the high density of sharp protrusions within the graphene sheets which enhance the local electric field and dramatically enhance field emission. This innovative cylindrical geometry associated with graphene assisted on Fe bearing aligned CNTs along with the periphery of the bulk cylinder provides an easy injection of electrons from the conduction band of CHCs into the vacuum in the presence of an external electric field. The tunability of field emission properties of these CHCs can be easily achieved by tailoring their diameter (10 and 20 mm) and different concentrations of the precursor. This new approach of the graphene assisted cylindrical geometry-based field emitter source provides enormous prospects and demand for next-generation high resolutions display devices.

}, keywords = {Carbon nanotubes, field emission, graphene assisted carbon hollow cylinder, protrusions}, issn = {2053-1591}, doi = {10.1088/2053-1591/ab3030}, author = {Tripathi, Prashant and Gupta, Bipin Kumar and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J. and Srivastava, Onkar Nath} } @article {46179, title = {Graphene-modified electrodes for sensing doxorubicin hydrochloride in human plasma}, journal = {Analytical and Bioanalytical Chemistry}, volume = {411}, year = {2019}, month = {MAR}, pages = {1509-1516}, type = {Article}, abstract = {

Doxorubicin (DOX), an anthracycline molecule, is currently one of the most widely used anticancer drugs in clinics. Systematic treatment of patients with DOX is known to be accompanied by several unpleasant side effects due to the toxicity of the drug. Thus, monitoring of DOX concentration in serum samples has become increasingly important to avoid side effects and ensure therapeutic efficiency. In this study, we discuss the construction of a disposable electrochemical sensor for the direct monitoring of DOX in clinical blood samples. The sensor is based on coating a gold electrode in a flexible integrated electrode construct formed on polyimide sheets using photolithography, with nitrogen-doped reduced graphene oxide (N-rGO) suspended in chitosan. Under optimized conditions, a linear relationship between the oxidative peak current and the concentration of DOX in the range of 0.010-15M with a detection limit of 10nM could be achieved. The sensor was adapted to monitor DOX in serum samples of patients under anticancer treatment.

}, keywords = {Disposable electrodes, doxorubicin, Nitrogen-doped reduced graphene oxide, Serum}, issn = {1618-2642}, doi = {10.1007/s00216-019-01611-w}, author = {Chekin, Fereshteh and Myshin, Vladyslav and Ye, Ran and Melinte, Sorin and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {46328, title = {Hemiketal-keto tautomerism in 2-deoxy-delta-lactones mediated by 2-lithiothiazole in solution state: a formal synthesis of DAH, Kamusol and their C-5 Epimers}, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

The reactions of 2-lithiothiazole on 3,4,6-tri-O-benzyl-2-deoxyglyconolactones have been studied, which resulted in the formation of two products, major (3,4,6-tri-O-benzyl-2-deoxy-1-(2-thiazolyl) glycal) and minor products 3,4,6-tri-O-benzyl-2-deoxy-1-(2-thiazolyl) glycal hemiketal. The hemiketal-keto tautomerism in solution was observed in the minor product. The tautomerism has been studied in various organic solvents and their ratios have been determined by H-1 NMR spectroscopy. The major product from the reaction of 2-lithiothiazole with 2-deoxygluconolactone was utilized for the synthesis of 3-deoxy-D-arabino-2-heptulosonic acid DAH 4 a and 3-deoxy-D-arabino-2-heptulopyranose commonly known natural product kamusol 6 a via acid catalyzed hydration followed by stereoselective methyl glycoside bond formation. Similarly, major product from 2-deoxygalactonolactone furnished 5-epi-DAH 4 b (C-5 epimer of 4 a) and 5-epi-kamusol 6 b (C-5 epimer of 6 a). The minor product has also been utilized for the synthesis of DAH 4 a, 5-epi-DAH 4 b, kamusol 6 a and 5-epi-kamusol 6 b through a common intermediate, alpha-methyl glycosylated product.

}, keywords = {hemiketals, Ketones, tautomerism, thiazoles, umpolung}, issn = {2193-5807}, doi = {10.1002/ajoc.201900407}, author = {Chand, Hemender R. and Bhattacharya, Asish K.} } @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 {45622, title = {Highly frustrated liquid crystal phases in optically active dimers: synthesis and rich phase transitional behavior}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {JAN}, pages = {2148-2162 }, type = {Article}, abstract = {Herein we report on the synthesis and characterization of four new series of optically active, nonsymmetric dimers in which cholesterol is covalently linked to a Schiff base core through an ω-oxyalkanoyl spacer. While the Schiff base core is substituted with n-butyloxy, n-hexyloxy, n-octyloxy, n-decyloxy and n-dodecyloxy tails, three even-parity spacers, namely, 4-oxybutanoyl, 6-oxyhexanoyl, 8-oxyoctanoyl, and an odd-parity spacer, namely, 5-oxypentanoyl, have been used to join the two cores. The experimental results show that the length and parity of the spacer and the length of the terminal tail play a vital role in deciding the phase sequences of the dimers. In general, the dimers possessing an even-parity spacer display enantiotropic LC phases such as chiral nematic (N*), twist grain boundary (TGB), smectic A (SmA), chiral smectic C (SmC*) and twist grain boundary phase with SmC* slabs (TGBC*). Some of these dimers display TGBC* over a wide temperature range. The dimers with an odd-parity (5-oxypentanoyl) spacer display, unlike their even-membered counterparts, blue phases (BPIII/II/I); besides, they stabilize N* and/or unknown smectic (SmX) phases. The circular dichroism (CD) measurements were carried out as a function of temperature on the planar texture formed by three even-membered dimers and an odd-membered dimer. The occurrence of a strong negative CD band in the N* phase of the even-membered dimers suggests a left-handed screw sense of the macroscopic helical structure, and the scenario is opposite in the case of an odd-membered dimer.}, doi = {10.1039/C8NJ03520B}, author = {Nayak, R. A. and Bhat, S. A. and Shanker, G. and Rao, D. S. S. and Yelamaggad, C. V.} } @article {46441, title = {Hydrocarbon chain-length dependence of solvation dynamics in alcohol-based deep eutectic solvents: a two-dimensional infrared spectroscopic investigation}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {NOV}, pages = {9355-9363}, type = {Article}, abstract = {

Deep eutectic solvents (DESs) have gained popularity in recent years as an environmentally benign, inexpensive alternative to organic solvents for diverse applications in chemistry and biology. Among them, alcohol-based DESs serve as useful media in various applications due to their significantly low viscosity as compared to other DESs. Despite their importance as media, little is known how their solvation dynamics change as a function of the hydrocarbon chain length of the alcohol constituent. In order to obtain insights into the chain-length dependence of the solvation dynamics, we have performed two-dimensional infrared spectroscopy on three alcohol-based DESs by systematically varying the hydrocarbon chain length. The results reveal that the solvent dynamics slows down monotonically with an increase in the chain length. This increase in the dynamic timescales also shows a strong correlation with the concomitant increase in the viscosity of DESs. In addition, we have performed molecular dynamics simulations to compare with the experimental results, thereby testing the capacity of simulations to determine the amplitudes and timescales of the structural fluctuations on fast timescales under thermal equilibrium conditions.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08954}, author = {Chatterjee, Srijan and Ghosh, Deborin and Haldar, Tapas and Deb, Pranab and Sakpal, Sushil S. and Deshmukh, Samadhan H. and Kashid, Somnath M. and Bagchi, Sayan} } @article {46060, title = {Hydrodynamic cavitation using vortex diode: an efficient approach for elimination of pathogenic bacteria from water}, journal = {Journal of Environmental Management}, volume = {242}, year = {2019}, month = {JUL }, pages = {210-219}, type = {Article}, abstract = {

The present study successfully demonstrates greener methodology of hydrodynamic cavitation using rotational flows for disinfection of water. Disinfection of two model microbial strains-gram-negative (Escherichia colt) and gram-positive (Staphylococcus aureus) using vortex diode was evaluated. The removal efficacy was quantified for two different cavitation reactors. Practically complete elimination of E. coli was achieved (99\%) after 1 h of cavitation at a pressure drop of only 0.5 bar. However, elimination of S. aureus using vortex diode was observed to be lower in comparison to the removal of E. coli and only 60\% disinfection could be achieved under similar conditions, which can be subsequently enhanced up to 98\% by increasing pressure drop. The results were compared with another cavitating device that employs linear flow for cavitation, orifice. The reactor geometry has significant impact on the disinfection process and orifice was found to require significantly higher pressure drop (10 bar) conditions for disinfection and for eliminating grain-positive bacteria with high efficiency. A plausible mechanism for disinfection was proposed to elucidate the role of cavitation in cell destruction leading to death of cells through the rupture of cell wall, oxidative damage and possible DNA denaturation. Also, a cavitation model using per pass disinfection was developed that can provide meaningful physical description of the disinfection process as against the conventional first order reaction rate model. This study would provide meaningful insight into cavitation process based on hydrodynamic cavitation for the destruction of both gram-negative and gram-positive bacteria from various water sources, including industrial wastewaters.

}, keywords = {Cavitation, Disinfection, kinetics, pollution, Wastewater treatment}, issn = {0301-4797}, doi = {10.1016/j.jenvman.2019.04.057}, author = {Jain, Pooja and Bhandari, Vinay M. and Balapure, Kshama and Jena, Jyotsnarani and Ranade, Vivek V. and Killedar, Deepak J.} } @article {46348, title = {Imidazole-linked crystalline two-dimensional polymer with ultrahigh proton-conductivity}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {SEP}, pages = {14950-14954}, type = {Article}, abstract = {

Proton-exchange membrane fuel cells are promising energy devices for a sustainable future due to green features, high power density, and mild operating conditions. A facile proton-conducting membrane plays a pivotal role to boost the efficiency of fuel cells, and hence focused research in this area is highly desirable. Major issues associated with the successful example of Nafion resulted in the search for alternate proton conducting materials. Even though proton carrier loaded crystalline porous organic frameworks have been used for protonconduction, the weak host-guest interactions limited their practical use. Herein, we developed a crystalline 2D-polymer composed of benzimidazole units as the integral part, prepared by the condensation of aryl acid and diamine in polyphosphoric acid medium. The imidazole linked-2D-polymer exhibits ultrahigh proton conductivity (3.2 X 10(-2) S cm(-1)) (at 95\% relative humidity and 95 degrees C) in the pristine state, which is highest among the undoped porous organic frameworks so far reported. The present strategy of a crystalline proton-conducting 2D-polymer will lead to the development of new high performing crystalline solid proton conductor.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b06080}, author = {Ranjeesh, Kayaramkodath Chandran and Ilathvalappil, Rajith and Veer, Sairam Dnyaneshwar and Peter, Joseph and Wakchaure, Vivek Chandrakant and Goudappagouda and Raj, K. Vipin and Kurungot, Sreekumar and Babu, Sukumaran Santhosh} } @conference {47488, title = {Impedance analysis and equivalent circuit modelling of cells subjected to sinusoidal vibration test using electrochemical impedance spectroscopy}, booktitle = { 2019 IEEE Transportation Electrification Conference (ITEC-India)}, year = {2019}, month = {DEC}, publisher = {IEEE}, organization = {IEEE}, address = {Bengaluru, India}, abstract = {Electrochemical impedance spectroscopy is a multipurpose and non-destructive characterization technique in the analysis of electrochemical power sources such as Li-ion cells. The nyquist curve obtained by EIS spectrum of the cell gives information about its overall health. Curve fitting of the EIS nyquist plots further helps in determining the Equivalent Circuit Model (ECM) for a particular cell. In this paper commercial Li-ion cells from three different chemistries; Lithium Nickel Manganese Cobalt Oxide (NMC), Lithium Cobalt Oxide (LCO) and Lithium Iron Phosphate (LFP) are subjected to sinusoidal vibration test as per testing standard mentioned in United States Advanced Battery Consortium (USABC). The EIS measurement of the test cells have been carried out before and after the vibration tests. Curve fitting is carried out on the EIS plots and ECM for the cells is obtained. The components present in ECM and their actual values are estimated from the curve fitting analysis. The magnitude of various resistances like equivalent series resistance (R s ), charge transfer resistance (R ct ) and solid electrolyte interphase resistance (R sei ) is evaluated. This technique is also used in determining the capacitances inside the cell, mainly capacitance (C sei ) due to Solid Electrolyte Interphase layer (SEI) and capacitance due to double layer (C dl ) formation at electrode surface. The resistance in the cell is found to be increased and the capacitances values are decreased after vibration test. Bode plot for the cells are analysed and the overall change in the impedance of cell due to the vibration test is investigated as well. Scanning electron microscopy technique is used on cell electrodes, after vibration test, to validate the actual damage that took place within the cell. The study reveals that the EIS can be used as a non-destructive tool to check cell health after mechanical abuse.}, doi = {10.1109/ITEC-India48457.2019.ITECINDIA2019-232}, author = {Bangal, Ojas A. and Chaturvedi, Vikash and Babu, P. K. Ajeet and Shelke, Manjusha V.} } @article {47489, title = {Importance of conserving fragmented forest patches with high diversity of flowering plants in the northern Western Ghats: an example from Maharashtra, India}, journal = {Journal of Threatened Taxa }, volume = {11}, year = {2019}, month = {MAY}, pages = {13833-13849}, type = {Article}, abstract = {The northern Western Ghats (NWG) comprises of a patchy continuum of forests that have been severely fragmented mainly due to anthropogenic activities. We documented tree diversity within a representative fragmented forest patch of the NWG to study the effects of fragmentation on forest structure and composition. The floristic survey was conducted by replicated strip transect sampling method leading to a total sampling area of 0.3ha. A total of 444 individual trees (Girth>10cm) were sampled, which represented 49 tree species belonging to 42 genera and 23 families. Species richness per unit area and tree density were higher than previously reported values from similar forest type in various regions of NWG. These variations, however, could have resulted due to differences in the sampling area, sampling method, and girth classes used across different studies. Nevertheless, various diversity parameters such as N/S ratio, Simpson{\^a}{\texteuro}{\texttrademark}s index, Shannon{\^a}{\texteuro}{\texttrademark}s index, and Fisher{\^a}{\texteuro}{\texttrademark}s {\^I}{\textpm} index were comparable with those reported in previous studies in the Western Ghats. The observed species richness was close to species richness estimates such as abundance-based coverage estimate, Chao-1, and Jackknife estimators. The present study also enumerates 108 species of understory flowering plants, which is provided as a checklist. While access restrictions are imposed in protected areas having high conservation priority, such restrictions are not imposed in non-protected areas, which make them much more vulnerable to anthropogenic activities. Hence, this study recommends that owing to their high diversity, the fragmented forest patches of NWG should also be given high conservation priority.}, doi = {10.11609/jott.3296.11.7.13833-13849}, author = {Kasodekar, Amol and Jadhav, Amol Dilip and Bhagat, Rani and Pawar, Rakesh Mahadev and Gupta, Vidya Shrikant and Kadoo, Narendra} } @article {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 {46305, title = {In-situ generated Mn3O4-reduced graphene oxide nanocomposite for oxygen reduction reaction and isolated reduced graphene oxide for supercapacitor applications}, journal = {Carbon}, volume = {154}, year = {2019}, month = {DEC}, pages = {285-291}, type = {Article}, abstract = {

We have generated in situ nanocomposite of Mn3O4 and reduced graphene oxide (rGO) upon employing wet-chemical reduction of graphene oxide (GO) by Mn(II) salt as mild-reducing agent for the first time and examined the oxygen reduction reaction (ORR) activity in 0.1 M KOH electrolyte. The half-wave potential (E-1/2) of the nanocomposite catalyst (20\% Mn3O4-rGO/C) was found to be around -0.153 V which is only similar to 87 mV negative from the commercially available catalyst (20\% Pt/C). Remarkably, after 5000 linear sweep voltammetry cycles the E-1/2 shifted marginally by 20 mV; and the number of electrons transferred during ORR was estimated to be close to 4. Such an efficient electrocatalytic performance of the nanocomposite was primarily attributed to the synergistic interaction between Mn3O4 and rGO. The fabricated all-solid-state supercapacitor of rGO (extracted from the nanocomposite) in aqueous polyvinyl alcohol-sulfuric acid (PVA-H2SO4) gel polymer electrolyte (GPE) showed C-s value of similar to 310 F/g at a current density of 1 A/g along with long durability (10,000 charge-discharge cycles). All-solid-state flexible rGO supercapacitor exhibited high-flexibility and excellent durability (30,000 cycles with 100\% retention of C-s). Our results provide an enormous opportunity in designing transition metal oxides decorated semiconducting reduced graphene oxide nanocomposite platforms for various electrochemical applications. (C) 2019 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2019.08.012}, author = {Jha, Plawan Kumar and Kashyap, Varchaswal and Gupta, Kriti and Kumar, Vikash and Debnath, Anil Krishna and Roy, Debashree and Rana, Shammi and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {45500, title = {Integrative omics analysis in Pandanus odorifer (Forssk.) Kuntze reveals the role of Asparagine synthetase in salinity tolerance}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JAN }, pages = {Article Number: 932}, type = {Article}, abstract = {

Pandanus odorifer (Forssk) Kuntze grows naturally along the coastal regions and withstands salt-sprays as well as strong winds. A combination of omics approaches and enzyme activity studies was employed to comprehend the mechanistic basis of high salinity tolerance in P. odorifer. The young seedlings of P. odorifer were exposed to 1 M salt stress for up to three weeks and analyzed using RNAsequencing (RNAseq) and LC-MS. Integrative omics analysis revealed high expression of the Asparagine synthetase (AS) (EC 6.3.5.4) (8.95 fold) and remarkable levels of Asparagine (Asn) (28.5 fold). This indicated that salt stress promoted Asn accumulation in P. odorifer. To understand this further, the Asn biosynthesis pathway was traced out in P. odorifer. It was noticed that seven genes involved in Asn bisynthetic pathway namely glutamine synthetase (GS) (EC 6.3.1.2) glutamate synthase (GOGAT) (EC 1.4.1.14), aspartate kinase (EC 2.7.2.4), pyruvate kinase (EC 2.7.1.40), aspartate aminotransferase (AspAT) (EC 2.6.1.1), phosphoenolpyruvate carboxylase (PEPC) (EC 4.1.1.31) and AS were up-regulated under salt stress. AS transcripts were most abundant thereby showed its highest activity and thus were generating maximal Asn under salt stress. Also, an up-regulated Na+/H+ antiporter (NHX1) facilitated compartmentalization of Na+ into vacuoles, suggesting P. odorifer as salt accumulator species.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-37039-y}, author = {Rashmi, Deo and Barvkar, Vitthal T. and Nadaf, Altafhusain and Mundhe, Swapnil and Kadoo, Narendra Y.} } @article {46095, title = {Iodine-mediated oxidative rearrangement of alpha,beta-unsaturated diaryl ketones: a facile access to 1,2-diaryl diketones}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JUN}, pages = {9636-9644}, type = {Article}, abstract = {

A metal-free oxidative rearrangement was explored for the synthesis of 1,2-diaryl diketones by utilizing alpha, beta-unsaturated diaryl ketones and I-2/TBHP in good to high yields. The reaction proceeds via oxidative aryl migration, followed by C-C bond cleavage. A simple and high-yielding protocol was developed for the synthesis of a wide range of 1,2-diaryl diketones, which are the backbone for a variety of medicinally important molecules.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00833}, author = {Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {46192, title = {Ionic pyridinium-oxazole dyads: design, synthesis, and application in mitochondrial imaging}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB }, pages = {1766-1777}, type = {Article}, abstract = {

We recently developed an oxidative intramolecular 1,2-amino-oxygenation reaction, combining gold(I)/gold(III) catalysis, for accessing structurally unique ionic pyridinium-oxazole dyads (PODs) with tunable emission wavelengths. On further investigation, these fluorophores turned out to be potential biomarkers; in particular, the one containing -NMe2 functionality (NMe2-POD) was highly selective for mitochondrial imaging. Of note, because of mitochondria{\textquoteright}s involvement in early-stage apoptosis and degenerative conditions, tracking the dynamics of mitochondrial morphology with such imaging technology has attracted much interest. Along this line, we wanted to build a library of such PODs which are potential mitochondria trackers. However, Au/Selecfluor, our first-generation catalyst system, suffers from undesired fluorination of electronically rich PODs resulting in an inseparable mixture (1:1) of the PODs and their fluorinated derivatives. In our attempt to search for a better alternative to circumvent this issue, we developed a second-generation approach for the synthesis of PODs by employing Cu(II)/PhI(OAC)(2)-mediated oxidative 1,2-amino-oxygenation of alkynes. Thes newly synthesized PODs exhibit tunable emissions as well as excellent quantum efficiency up to 0.96. Further, this powerful process gives rapid access to a library of NMe2-PODs which are potential mitochondrial imaging agents. Out of the library, the randomly chosen POD-3g was studied for cell-imaging experiments which showed high mitochondrial specificity, superior photostability, and appreciable tolerance to microenvironment changes with respect to commercially available MitoTracker green.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02528}, author = {Shaikh, Aslam C. and Varma, Mokshada E. and Mule, Ravindra D. and Banerjee, Somsuvra and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {46316, title = {Kinetics of hydrogenation of aqueous levulinic acid over bimetallic Ru-Ni/MMT catalyst}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {OCT }, pages = {19803-19817}, type = {Article}, abstract = {

gamma-Valerolactone is one of the value-added products obtained from levulinic acid hydrogenation, having tremendous applications in fuels and chemicals. In this work, several monometallic and bimetallic compositions of Ru and Ni were prepared and evaluated for levulinic acid hydrogenation in an aqueous medium. The optimum composition of 0.5 wt \% Ru and 5 wt \% Ni on MMT was found to achieve 91\% levulinic acid conversion with complete selectivity to gamma-valerolactone within 5 h at 220 degrees C and 250 psig H-2 pressure. XPS and H-2-TPR studies clearly showed that the electronic interactions between Ru-Ni leading to the synergism enhanced the catalytic efficiency of the Ru-Ni bimetallic catalyst. The average metal particle size by HRTEM was found to be in the range of 1.5-4.5 nm, having mixed cubic, oval, and spherical morphology, dispersed on the surface as well as within the layers of MMT. NH3-TPD showed a higher acidity due to both Lewis and Bronsted sites of the 0.5 wt \% Ru-5 wt \% Ni/MMT catalyst than individual MMT and monometallic catalysts. The presence of higher Lewis acidic sites preferred selective formation of GVL. Reaction kinetics was studied to propose the rate equation for this reaction based on which a plausible reaction pathway is proposed involving a first step dehydration of levulinic acid to an alpha-angelica lactone intermediate which then undergoes hydrogenation by dissociatively adsorbed H-2 to form gamma-valerolactone. The stability of our catalyst was proved by its recycle studies as well as by a hot filtration test.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b03748}, author = {Kasar, Gayatri B. and Medhekar, Rucha S. and Bhosale, P. N. and Rode, V, Chandrashekhar} } @conference {47487, title = {Leukemia cancer detection using image analytics : (comparative study)}, booktitle = {2019 5th International Conference On Computing, Communication, Control And Automation (ICCUBEA)}, year = {2019}, month = {SEP}, publisher = {IEEE Xplore}, organization = {IEEE Xplore}, address = {Pune, India}, abstract = {Leukemia is a cancer of white blood cells (WBC). It can be fatal if not detected early. Microscopic images are studied by hematologists for detecting cancer. This manual detection becomes very tedious and time-consuming process. Leukemia if detected in earlier stages, can be cured. But traditional process causes late detection of cancerous cells. Hence in order to minimize the death caused due to late detection, an automated system can be used. This paper proposes an automated system which uses image analytics. Based on image analytics and classification algorithms performed on cell image samples of patients, the proposed system will give correct output. The dataset for experimentation is obtained from TCIA (The Cancer Imaging Archive) repository. The dataset is already pre-processed. An open source tool, "Orange-Data Mining" is used for predictions. In this comparative study, it was found that K-means clustering performs well for segmentation phase and also Neural Networks gives better results for classification phase. We have achieved AUC (area under curve) 0.865, Calculation accuracy (0.838), precision (0.835) and F1(0.836) for neural networks.}, doi = {10.1109/ICCUBEA47591.2019.9128546}, author = {Belhekar, Akshay and Gagare, Kumar and Bedse, Ritesh and Bhelkar, Yugandhar and Rajeswari, K. and Karthikeyan, Muthukumarasamy} } @article {45611, title = {Light-triggered, spatially localized chemistry by photoinduced electron transfer}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2715-2719}, type = {Article}, abstract = {

It is of immense interest to exert spatial and temporal control of chemical reactions. It is now demonstrated that irradiation can trigger reactions specifically at the surface of a simple colloidal construct, obtained by adsorbing polyethyleneimine on fluorescent colloidal particles. Exciting the fluorescent dye in the colloid affords photoinduced electron transfer to spatially proximal amine groups on the adsorbed polymer to form free radical ions. It is demonstrated that these can be harnessed to polymerize acrylic acid monomer at the particle surface, or to break up colloidal assemblies by cleaving a cross-linked polymer mesh. Formation of free radical ions is not a function of the size of the colloid, neither is it restricted to a specific fluorophore. Fluorophores with redox potentials that allow photoinduced electron transfer with amine groups show formation of free radical ions.

}, doi = {10.1002/anie.201812700}, author = {Usgaonkar, S. and Deshmukh, S. and Biswas, B. and Karjule, N. and Yadav, P. and Nithyanandhan, J. and Kumaraswamy, G.} } @article {46289, title = {Lithium compounds as single site catalysts for hydroboration of alkenes and alkynes}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {OCT }, pages = {11711-11714}, type = {Article}, abstract = {

The hydroboration of alkenes and alkynes using easily accessible lithium compounds [2,6-di-tert-butyl phenolatelithium (1a) and 1,1 {\textquoteleft} dilithioferrocene (1b)] has been achieved with good yields, high functional group tolerance and excellent chemoselectivity. Deuterium-labeling experiments confirm the cis-addition of pinacolborane. The methodology has been further extended to myrcene, which undergoes selective 4,3-hydroboration. DFT calculations provide insights into the mechanism.

}, issn = {1359-7345}, doi = {10.1039/c9cc05783h}, author = {Bisai, Milan Kumar and Yadav, Sandeep and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {46085, title = {Manganese-catalyzed direct C-C coupling of -C-H bonds of amides and esters with alcohols via hydrogen autotransfer}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7094-7099}, type = {Article}, abstract = {

Herein we report an efficient manganese-catalyzed C-alkylation of unactivated amides and tert-butyl acetate using alcohols as alkylating agents. This elegant approach exhibits a broad substrate scope providing the C-C coupled products of amides via a hydrogen auto-transfer strategy using aryl, heteroaryl, and aliphatic alcohols.

}, issn = {1477-9226}, doi = {10.1039/c8dt05020a}, author = {Rana, Jagannath and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {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 {46119, title = {Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae}, journal = {FEBS Journal}, volume = {286}, year = {2019}, month = {MAY}, pages = {1700-1716}, type = {Article}, abstract = {

Energy metabolism in the diamondback moth Plutella xylostella is facilitated by trehalase, an enzyme which assists in trehalose hydrolysis, from the predominant gut bacterium Enterobacter cloacae. We report the biochemical and structural characterization of recombinant trehalase from E. cloacae (Px_EclTre). Px_EclTre showed K-M of 1.47 (+/- 0.05) mm, k(cat) of 6254.72 min(-1) and V-max 0.2 (+/- 0.002) mm center dot min(-1) at 55 degrees C and acidic pH. Crystal structures of Px_EclTre were determined in the ligand-free form and bound to the inhibitor Validoxylamine A. The crystal structure of the ligand-free form, unavailable until now for any other bacterial trehalases, enabled us to delineate the conformational changes accompanying ligand binding in trehalases. Multiple salt bridges were identified that potentially facilitated closure of a hood over the substrate-binding site. A cluster of five tryptophans lined the -1 substrate-binding subsite, interacted with crucial active site residues and contributed to both trehalase activity and stability. The importance of these residues in enzyme activity was further validated by mutagenesis studies. Many of these identified residues form part of signature motifs and other conserved sequences in trehalases. The structure analysis thus led to the assignment of the functional role to these conserved residues. This information can be further explored for the design of effective inhibitors against trehalases.

}, keywords = {Enterobacter cloacae, Plutella xylostella, structural analysis, trehalase, validoxylamine A}, issn = {1742-464X}, doi = {10.1111/febs.14760}, author = {Adhav, Anmol and Harne, Shrikant and Bhide, Amey and Giri, Ashok and Gayathri, Pananghat and Joshi, Rakesh} } @article {46224, title = {Methane hydrate dissociation in the presence of novel benign additives}, journal = {Energy Procedia}, volume = {158}, year = {2019}, pages = {5856 - 5865}, abstract = {

The apparent drawbacks of the classical approaches towards dissociation of natural gas hydrates have resulted in a paradigm shift into the development of new hybrid hydrate dissociation practices combining the various basic hydrate dissociation techniques. Another approach that can be followed to maximize the efficiency of gas production from natural gas hydrate reserves is the identification of benign additives which when used even in sparingly small concentrations may enhance the kinetics of hydrate dissociation. In the present work, a class of such additives, never reported before, have been unveiled and christened as Low Dosage Hydrate Dissociation Promoters (LHDPs). The additives were first short listed from a wide potential pool using a lab scale ( 250 ml) stirred tank reactor setup and then further studied using a bench scale ( 2.35 l) reactor setup where they were injected in the form of a water-additive stream to dissociate hydrates. The dissociation approach followed in the case of the bench scale reactor experiments was a combination of the thermal stimulation and depressurization processes along with the element of injection of additives. For both sets of experiments (lab and bench scale), the newly identified LHDPs were found to enhance the kinetics of methane hydrate dissociation as compared to pure water. It was observed that concentration of additive and its flow rate also affect the kinetics of methane hydrate dissociation. An energy and efficiency analysis for the hydrate dissociation method in the case of bench scale rector revealed that additive presence enhanced the energy ratio and thermal efficiency four fold as compared to pure water.

}, keywords = {Depressurization, Dissociation, Energy Ratio, kinetics, LHDP, methane hydrate, Thermal Efficiency, thermal stimulation}, issn = {1876-6102}, doi = {https://doi.org/10.1016/j.egypro.2019.01.540}, url = {http://www.sciencedirect.com/science/article/pii/S1876610219305648}, author = {Gaurav Bhattacharjee and Vivek Barmecha and Nilesh Choudhary and Nawal K. Pande and Parivesh Chugh and Rajnish Kumar} } @article {46444, title = {Methane recovery from marine gas hydrates: a bench scale study in presence of low dosage benign additives}, journal = {Applied Energy}, volume = {253}, year = {2019}, month = {NOV }, pages = {113566}, type = {Article; Proceedings Paper}, abstract = {

De-pressurization is one approach which has been found to be economically feasible for methane recovery from marine hydrates. Hydrate dissociation being an endothermic process suggests that de-pressurization alone would not be sufficient and some additional stimulation would be required for sustained production from one such reservoir. Thermal stimulation may overcome the challenge posed by the endothermic dissociation process; however, economically it may not be ideal. A possible way out is to use thermal stimulation, but at relatively low temperatures as compared to conventional practice. This would be economical and can be accomplished in the presence of small doses of additives mixed in with the water stream used for thermal stimulation. In the present study, a number of benign additives were identified which when used in low concentrations enhance the kinetics of methane hydrate dissociation compared to pure water. Additives were first shortlisted from a wide potential pool using quantum mechanical calculations. These additives were later tested for their efficacy in stirred tank reactor to quickly identify the best additives for the job and few selected additives were then studied in a larger bench scale setup (fixed bed configuration) where they were injected in the form of an additive-water stream to dissociate already formed hydrates. Factors such as toxicity of the additive, fluidity of additive-water stream, foam formation on mixing of additive with water, etc. were also taken into account. An energy and efficiency analysis revealed that reported additives enhance the energy ratio and thermal efficiency of the process as compared to pure water stimulation.

}, keywords = {Bench scale, kinetics, Marine hydrate, methane hydrate, Methane recovery, Natural gas hydrate, Process}, issn = {0306-2619}, doi = {10.1016/j.apenergy.2019.113566}, author = {Bhattacharjee, Gaurav and Choudhary, Nilesh and Barmecha, Vivek and Kushwaha, Omkar S. and Pande, Nawal K. and Chugh, Parivesh and Roy, Sudip and Kumar, Rajnish} } @article {46313, title = {Mitochondrial cytochrome oxidase C subunit III (cox3) gene as a sensitive and specific target for molecular detection of Babesia gibsoni infection in dogs}, journal = {Experimental Parasitology}, volume = {206}, year = {2019}, month = {NOV}, pages = {107771}, type = {Article}, abstract = {

A PCR targeting mitochondrial cytochrome oxidase subunit III (cox3) for molecular detection of Babesia gibsoni infection in dogs has been developed in this study. Fifty blood samples from suspected clinical cases from dogs, brought to the veterinary college clinics, were examined for presence of B. gibsoni using conventional diagnosis by microscopic examination of Giemsa stained thin blood smears. In addition, species specific PCRs targeting ITS-1 region (BgITS-1 PCR) and nested PCR targeting 18S ribosomal RNA gene (Bg18SnPCR) were carried out. A 634 bp PCR fragment of B. gibsoni cox3 gene was amplified in positive samples from three geographical locations of Satara, Wai and Pune in Maharashtra state of India. From analysis of the sequence of the B. gibsoni cox3 gene, we found that the Indian isolate had 96-98\% similarity to the isolate from Japan and China. Post sequencing, de-novo diagnostic primer pair for species specific amplification of 164 bp fragment of B. gibsoni cox3 was designed and the PCR was standardized. The diagnostic results of de-novo Bgcox3 PCR were compared with BgITS-1 PCR and Bg18S nPCR. Thin blood smears detected 22\% (11/50) samples positive for small form of Babesia species. The BgITS-1 PCR detected 25\% samples (15/50) as positive and Bg18S nPCR detected 80\% (40/50) B. gibsoni positive samples. The de-novo Bgcox3 PCR detected 66\% (33/50) samples positive for B. gibsoni (at 95\% CI). The analytical sensitivity of cox3 PCR was evaluated as 0.000003\% parasitaemia or 09 parasites in 100 mu l of blood. The de-novo diagnostic cox3 PCR did not cross react with control positive DNA from other haemoprotozoa and rickettsia like B. vogeli, Hepatozoon canis, Trypanosoma evansi, Ehrlichia cants and Anaplasma platys. Statistically, cox3 PCR had better diagnostic efficiency than ITS-1 PCR in terms of sensitivity (p = 0.0006). No statistically significant difference between results of cox3 PCR and 18S nPCR was observed (p = 0.1760). Kappa values estimated for each test pair showed fair to moderate agreement between the observations. Specificity of Bgcox3 PCR was 100\% when compared with microscopy or BgITS-1 PCR. Sensitivity of Bgcox3 PCR was 100\% when compared with that of Bg18S nPCR.

}, keywords = {Babesia gibsoni, cox3, Diagnosis, Dog, mitochondria, molecular}, issn = {0014-4894}, doi = {10.1016/j.exppara.2019.107771}, author = {Betgiri, Aishwarya A. and Jadhav, Sameer N. and Pawde, Mrunalini and Shukla, Anurag and Mote, Chandrashekhar and Pawar, Prashant D. and Shanmugam, Dhanasekaran and Kundu, Krishnendu} } @article {46330, title = {Molecular cobalt(II) complexes for tau polymerization in Alzheimer{\textquoteright}s disease}, journal = {ACS Omega }, volume = {4}, year = {2019}, month = {OCT}, pages = {16702-16714}, type = {Article}, abstract = {

Tau is an axonal protein known to form abnormal aggregates and is the biomarker of Alzheimer{\textquoteright}s disease. Metal-based therapeutics for inhibition of Tau aggregation is limited and rarely reported in contemporary science. Here, we report the first example of rationally designed molecular cobalt(II)-complexes for effective inhibition of Tau and disaggregation of preformed Tau fibrils. The mechanistic studies reveal that prevention of Tau aggregation by cobalt-based metal complexes (CBMCs) is concentration-dependent and Tau seldom exhibits conformational changes. Interestingly, CBMCs play dual role in causing disassembly of preformed aggregates as well as inhibition of complete Tau aggregation. Furthermore, CBMCs were nontoxic and maintained the tubulin network intact. CBMCs also prevented okadaic acid-induced toxicity in SH-SY5Y cells thus, preventing hyperphosphorylation of Tau. We believe that this unprecedented finding by the newly developed molecular complexes has a potential toward metal-based therapeutics for Alzheimer{\textquoteright}s disease.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00692}, author = {Gorantla, Nalini Vijay and Landge, Vinod G. and Nagaraju, Pramod Gudigenahally and Priyadarshini, Poornima C. G. and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {45621, title = {Multimodal chromatography for purification of biotherapeutics - a review.}, journal = {Current Protein and Peptide Science}, volume = {20}, year = {2019}, month = {JAN}, pages = {4-13}, type = {Article}, abstract = {Process chromatography forms the core of purification of biotherapeutics. The unparalleled selectivity that it offers over other alternatives combined with the considerable robustness and scalability make it the unit operation of choice in downstream processing. It is typical to have three to five chromatography steps in a purification process for a biotherapeutic. Generally, these steps offer different modes of separation such as ion-exchange, reversed phase, size exclusion, and hydrophobic interaction. In the past decade, multimodal chromatography has emerged as an alternative to the traditional modes. It involves use of more than one mode of separation and typically combines ion-exchange and hydrophobic interactions to achieve selectivity and sensitivity. Over the last decade, numerous authors have demonstrated the significant potential that multimode chromatography offers as a protein purification tool. This review aims to present key recent developments that have occurred on this topic together with a perspective on future applications of multimodal chromatography.}, doi = {10.2174/1389203718666171020103559}, author = {Halan, V. and Maity, S. and Bhambure, R. and Rathore, A. S.} } @article {46137, title = {Neural anti-inflammatory natural product periconianone A: total synthesis and biological evaluation}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {APR }, pages = {2376-2381}, type = {Article}, abstract = {

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

}, keywords = {Aldol, Allylic oxidation, Biological evaluation, Cytotoxicity, Diels-Alder, Periconianone A}, issn = {1434-193X}, doi = {10.1002/ejoc.201900048}, author = {Kalmode, Hanuman P. and Patil, Suhag S. and Handore, Kishor L. and Athawale, Paresh R. and Dandela, Rambabu and Verma, Abhishek Kumar and Basu, Anirban and Reddy, D. Srinivasa} } @article {45616, title = {NHC-catalyzed generation of α,β-unsaturated acylazoliums for the enantioselective synthesis of heterocycles and carbocycles}, journal = {Accounts of Chemical Research}, volume = {52}, year = {2019}, month = {FEB}, pages = {425-436}, type = {Article}, abstract = {

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

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

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

}, keywords = {dihydroquinoxalines, imines, N-heterocyclic carbenes, organocatalysis, umpolung}, issn = {2155-5435}, doi = {10.1021/acscatal.9b00737}, author = {Das, Tamal Kanti and Ghosh, Avik and Balanna, Kuruva and Behera, Pradipta and Gonnade, Rajesh G. and Marelli, Udaya Kiran and Das, Abhijit Kumar and Biju, Akkattu T.} } @article {46099, title = {Nickel(ii)-catalyzed direct olefination of benzyl alcohols with sulfones with the liberation of H-2}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAY }, pages = {6130-6133}, type = {Article}, abstract = {

A nickel(II)-catalyzed direct olefination of benzyl alcohols with sulfones to access various terminal and internal olefins with the liberation of hydrogen gas is reported.

}, issn = {1359-7345}, doi = {10.1039/c9cc02603g}, author = {Landge, Vinod G. and Yadav, Vinita and Subaramanian, Murugan and Dangarh, Pragya and Balaraman, Ekambaram} } @article {46128, title = {NMR structure and dynamics of inhibitory repeat domain variant 12, a plant protease inhibitor from Capsicum annuum, and its structural relationship to other plant protease inhibitors}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2019}, month = {APR}, type = {Article; Early Access}, abstract = {

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

}, keywords = {Bt transgenic, Capsicum annuum, Helicoverpa armigera, inhibitory repeating domains, NMR structure, Protease inhibitors (PIs)}, issn = {0739-1102}, doi = {10.1080/07391102.2019.1607559, Early Access Date = APR, Early Access Year = 2019}, author = {Gartia, Janeka and Anangi, Raveendra and Joshi, Rakesh S. and Giri, Ashok P. and King, Glenn F. and Barnwal, Ravi P. and Chary, Kandala V. R.} } @article {46307, title = {Novel fatty alkene from marine bacteria: a thermo stable biosurfactant and its applications}, journal = {Journal of Hazardous Materials}, volume = {380}, year = {2019}, month = {DEC}, pages = {UNSP 120868}, type = {Article}, abstract = {

In this study, a novel thermo stable biosurfactants, 1-Pentanonacontene (C95H190) a fatty alkene and 3-Hydroxy16-methylheptadecanoic acid (C18H36O3) were isolated from a marine isolate SGD-AC-13. Biosurfactants were produced using 1\% yeast extract in tap water as production medium at 24 h in flask and 12 h in bioreactor. Using 16S rRNA gene sequence (1515 bp) and BCL card (bioMerieux VITEK (R)), strain was identified as Bacillus sp. Crude biosurfactant reduced the surface tension of distilled water to 31.32 +/- 0.93 mN/m with CMC value of 0.3 mg/ml. Cell free supernatant showed excellent emulsification and oil displacement activity with stability up to 160 degrees C, pH 6-12 and 50 g/L NaCl conc. Biosurfactants were characterized using FTIR, TLC, HPLC LC-MS and NMR spectroscopy. Cell free supernatant reduced the contact angle of distilled water droplet from 117 degrees to 52.28 degrees and of 2\% pesticide from 78.77 degrees to 73.42 degrees while 750 mu g/ml of crude biosurfactant reduced from 66.06 degrees to 56.33 degrees for 2\% pesticide and recovered 35\% ULO and 12\% HWCO from the contaminated sand. To our best of knowledge, this is the first report of thermo stable fatty alkene as a biosurfactant and is structurally different from previously reported, with having potential application in agriculture, oil recovery and bioremediation.

}, keywords = {Bioremediation, Biosurfactants, Fatty alkene, Thermo stability, Wettability}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.120868}, author = {Ram, Hari and Sahu, Amit Kumar and Said, Madhukar S. and Banpurkar, Arun G. and Gajbhiye, Jayant M. and Dastager, Syed G.} } @article {45527, title = {Operando X-ray absorption spectroscopy study of the Fischer-Tropsch reaction with a Co catalyst}, journal = {Journal of Synchrotron Radiation}, volume = {26}, year = {2019}, month = {JAN}, pages = {137-144}, type = {Article}, abstract = {

This article describes the setting up of a facility on the energy-scanning EXAFS beamline (BL-09) at RRCAT, Indore, India, for operando studies of structure-activity correlation during a catalytic reaction. The setup was tested by operando X-ray absorption spectroscopy (XAS) studies performed on a Co-based catalyst during the Fischer-Tropsch reaction to obtain information regarding structural changes in the catalyst during the reaction. Simultaneous gas chromatography (GC) measurements during the reaction facilitate monitoring of the product gases, which in turn gives information regarding the activity of the catalyst. The combination of XAS and GC techniques was used to correlate the structural changes with the activity of the catalyst at different reaction temperatures. The oxide catalyst was reduced to the metallic phase by heating at 400 degrees C for 5h under H-2 at ambient pressure and subsequently the catalytic reaction was studied at four different temperatures of 240, 260, 280 and 320 degrees C. The catalyst was studied for 10h at 320 degrees C and an attempt has been made to understand the process of its deactivation from the XANES and EXAFS results.

}, keywords = {catalysis, EXAFS, Fischer-Tropsch reaction, in situ studies, structure-activity correlation, XANES}, issn = {1600-5775}, doi = {10.1107/S1600577518015588}, author = {Nayak, Chandrani and Jain, Preeti and Vinod, C. P. and Jha, S. N. and Bhattacharyya, D.} } @article {46317, title = {Ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox relay catalysis}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Reported herein is an ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox catalysis to access highly functionalized 2-(2-hydroxyaryl)-2-alkoxy-1-arylethan-1-ones. Detailed mechanistic studies suggested a relay process, initiating with gold-catalyzed hydroalkoxylation of alkynes, to generate enol-ether followed by a key formal [4+2]-cycloaddition reaction. The successful application of the present methodology was also shown for the synthesis of benzofurans.

}, keywords = {binary catalyst system, Gold catalysis, organocatalyst, photoredox, synthetic methodology}, issn = {1861-4728}, doi = {10.1002/asia.201901275}, author = {Sancheti, Shashank P. and Akram, Manjur O. and Roy, Rupam and Bedi, Vaibhav and Kundu, Shubhankar and Patil, Nitin T.} } @article {46237, title = {Oxidative disproportionation of MoS2/GO to MoS2/MoO3-x/RGO : integrated and plasmonic 2D-multifunctional nanocomposites for solar hydrogen generation from near-infrared and visible regions}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {SEP}, pages = { 21685-21693}, type = {Article}, abstract = {

Two dimensional (2D) semiconductor materials have been recently demonstrated to be effective plasmonic materials and alternatives to costly noble metals. However, tuning the plasmon resonance of 2D semiconductors and integrating with another material or semiconductor for various applications, such as solar light harvesting, remains a challenge. Herein, we designed a simple and attractive method, which facilitates the diffusion of oxygen from the graphene oxide (GO) layers of the MoS2/GO (MG) composite to oxidize the MoS2 layers significantly due to thermal treatment under inert atmosphere. This is the key step in the formation of MoS2/MoO3-x/RGO (MMR) (x = 0, 0.5, and 1, and all stoichiometries co-exist), due to disproportionation of MoS2/GO, with bulk heterojunctions among the components. The observed behavior is attributed to the oxidation of Mo4+ cations (of MoS2) to higher oxidation states in MMR (Mo(5+ )and Mo6+ of MoO3-x), which also alters the valence-band electronic structure and work function of the resulting composite. The 2D MoO3-x layers with a large amount of Mo5+ oxidation states enables facile charge carrier generation due to plasmonic effect, whereas MoS2 provides active sites for catalysis. The solar H-2 generation was demonstrated in the visible and near-infrared region by combining both the plasmonic and catalytic effects in one composite. These results demonstrate the important role of RGO to provide energy-level alignment, charge carrier diffusion, and help to generate plasmonic effect in the composite.

}, author = {Patra, Kshirodra Kumar and Ghosalya, Manoj Kumar and Bajpai, Himanshu and Raj, Sreeya and Gopinath, Chinnakonda S.} } @article {45620, title = {Paintable room-temperature phosphorescent liquid formulations of alkylated bromonaphthalimide}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2284-2288}, type = {Article}, abstract = {Organic phosphors have been widely explored with an understanding that crystalline molecular ordering is a requisite for enhanced intersystem crossing. In this context, we explored the room-temperature phosphorescence features of a solvent-free organic liquid phosphor in air. While alkyl chain substitution varied the physical states of the bromonaphthalimides, the phosphorescence remained unaltered for the solvent-free liquid in air. As the first report, a solvent-free liquid of a long swallow-tailed bromonaphthalimide exhibits room-temperature phosphorescence in air. Doping of the phosphor with carbonyl guests resulted in enhanced phosphorescence, and hence a large-area paintable phosphorescent liquid composite with improved lifetime and quantum yield was developed.}, doi = {10.1002/anie.201811834}, author = {Goudappagouda and Manthanath, A. and Wakchaure, V. C. and Ranjeesh, K. C. and Das, T. and Vanka, K. and Nakanishi, T. and Babu, S. S.} } @article {46438, title = {Pathways to defense metabolites and evading fruit bitterness in genus Solanum evolved through 2-oxoglutarate-dependent dioxygenases}, journal = {Nature Communications}, volume = {10}, year = {2019}, month = {NOV}, pages = {5169}, type = {Article}, abstract = {

The genus Solanum comprises three food crops (potato, tomato, and eggplant), which are consumed on daily basis worldwide and also producers of notorious anti-nutritional steroidal glycoalkaloids (SGAs). Hydroxylated SGAs (i.e. leptinines) serve as precursors for leptines that act as defenses against Colorado Potato Beetle (Leptinotarsa decemlineata Say), an important pest of potato worldwide. However, SGA hydroxylating enzymes remain unknown. Here, we discover that 2-OXOGLUTARATE-DEPENDENT-DIOXYGENASE (2-ODD) enzymes catalyze SGA-hydroxylation across various Solanum species. In contrast to cultivated potato, Solanum chacoense, a widespread wild potato species, has evolved a 2-ODD enzyme leading to the formation of leptinines. Furthermore, we find a related 2-ODD in tomato that catalyzes the hydroxylation of the bitter a-tomatine to hydroxytomatine, the first committed step in the chemical shift towards downstream ripening-associated non-bitter SGAs (e.g. esculeoside A). This 2-ODD enzyme prevents bitterness in ripe tomato fruit consumed today which otherwise would remain unpleasant in taste and more toxic.

}, issn = {2041-1723}, doi = {10.1038/s41467-019-13211-4}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Heinig, Uwe and Jozwiak, Adam and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Pliner, Margarita and Unger, Tamar and Wolf, Dalia and Ofner, Itai and Vilaprinyo, Ester and Meir, Sagit and Davydov, Olga and Gal-On, Amit and Burdman, Saul and Giri, Ashok and Zamir, Dani and Scherf, Tali and Szymanski, Jedrzej and Rogachev, Ilana and Aharoni, Asaph} } @inbook {47476, title = {Photo sensor based on 2D materials}, booktitle = {Fundamentals and Sensing Applications of 2D Materials}, number = {Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, pages = {465-479}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {This chapter starts with a general introduction to the interaction of light with matter and use of this principle for sensing. Photo-sensing devices based on two-dimensional (2D) materials are compared to conventional designs and their respective differences discussed in detail. A range of 2D materials are introduced with a generic comparison based on their individual properties and importance to the generation of a photoresponse. Besides transition-metal dichalcogenides, the chapter also deals with black phosphorous photosensor devices. Different heterostructure architectures based on 2D layered structures are investigated and their role in next generation optoelectronics is discussed.}, doi = {10.1016/B978-0-08-102577-2.00013-0}, author = {Late, Dattatray J. and Bhat, Anha and Rout, Chandra Sekhar} } @article {45536, title = {Phytochemical profile, anti-oxidant, anti-inflammatory, and anti-proliferative activities of Pogostemon deccanensis essential oils}, journal = {3 Biotech}, volume = {9}, year = {2019}, month = {JAN}, pages = {31}, type = {Article}, abstract = {

Essential oils (EOs) obtained from aerial parts of Pogostemon deccanensis were analyzed for GC-MS profiling, and evaluated for antioxidant, anti-inflammatory, and anti-proliferative activities. GC-MS analysis revealed a total of 47 constituents, establishing the EOs rich in sesquiterpene with \>20 sesquiterpenes constituting around 77\% of the total EO yield. Major constituents included Curzerene (Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-) (26.39\%) and epi-Cadinol (22.68\%), Ethanone, 1-(2,4,6-trihydroxyphenyl) (6.83\%, Acetophenones), and Boldenone (3.47\%, anabolic steroid). EOs found to be rich in phytochemicals attributed for antioxidant potentials of aromatic/medicinal plants, viz., flavonoids (2.71 mu g quercetin equivalents g(-1) EO), total phenols (3.94 mu g gallic acid equivalents (GAE) g(-1) EO), carotenoids (14.3 mu g -carotene equivalents g(-1) EO), and ascorbic acid (2.21 mu g ascorbic acid equivalents g(-1) EO). P. deccanensis EOs exhibited striking antioxidant activities assessed by wide range of assays including ferric reducing antioxidant potential (FRAP, 255.3 GAE at 2 mu g mL(-1) EO), total antioxidant activity (TAA, 264.3 GAE at 2 mu g ml(-1)) of EO, DPPH (65\% inhibition at 2 mu g mL(-1)), and OH (58\% inhibition at 2 mu g mL(-1)) scavenging. Interestingly, EOs showed considerably higher anti-lipid peroxidation activity than the standard antioxidant molecule ascorbic acid, with 50\% protection by 1.29 mu g mL(-1) EO against 20.0 mu g mL(-1) standard. EOs showed strong anti-inflammatory activity with 50\% inhibition at 1.95 mu g mL(-1) EO. The anti-proliferative activity of EOs was tested against mouse cancer cell line and the EOs proved a potent anti-proliferative agent with only 2.1\% cell survival at 2 mu g mL(-1) EO, whereas the EOs were largely non-toxic-to-normal (non-cancerous) cells with approximately 80\% cell survival at the 2 mu g mL(-1) EOs. This being the first attempt of phytochemical profiling and wide array of biological activities of P. deccanensis EOs holds significance as the striking activities were observed at very low concentrations, in some cases at lower than the commercial standards, and has, therefore, great potential for pharmaceutical or commercial exploration.

}, keywords = {Anti-inflammatory activity, Anti-proliferative activity, Antioxidants, Cytotoxicity, Essential oils}, issn = {2190-572X}, doi = {10.1007/s13205-018-1560-0}, author = {Kumar, Vinay and Shriram, Varsha and Bhagat, Rani and Khare, Tushar and Kapse, Shivanjali and Kadoo, Narendra} } @article {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.} } @inbook {47465, title = {Population balance-enabled model for batch and continuous crystallization processes}, booktitle = {Chemical Engineering in the Pharmaceutical Industry}, year = {2019}, publisher = {John Wiley \& Sons, Inc.}, organization = {John Wiley \& Sons, Inc.}, chapter = {28}, abstract = {

Crystallization is a critical unit operation in manufacturing of various active pharmaceutical ingredients and drugs. Irrespective of the large-scale use of crystallization in pharmaceutical manufacturing industry, crystallization is still considered as an art. Recently, quality by design (QbD) is gaining industry acceptance as an approach toward development and commercialization of the pharmaceutical drug molecules. In QbD, the unit operations and the process are designed and controlled to deliver specified quality attributes consistently. The proposed chapter is motivated by the necessity of the prediction of crystallization events like onset of the crystallization, nucleation, and growth during crystallization of active pharmaceutical ingredients. The chapter demonstrates the integrated use of population balance modeling framework for developing a fundamental understanding of the kinetic aspects of crystallization and correlating the developed understanding for scale-up and design for the crystallization processes. Efforts are made to discuss the impact of various critical process parameters like metastable zone width, scale effects, and residence time on crystal size during batch and continuous modes with the help of couple of case studies. The presented model and approach will be useful for implementing QbD for crystallizers.

}, doi = {10.1002/9781119600800.ch28}, author = {Pandit, Ajinkya and Bhambure, Rahul and Ranade, Vivek V.} } @article {47174, title = {Population genetic and phytochemical dataset of Saraca asoca: a traditionally important medicinal tree}, journal = {Data in Brief}, volume = {25}, year = {2019}, month = {AUG}, pages = {104173}, type = {Article}, abstract = {

The data presented in this article is in support of the research paper {\textquotedblleft}Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies{\textquotedblright} Hegde et\ al., 2018. This article provides PCR based Inter-Simple Sequence Repeat (ISSR) and HPLC datasets of 106 individual samples of Saraca asoca collected from various geographical ranges of the Western Ghats of India. The ISSR data includes information on genetic diversity and images of population structures generated through amplified DNA products from samples of Saraca asoca leaf. Phytochemical data obtained from HPLC includes concentration (mg/g) of gallic acid (GA), catechin (CAT), and epicatechin (EPI). The data also presents information obtained from various statistical analysis viz. standard error of the mean values, distribution variables, prediction accuracy, and multiple logistic regression analysis.

}, doi = {10.1016/j.dib.2019.104173}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Sainia, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @article {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 {47161, title = {Potent chitin-hydrolyzing enzyme from Myrothecium verrucaria affects growth and development of Helicoverpa armigera and plant fungal pathogens}, journal = {International Journal of Biological Macromolecules}, volume = {141}, year = {2019}, month = {DEC }, pages = {517-528}, type = {Article}, abstract = {

Chitin, a crucial structural and functional component of insects and fungi, serves as a target for pest management by utilizing novel chitinases. Here, we report the biocontrol potential of recombinant Myrothecium verrucaria endochitinase (rMvEChi) against insect pest and fungal pathogens. A complete ORF of MvEChi (1185 bp) was cloned and heterologously expressed in Escherichia coli. Structure based sequence alignment of MvEChi revealed the presence of conserved domains SXGG and DXXDXDXE specific for GH-18 family, involved in substrate binding and catalysis, respectively. rMvEChi (46.6 kDa) showed optimum pH and temperature as 7.0 and 30 degrees C, respectively. Furthermore, rMvEChi remained stable within the pH range of 6.0 to 8.0 and up to 40 degrees C. rMvEChi exhibited k(cat)/K-m values of 129.83 x 10(3) [(g/L)(-1) s(-1)] towards 4MU chitotrioside. Hydrolysis of chitooligosaccharides with various degrees of polymerization (DP) using rMvEChi indicated the release of DP2 as main end product with order of reaction as DP6 \> DP5 \> DP4 \> DP3. Bioassay of rMvEChi against Helicoverpa armigera displayed potent anti-feedant activity and induced mortality. In vitro antifungal activity against plant pathogenic fungi (Ustilago maydis and Bipolaris sorokiniana) exhibited significant inhibition of mycelium growth. These results suggest that MvEChi has significant potential in enzyme-based pest and pathogen management. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Biocontrol, endochitinase, Myrothecium verrucaria}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.09.031}, author = {Vidhate, Ravindra P. and Bhide, Amey J. and Gaikwad, Sushama M. and Giri, Ashok P.} } @article {46140, title = {Pressure-induced phase transitions in germanium telluride: raman signatures of anharmonicity and oxidation}, journal = {Physical Review Letters}, volume = {122}, year = {2019}, month = {APR }, pages = {145701}, type = {Article}, abstract = {

Pressure-induced phase transitions in GeTe, a prototype phase change material, have been studied to date with diffraction which is not sensitive to anharmonicity-induced dynamical effects. GeTe is also prone to surface oxidation which may compromise surface sensitive measurements. These factors could be responsible for the lack of clarity about the phases and transitions intervening in the phase diagram of GeTe. We have used high-pressure Raman scattering and ab initio pseudopotential density functional calculations to unambiguously establish the high-pressure phase diagram and identify three phases up to 57 GPa, a low-pressure rhombohedral phase, an intermediate pressure cubic phase, and a high-pressure orthorhombic phase. We detect substantial broadening and softening of Raman modes at low pressure and identify the transition regions and possible intermediate phases.

}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.122.145701}, author = {Pawbake, Amit and Bellin, Christophe and Paulatto, Lorenzo and Beneut, Keevin and Biscaras, Johan and Narayana, Chandrabhas and Late, Dattatray J. and Shukla, Abhay} } @article {46209, title = {Probing the effect of selenium substitution in kesterite-Cu2ZnSnS4 nanocrystals prepared by hot injection method}, journal = {Journal of Materials Science-Materials in Electronics }, volume = {30}, year = {2019}, month = {AUG}, pages = {14781-14790}, type = {Article}, abstract = {

In this paper, we report the effect of sulfur (S) substitution with selenium (Se) in CZTS nanocrystals prepared by hot injection method. The formation of kesterite-copper zinc tin sulfide (Cu2ZnSnS4, CZTS) and copper zinc tin selenide (Cu2ZnSnSe4, CZTSe) nanocrystals is confirmed by X-ray diffraction (XRD), Raman spectroscopy and transmission electron microscopy (TEM) analysis. The XRD, TEM and atomic force microscopy (AFM) analysis shows an overall increase in average crystallite size upon Se substitution. AFM images revealed an increase in root mean square surface roughness (S-q) and average surface roughness (S-a) when S in CZTS is replaced by Se. The substitution of S by Se in host CZTS narrows the optical band gap from 1.56 to 1.03 eV. The ultraviolet photoelectron spectroscopy (UPS) analysis shows shift in valence band and conduction band edge in CZTSe compared to CZTS. The photocurrent density measurement in synthesized CZTSe thin films is similar to 4 to 5 times higher than CZTS thin films. The obtained results show that CZTSe can be a promising candidate as absorber material in photovoltaic applications.

}, doi = {10.1007/s10854-019-01851-7}, author = {Pandharkar, Subhash and Rondiya, Sachin and Bhorde, Ajinkya and Nair, Shruthi and Aher, Rahul and Vairale, Priti and Waghmare, Ashish and Naik, Dhirsing and Waykar, Ravindra and Jadhav, Yogesh} } @article {46007, title = {Quantification of niclosamide polymorphic forms - a comparative study by Raman, NIR and MIR using chemometric techniques}, journal = {Talanta}, volume = {199}, year = {2019}, month = {JUL }, pages = {679-688}, type = {Article}, abstract = {

Niclosamide, an anthelmintic drug recently repurposed for its activity against cancer, crystallizes into three solvated forms, two monohydrates (NHa, NHb) and one anhydrous (NAn) form. NAn is sensitive to pseudopolymorphic transformations that affect its dissolution and consequently, its bioavailability. NAn exhibits a polymorphic conversion to metastable monohydrate (NHa) form during high-energy milling in presence of poorly soluble solvents like water. It is hence very important to quantify polymorphic conversion from NAn to NHa, as water is a commonly used solvent during various processing like ball milling and wet granulation. This main objective of the study was to examine the feasibility of Raman, NIR and MIR spectroscopic techniques for identification and quantification of polymorphic forms of niclosamide in binary mixtures and multicomponent mixtures. Calibration models were developed and validated by vibrational spectroscopic techniques in binary mixtures of NAn and NHa and in multicomponent mixtures by chemometric techniques. These techniques were further used to identify and quantify NHa during ball milling, granulation and in presence of other polymorphic forms of niclosamide. Identification and quantification of pseudopolymorphs in binary and multicomponent mixtures with an acceptable recovery of 100.13-102.99\% for Raman and 100.07-101.28\% for NIR with low \% RSD of 2.38-3.12 for both techniques were obtained. The \% NHa determined during ball milling and granulation was similar by NIR and Raman. Raman spectroscopy however showed a greater advantage over other techniques in determining the NHa in presence of NHb due to significant difference in the spectral region of hydrates, when compared to NIR and MIR.

}, keywords = {Ball milling, Granulation, MSC, PLS, Polymorphic conversion, spectroscopy}, issn = {0039-9140}, doi = {10.1016/j.talanta.2019.03.027}, author = {Bhavana, Valmala and Chavan, Rahul B. and Mannava, M. K. Chaitanya and Nangia, Ashwini and Shastri, Nalini R.} } @article {46109, title = {Rapid and efficient sequestration of arsenic from contaminated water using hypertolerant Bacillus L-148 sp.: a two-step process}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {MAY }, pages = {2245-2251}, type = {Article}, abstract = {

A fast, robust and green bioreactor for arsenic sequestration from contaminated water was designed. In the two-tier bioreactor, bacterial arsenite detoxification (1 mM) was carried out followed by precipitation of arsenate in 5 min. The precipitate could be used for supercapacitor applications. This bioreactor yielded arsenic free water, therefore, this method can be adopted for scale-up. The combination of hypertolerant bacteria and fast precipitation indicates the robustness of this pilot bioreactor.

}, issn = {1463-9262}, doi = {10.1039/c9gc00878k}, author = {Bagade, Aditi and Nandre, Vinod and Ghosh, Sayanti and Battu, Shateesh and Haram, Santosh and Giri, Ashok and Kodam, Kisan} } @article {46057, title = {Realization of efficient field emitter based on reduced graphene oxide-Bi2S3 heterostructures}, journal = {Physica Status Solidi A-Applications and Materials Science}, year = {2019}, month = {JUL}, pages = {1900121}, type = {Article; Early Access}, abstract = {

Herein, Bi2S3 nanorods and reduced graphene oxide (rGO)-Bi2S3 heterostructures are synthesized using a simple hydrothermal method. The structural, morphological, chemical, and elemental analysis of as-synthesized materials is performed using X-ray diffraction (XRD), Raman spectroscopy, field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). Field emission (FE) studies are carried out on both pristine Bi2S3 nanorods and rGO-Bi2S3 heterostructure samples at a base pressure of approximate to 1 x 10(-8) mbar. The results show that the rGO-Bi2S3 heterostructure emitter has superior FE performance compared to pristine Bi2S3 emitters in terms of the turn-on field (2.6 V mu m(-1) at 10 mu A cm(-2)) and threshold field (4.0 V mu m(-1) at 100 mu A cm(-2)) along with a high emission current density of approximate to 1464 mu A cm(-2) at an applied electric field of 7.0 V mu m(-1). The rGO-Bi2S3 heterostructure emitter exhibits very good emission current stability, tested for more than 3 h duration, characterized by standard deviation values approximate to 2.84 and 4.06, corresponding to preset values 12 and 100 mu A. This study implies that one-step hydrothermal route can be efficiently used to synthesize organic-inorganic heterostructures that possess unique morphology. Furthermore, the synthesized rGO-Bi2S3 heterostructure emitter shows potential as an electron source for practical application in vacuum microelectronic devices.

}, keywords = {Bi2S3, field emission, Heterostructures, Nanorods, Reduced graphene oxide}, issn = {1862-6300}, doi = {10.1002/pssa.201900121}, author = {Gote, Gorkshnath H. and Bhopale, Somnath R. and More, Mahendra A. and Late, Dattatray J.} } @article {46358, title = {Recursive partitioning analysis and anti-tubercular screening of 3-aminopyrazine-2-carbohydrazide derivatives}, journal = {Letters in Drug Design \& Discovery}, volume = {16}, year = {2019}, month = {APR}, pages = {1264-1275}, type = {Article}, abstract = {

Background: Treating tuberculosis is a challenge due to the development of drug resistance. Hence, it is imperative to develop novel leads having high potency and efficacy to curb drug resistance. Methods: The present research work is focused on microwave-assisted synthesis of novel twenty-six 3-amino-N{\textquoteright}-benzylidenepyrazine-2-carbohydrazide derivatives (3a-z), where, lyophilization technique was used for isolation of the major intermediate, 3-aminopyrazin-2-carbohydrazide. All synthesized compounds were subjected for anti-tubercular screening against Mycobacterium tuberculosis H37Ra by using XTT Reduction Menadione Assay (XRMA) protocol. Results: Out of 26 synthesized compounds, four N{\textquoteright}-substitutedbenzaldehyde-3-amino-pyrazine-2-carbohydrazide derivatives viz. 3i, 3j 3v and 3z showed significant activity against M. tuberculosis H37Ra. The compounds 3i, 3j, 3v and 3z showed 99, 98, 92 and 87 \% inhibition respectively as compared to 94\% inhibition shown by the standard drug rifampicin. The MIC and IC50 values were in the range of 24.3-110 and 5.9-20.8 mu g/ml respectively. Conclusion: A classification model called Recursive Partitioning (RP) based on binary Quantitative Structure-Activity Relationship (QSAR) was derived for the establishment of structure-activity relationship (SAR). The predictions derived on the basis of RP model were found to be in agreement with anti-tubercular screening data.

}, keywords = {3-aminopyrazine, anti-tubercular activity, Carbohydrazide, lyophilization, QSAR, recursive partitioning}, issn = {1570-1808}, doi = {10.2174/1570180816666190329222636}, author = {Miniyar, Pankaj and Mahajan, Anand and Anuse, Dattatray and Kumar, Ashish and Barmade, Mahesh and Sarkar, Dhiman and Arkile, Manisha and Khedkar, Vijay} } @article {46187, title = {Remarkably distinct mechanical flexibility in three structurally similar semiconducting organic crystals studied by nanoindentation and molecular dynamics}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {FEB}, pages = {1391-1402}, type = {Article}, abstract = {

Distinct macroscopic mechanical responses of the three crystals of naphthalene diimide derivatives, 1Me, 1Et, and 1nPr, studied here are very intriguing because their molecular structures are very similar, with the difference only in the alkyl chain length. Among the three crystals examined, 1Me shows highly plastic bending nature, 1Et shows elastic flexibility, and 1nPr is brittle. A detailed investigation by nanoindentation and molecular dynamics (MD) simulations allowed us to correlate their distinct mechanical responses with the way the weak interactions pack in crystal structures. The elastic modulus (E) of 1Me is nearly an order of magnitude lower than that of 1Et, whereas hardness (H) is less than half. The low values of E and H of 1Me indicate that these crystals are highly compliant and offer a low resistance to plastic flow. As the knowledge of hardness and elastic modulus of molecular crystals alone is insufficient to capture their macroscopic mechanical deformation nature, that is, elastic, brittle, or plastic, we have employed three-point bending tests using the nanoindentation technique. This allowed a quantitative evaluation of flexibility of the three mechanically distinct semiconducting molecular crystals, which is important for designing larger-scale applications; these were complemented with detailed MD simulations. The elastic 1Et crystals showed remarkable flexibility even after 1000 cycles. The results emphasize that the alkyl side chains in functional organic crystals may be exploited for tuning their self-assembly as well as their mechanical properties. Hence, the study has broad implications, for example, in crystal engineering of various flexible, ordered molecular materials.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.8b04800}, author = {Devarapalli, Ramesh and Kadambi, Sourabh Bhagwan and Chen, Chun-Teh and Krishna, Gamidi Rama and Kammari, Bal Raju and Buehler, Markus J. and Ramamurty, Upadrasta and Reddy, C. Malla} } @article {46103, title = {Reusable cobalt catalyst for reversible acceptorless dehydrogenation and hydrogenation of N-Heterocycles}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {MAY}, pages = {2449-2457}, type = {Article}, abstract = {

The development of robust catalytic systems based on basemetals for reversible acceptorless dehydrogenation (ADH) and hydrogenation of feedstock chemicals is very important in the context of {\textquoteleft} hydrogen storage{\textquoteright}. Herein, we report a highly efficient reusable cobalt-based heterogeneous catalyst for reversible dehydrogenation and hydrogenation of N-heterocycles. Both the ADH and the hydrogenation processes operate under mild, benign conditions.

}, doi = {10.1002/cctc.201900367}, author = {Jaiswal, Garima and Subaramanian, Murugan and Sahoo, Manoj K. and Balaraman, Ekambaram} } @article {46141, title = {Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {APR }, pages = {2043-2048}, type = {Article}, abstract = {

The stronger sulfonamide-pyridine (SO2NH2 center dot center dot center dot N-Py) and sulfonamide-carboxamide (SO2NH2 center dot center dot center dot O = C-NH) hydrogen bonds direct the formation of cocrystals, while the weaker sulfonamide-amine (SO2NH2 center dot center dot center dot N-H) hydrogen bond results in coamorphous products. IDP-PIP and IDP-ARG coamorphous solids exhibit remarkable stability under accelerated conditions.

}, issn = {1466-8033}, doi = {10.1039/c8ce01075g}, author = {Allu, Suryanarayana and Suresh, Kuthuru and Bolla, Geetha and Mannava, M. K. Chaitanya and Nangia, Ashwini} } @article {45628, title = {Role of Li+ and Fe3+ in modified ZnO: Structural, vibrational, opto-electronic, mechanical and magnetic properties}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JAN}, pages = {7232-7243}, type = {Article}, abstract = {When Fe is doped in ZnO, a situation of charge imbalance is created due to the higher charge of Fe3+. A charge balance may be obtained by co-doping Li+0.5Fe3+0.5 combinations. A solid solution of Zn1-x(Fe0.5Li0.5)xO (0 <= x <= 0.03125) is synthesized with this viewpoint. The crystallites belong to a wurtzite P63mc space group, with lattice parameters a, b and c increasing nominally for x = 0.0156 and thereafter remaining invariant. The size varies in the range ~ 60{\textendash}142 nm. Interstitials of Li and Zn ions are formed. Along with Fe3+ substitution these defects are reasons for O interstitials. These oxygen interstitials increase the red emission while reduction of oxygen vacancies reduces the green emission. These point defects create structural distortion and strain which can generate Zn vacancies. Bandgap reduces due to shallow defects. Mid-bandgap states due to oxygen interstitials and Fe 3d-O 2p hybridization result in NIR emission. On the other hand the crystal surface deforms due to Li addition which hardens the materials. A weak ferromagnetism appears at very low temperature which is enhanced by Li+ addition. Long range exchange mechanism between Fe3+ ions appears in the samples, mediated by magnetic polarons due to point defects.}, keywords = {hardness, NIR emission, Shallow and deep level defects, Weak ferromagnetism, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.01.004}, author = {Bajpai, G. and Moirangthem, I. and Sarkar, S. and Barman, S. R. and Vinod, C. P. and Bajpai, S. and Riyajuddin, S. and Ghosh, K. and Basaula, D. R. and Khan, M. and Liu, S. -W. and Biring, S. and Sen, S.} } @article {46319, title = {Role of particle morphology in the yielding behavior of dense thermosensitive microgel suspensions}, journal = {Journal of Applied Polymer Science}, year = {2019}, month = {OCT}, pages = {48625}, type = {Article; Early Access}, abstract = {

The yielding behavior of dense thermosensitive microgel suspensions of poly(N-isopropylacrylamide) with two different particle morphologies viz core-shell (CS) morphology and particles with uniform crosslink density were studied. Structural properties were examined using dynamic light scattering and yielding behavior was investigated by nonlinear oscillatory rheology. Suspensions of particles with uniform crosslinking density showed a typical hard sphere like behavior with the loss modulus (G {\textquoteleft}{\textquoteright}) exhibiting a single peak due to cage breaking while CS type particles shows a double yielding at different ranges of strain similar to that seen in attractive colloidal glasses. The first yielding process in CS microgels is interpreted as due to the disentanglement of the overlapped polymer chains from the shells of the neighboring microgels and the second yielding process due to the breakage of cages formed by neighboring microgel particles. Current study suggests that the interpenetration of polymer chains at high concentrations sets in an attractive like potential leading to double yielding phenomena in an otherwise purely repulsive system. (c) 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48625.

}, issn = {0021-8995}, doi = {10.1002/app.48625}, author = {Jathavedan, Kiran Kaithakkal and Kanheerampockil, Fayis and Bhat, Suresh} } @article {46130, title = {Room temperature catalytic dehydrogenation of cyclic amines with the liberation of H-2 using water as a solvent}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {APR }, pages = {2119-2128}, type = {Article}, abstract = {

Catalytic dehydrogenation of cyclic amines, in particular partially saturated N-heterocycles to N-heterocyclic arenes, with the removal of molecular hydrogen as the sole byproduct in water is reported. This dehydrogenation reaction proceeds smoothly under very mild and benign conditions and operates at room temperature. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and a newly synthesized cobalt complex as the proton-reduction catalyst. A detailed mechanistic study (control experiments, electrochemical studies, UV-visible experiments) is presented for the present dual catalysis.

}, issn = {1463-9262}, doi = {10.1039/c9gc00201d}, author = {Sahoo, Manoj K. and Balaraman, Ekambaram} } @article {46433, title = {Room-temperature asymmetric transfer hydrogenation of biomass-derived levulinic acid to optically pure gamma-valerolactone using a ruthenium catalyst}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {NOV }, pages = {19491-19498}, type = {Article}, abstract = {

This study presents a first report on ruthenium-catalyzed asymmetric transfer hydrogenation (ATH) of levulinic acid (LA) to chiral gamma-valerolactone (GVL). ATH of LA has been explored with Noyori{\textquoteright}s chiral catalyst (Ru-TsDPEN) in methanol solvent. Efficacy of ATH reaction of LA was investigated under different reactions conditions such as temperature, catalyst, and hydrogen donor concentration. The effect of various organic tertiary bases along with formic acid (FA) as a hydrogen donor was studied, and N-methylpiperidine with FA (1:1 molar ratio) was revealed as an efficient hydrogen donor for ATH of LA to GVL furnishing chiral GVL with complete conversion and 93\% enantiomeric excess (ee). This operationally simple and mild ATH protocol was tested for practical applicability of ATH of LA obtained from biomass waste (rice husk and wheat straw) and furnished chiral GVL with 82\% ee.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03424}, author = {Shende, Vaishali S. and Raut, Amol B. and Raghav, Prathamesh and Kelkar, Ashutosh A. and Bhanage, Bhalchandra M.} } @article {46184, title = {Selective targeting of integrin alpha v beta 8 by a highly active cyclic peptide}, journal = {Journal of Medicinal Chemistry}, volume = {62}, year = {2019}, month = {FEB }, pages = {2024-2037}, type = {Article}, abstract = {

Integrins play important roles in physiological and pathophysiological processes. Among the RGD-recognizing integrin subtypes, the alpha v beta 8 receptor is emerging as an attractive target because of its involvement in various illnesses, such as autoimmune diseases, viral infections, and cancer. However, its functions have, so far, not been investigated in living subjects mainly because of the lack of a selective alpha v beta 8 ligand. Here, we report the design and potential medical applications of a cyclic octapeptide as the first highly selective small-molecule ligand for alpha v beta 8. Remarkably, this compound displays low nanomolar alpha v beta 8 binding affinity and a strong discriminating power of at least 2 orders of magnitude versus other RGD-recognizing integrins. Peptide functionalization with fluorescent or radioactive labels enables the selective imaging of alpha v beta 8-positive cells and tissues. This new probe will pave the way for detailed characterization of the distinct (patho)physiological role of this relatively unexplored integrin, providing a basis to fully exploit the potential of alpha v beta 8 as a target for molecular diagnostics and personalized therapy regimens.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b01588}, author = {Reichart, Florian and Maltsev, Oleg V. and Kapp, Tobias G. and Raeder, Andreas F. B. and Weinmueller, Michael and Marelli, Udaya Kiran and Notni, Johannes and Wurzer, Alexander and Beck, Roswitha and Wester, Hans Juergen and Steiger, Katja and Di Maro, Salvatore and Di Leva, Francesco Saverio and Marinelli, Luciana and Nieberler, Markus and Reuning, Ute and Schwaiger, Markus and Kessler, Horst} } @article {46077, title = {Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {JUN }, pages = {11956-11966}, type = {Article}, abstract = {

The inherent control of the self-sorting and co-assembling process that has evolved in multi-component biological systems is not easy to emulate in vitro using synthetic supramolecular synthons. Here, using the basic component of nucleic acids and lipids, we describe a simple platform to build hierarchical assemblies of two component systems, which show an interesting self-sorting and co-assembling behavior. The assembling systems are made of a combination of amphiphilic purine and pyrimidine ribonucleoside-fatty acid conjugates (nucleolipids), which were prepared by coupling fatty acid acyl chains of different lengths at the 2 {\textquoteleft}-O- and 3 {\textquoteleft}-O-positions of the ribose sugar. Individually, the purine and pyrimidine nucleolipids adopt a distinct morphology, which either supports or does not support the gelation process. Interestingly, due to the subtle difference in the order of formation and stability of individual assemblies, different mixtures of supramolecular synthons and complementary ribonucleosides exhibit a cooperative and disruptive self-sorting and co-assembling behavior. A systematic morphological analysis combined with single crystal X-ray crystallography, powder X-ray diffraction (PXRD), NMR, CD, rheological and 3D X-ray microtomography studies provided insights into the mechanism of the self-sorting and co-assembling process. Taken together, this approach has enabled the construction of assemblies with unique higher ordered architectures and gels with remarkably enhanced mechanical strength that cannot be derived from the respective single component systems.

}, issn = {2040-3364}, doi = {10.1039/c9nr01863h}, author = {Nuthanakanti, Ashok and Walunj, Manisha B. and Torris, Arun and Badiger, Manohar V. and Srivatsan, Seergazhi G.} } @article {46422, title = {Separation of nitroaromatics from wastewater by using supported ionic liquid membranes}, journal = {Journal of Water Process Engineering}, volume = {32}, year = {2019}, month = {DEC}, pages = {100925}, type = {Article}, abstract = {

Nitroaromatics have been released into wastewater during its production and application, thus, contaminating the ecosystem. The stringent discharge limits of industrial effluents have led to the development of sustainable technologies for removal of nitroaromatics from wastewater. In the present investigation, separation of nitroaromatic compounds such as TNT, TNP and Tetryl from model wastewater was investigated by using supported ionic liquid membrane (SILM) process. Various aliquat 336 based ionic liquids (ILs) were synthesised and characterized, and immobilized in PTFE and PVDF supports for the preparation of SILMs. The key parameters such as type of IL and striping phase, feed phase pH, selectivity for SILM, extraction kinetics and reuse of SILM were studied, in detail. The size of IL-anion plays an important role in removal process. The SILM was found to be selective for TNP over other nitroaromatics. Maximum separation of TNP (\< 95\%) was achieved with IL, [A336][SCN] within 12 h. Selectivity and reuse of the membrane indicate the potential of SILM technology as a sustainable chemical process for the treatment of nitroaromatics contaminated wastewater.

}, keywords = {Ionic liquid, Membrane, Nitroaromatics, Separation, wastewater}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2019.100925}, author = {Bhosale, Vikas K. and Chana, Harpreet K. and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {46097, title = {Solvothermal growth of PbBi2Se4 nano-flowers: a material for humidity sensor and photodetector applications}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {216}, year = {2019}, month = {JUN}, pages = {1900065}, type = {Article}, abstract = {

In the present work, lead bismuth selenide (PbBi2Se4) nano-flowers are synthesized by using a simple solvothermal method. Humidity sensor and photodetector based on PbBi2Se4 nano-flowers are fabricated on indium tin oxide (ITO) substrates and their sensing properties are investigated. Formation of PbBi2Se4 is confirmed by XRD, EDS, and XPS whereas formation of nano-flowers is confirmed by SEM and TEM analysis. XRD analysis reveals the hexagonal crystal structure of PbBi2Se4 phase with a = b = 4.22 angstrom, and c= 17.42 angstrom. The surface morphology of PbBi2Se4 clearly shows the formation of well-organized flower-like nanostructures which closely resembles the shape of Dahlia. The elemental mapping of chemical constituents obtained from SEM-EDS analysis shows uniform distribution of chemical constituents for the Pb, Bi, and Se in PbBi2Se4 nano-flowers. The PbBi2Se4 nano-flowers based humidity sensor has a typical response time of approximate to 65s and recovery time of approximate to 75 s. In case of PbBi2Se4 nano-flowers-based photodetector, the response and recovery time are observed approximate to 121 and approximate to 123 s, respectively, under visible light illumination with photoresponsivity (5 x 10(-6)), photosensitivity (2.16\%), and quantum efficiency (1.5 x 10(4)). The obtained results demonstrate the potential applications of solvothermally grown PbBi2Se4 nano-flowers-based devices for humidity sensors and photodetectors. The ease of the present work is to develop novel material to obtain device quality humidity sensors and photodetectors.

}, keywords = {humidity sensor, PbBi2Se4, photodetector, XPS, XRD}, issn = {1862-6300}, doi = {10.1002/pssa.201900065}, author = {Aher, Rahul and Bhorde, Ajinkya and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Naik, Dhirsing and Vairale, Priti and Karpe, Smita and Late, Dattatray and Prasad, Mohit and Jadkar, Sandesh} } @article {45614, title = {Squaraine-linked metalloporphyrin two-dimensional polymer photocatalyst for hydrogen and oxygen evolution reactions}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JAN}, pages = {1627-1630}, type = {Article}, abstract = {Efficient water splitting photocatalysts are an energetically demanding and cost-effective method for generating renewable energy. Significant research has been reported to advance this approach. However, the use of organic photocatalysts and the presence of residual catalysts trapped in the porous frameworks present major concerns about the efficiency of this strategy. Herein, we report the photocatalytic evolution of H2 and O2 by a multi-hydroxyl group-decorated metalloporphyrin-based two-dimensional catalyst developed via metal catalyst-free synthetic route. Though metalloporphyrins have long been used for catalytic functions, a heterogeneous photocatalyst delivering both H2 and O2 has not yet been realized. This polymer catalyst design enables the photocatalytic diatomic O2 release, a bottleneck in water splitting, in a facile way. Photocatalytic release of H2 as well as O2 occurs with long-term durability of 20 cycles in 300 days with negligible decrease in efficiency, thus demonstrating the excellent performance of this new catalyst.}, doi = {10.1039/C8CC09132C}, author = {Ranjeesh, K. C. and George, L. and Wakchaure, V. C. and Goudappagouda and Devi, R. N. and Babu, S. S.} } @article {46267, title = {Structural insight into a membrane intrinsic Acyltransferase from Chlorobium tepidum }, journal = {Current Microbiology}, volume = {76}, year = {2019}, month = {NOV}, pages = {1290-1297}, type = {Article}, abstract = {

The Lipid A component of the outer membrane of Gram-negative bacteria is an integral part of the permeability barrier known as LPS, which actively prevents the uptake of bactericidal compounds. It is clinically very significant, as it is known to elicit a strong immune response in the humans, through the TLR4 complex. The Lipid A species are synthesized through a highly conserved multistep biosynthetic pathway. The final step is catalyzed by acyltransferases of the HtrB/MsbB family, which are members of a superfamily of enzymes, present in all domains of life with important roles to play in various biological processes. The investigation of a putative dual functioning enzyme which can add both laurate and myristate residues to the (Kdo)(2)-lipid IVA (precursor of Lipid A) would give a snapshot into the versatility of substrates that these enzymes catalyze. In this study we have cloned and purified to homogeneity, such a putative dual functional acyltransferase from Chlorobium tepidum, and attempted to study the enzyme in more details in terms of its sequence and structural aspects, as it lacks conserved residues with other enzymes of the same family.

}, doi = {10.1007/s00284-019-01743-3}, author = {Boral, Debjyoti and Vankudoth, Koteswara Rao and Ramasamy, Sureshkumar} } @article {46065, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L. Vol. 37}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {37}, year = {2019}, month = {JUL}, pages = {2669-2677}, type = {Article}, abstract = {

Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8 angstrom resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum.

}, keywords = {Chickpea, crystal structure, inhibitory loop, Kunitz trypsin inhibitor, Trypsin}, issn = {0739-1102}, doi = {10.1080/07391102.2018.1494633}, author = {Bendre, Ameya D. and Suresh, C. G. and Shanmugam, Dhanasekaran and Ramasamy, Sureshkumar} } @article {45512, title = {Studies on nano composites of SPEEK/ethylene glycol/cellulose nanocrystals as promising proton exchange membranes}, journal = {Electrochimica Acta}, volume = {293}, year = {2019}, month = {JAN }, pages = {260-272}, type = {Article}, abstract = {

The present work deals with fabrication and characterisations of nano-composite membranes composed of sulfonated poly (ether ether ketone) (SPEEK) cross-linked and reinforced with ethylene glycol (EG) and cellulose nanocrystals (CNCs) respectively. The thin films of cross-linked composite membranes were prepared by solvent casting method and further analysed for physicochemical and electrochemical properties to execute their applicability as promising proton exchange membrane (PEM) in fuel cells. The process of cross-linking helps to improve the strength and dimensional stability of bare SPEEK membranes without compromising with conductivity. However, presence of CNCs further improves the strength and provides an effective pathway for the conduction of protons in membranes by interacting through their surface hydroxyl and sulfonic acid groups with ionic moieties of polymer matrix. All prepared composite membranes showed good oxidative and thermal stability along with good proton conductivity. The cross-linked SPEEK membranes with 4 wt\% loading of CNCs possess an appreciable proton conductivity of 0.186 S/cm at 95 degrees C and 95\% RH which is comparable to Nafion 117. From the view point of above studies, the prepared nano-composite can be described as promising proton exchange membrane for fuel cells. (c) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Cellulose nanocrystals, Cross-linked SPEEK, fuel cell, oxidative stability, proton conductivity}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.10.029}, author = {Bano, Saleheen and Negi, Yuvraj S. and Illathvalappil, Rajith and Kurungot, Sreekumar and Ramya, K.} } @article {46288, title = {Studies on the use of sodium polyacrylate (SPA) for low-salt animal skin preservation}, journal = {Environmental Science and Pollution Research}, volume = {26}, year = {2019}, month = {SEP}, pages = { 27100-27111}, type = {Article}, abstract = {

Salt-based preservation is practiced for decades in the leather industry because of its versatility, cost-effectiveness, and availability. The salt removed from the soaking process causes significant pollution including organic and elevated total dissolved solids (TDS). Hence, a low-salt skin preservation method using commercial sodium polyacrylate with a reduced quantity of sodium chloride aiming to retain leather properties and pollution reduction was the principal focus of the study. Commercial sodium polyacrylate initially characterized for water absorption capacity along with structural and functional properties is confirmed by NMR and IR spectroscopic techniques. In preliminary experiments, the process parameters attained optimized conditions of sodium polyacrylate (SPA) quantity (5\%), a minimal amount of salt (15\%), and contact time (4 h) required for skin preservation. Besides, reusability studies after SPA recovery (95\%) were applied to skins with an optimized quantity of SPA and salt subsequently stored for 15 days along with control (40\% salt). The results revealed that SPA with low salt aided an adequate curing efficiency with a substantial reduction (\> 65\%) of TDS and comparable physical and organoleptic properties on par with the conventional method. Overall, SPA supported low-salt skin preservation reduces pollutant load (TDS) caused due to using of 40\% sodium chloride in the conventional curing process.

}, doi = {10.1007/s11356-019-05871-y}, author = {Balasubramanian, Venkatakrishnan and Velappan, Brindha and Vijayan, Sandhya Kurvilla and Jabamani, Hepzibah and Nagarajan, Vedaraman and Victor, John Sundar and Ranganath, Suresha P. and Badiger, Manohar V. and Chinnaraj, Velappan kandukalpatti and Chellappa, Muralidharan} } @article {46069, title = {Supramolecular synthon hierarchy in sulfonamide cocrystals with syn-amides and N-oxides}, journal = {IUCRJ}, volume = {6}, year = {2019}, month = {JUL}, pages = {751-760}, type = {Article}, abstract = {

Sulfonamide drugs are well known antibacterial and antimicrobial molecules for pharmaceutical development. Building a library of suitable supramolecular synthons for the sulfonamide functional group and understanding their crystal structures with partner coformer molecules continues to be a challenge in crystal engineering. Although a few sulfonamide cocrystals with amides and N-oxides have been reported, the body of work on sulfonamide synthons is limited compared with those that have carboxylic acids and carboxamides. To address this structural gap, the present work is primarily focused on sulfonamide-lactam and sulfonamide-syn-amide synthons with drugs such as celecoxib, hydrochlorothiazide and furosemide. Furthermore, the electrostatic potential of previously reported cocrystals has been recalculated to show that the negative electrostatic potential on the lactam and syn-amide O atom is higher compared with the charge on carboxamide and pyridine N-oxide O atoms. The potential of sulfonamide molecules to form cocrystals with syn-amides and lactams are evaluated in terms of the electrostatic potential energy for the designed supramolecular synthons.

}, keywords = {cocrystals, crystal engineering, sulfonamides, supramolecular synthons, syn-amides}, issn = {2052-2525}, doi = {10.1107/S2052252519005037}, author = {Bolla, Geetha and Nangia, Ashwini} } @article {46304, title = {Sustained release insect repellent microcapsules using modified cellulose nanofibers (mCNF) as pickering emulsifier}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {582}, year = {2019}, month = {DEC }, pages = {Article Number:123883}, type = {Article}, abstract = {

We report here an approach to encapsulate N, N-diethyl-3-methylbenzamide (DEET), an insect repellent, through interfacial polycondensation using modified cellulose nanofiber (CNF) as pickering emulsifier. We found that stearic acid functionalized CNF (mCNF) can be used to form stable pickering emulsions (oil-in-oil and water-in-oil), and further encapsulate DEET using interfacial polycondensation with very high encapsulation efficiency of about 98\%. Another major advantage of this approach is that mCNF can act both as pickering emulsifier and also strengthen the barrier properties of microcapsules resulting in significant reduction in release rate of DEET. Interpretation of the release profiles using standard mathematical models proposed by Ritger-Peppas show a factor of three reduction in release rate constant for the microcapsules reinforced with mCNF.

}, keywords = {Cellulose nanofiber, Controlled release, Microcapsules, Nanocomposite, nanoparticle, Pickering emulsion}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2019.123883}, author = {Kadam, Sandip L. and Yadav, Prashant and Bhutkar, Siddhant and Patil, Vishal D. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {45606, title = {Synergetic combination of H2Zr1PW12O40 and Sn-Beta as potential solid acid catalyst for direct one-step transformation of glucose to ethyl levulinate, a biofuel additive}, journal = {Environmental Progress and Sustainable Energy}, year = {2019}, month = {FEB}, type = {Article}, abstract = {Ethyl levulinate (EL) has found wide applications as chemicals and biofuel additives. Efficient catalytic conversion of abundantly available glucose to ELs over solid acid catalyst having optimum Br{\o}nsted (B) and Lewis (L) acidity is highly appreciated. Present work demonstrated, direct one-step synthesis of EL from glucose over synergized Br{\o}nsted (H2Zr1PW12O40) and Lewis (Sn-Beta) acid catalyst. H2Zr1PW12O40 is prepared by exchanging H+ of tungstophosphoric acid (H3PW12O40-heteropolyacid) with Zr, improves the heterogeneity in polar medium by 50\%. The combination of a physical mixture of H2Zr1PW12O40 + Sn-Beta with 80:20 weight ratio was found to be optimum for the maximum EL yield formation of 54\% from glucose at 180{\textdegree}C for 3 h, which is probably the highest than reported over the heterogeneous catalyst in ethanol medium. An optimal combination of B and L catalyst and its ratio is found to be crucial for the direct transformation of glucose to EL in one step. The present study also explored that this combined physical mixture of H2Zr1PW12O40 + Sn-Beta can tolerate glucose concentration up to 30 g/L, which is probably the higher than reported. {\textcopyright} 2019 American Institute of Chemical Engineers Environ Prog, 2019}, doi = {10.1002/ep.13173}, author = {Mulik, N. and Niphadkar, P. and Bokade, V.} } @article {45575, title = {Synthesis and characterization of zinc oxide nanoparticles by using polyol chemistry for their antimicrobial and antibiofilm activity}, journal = {Biochemistry and Biophysics Reports }, volume = {17}, year = {2019}, month = {MAR}, pages = {71-80}, type = {Article}, abstract = {The present investigation deals with facile polyol mediated synthesis and characterization of ZnO nanoparticles and their antimicrobial activities against pathogenic microorganisms. The synthesis process was carried out by refluxing zinc acetate precursor in diethylene glycol(DEG) and triethylene glycol(TEG) in the presence and in the absence of sodium acetate for 2 h and 3 h. All synthesized ZnO nanoparticles were characterized by X-ray diffraction (XRD), UV visible spectroscopy (UV), thermogravimetric analysis (TGA), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) technique. All nanoparticles showed different degree of antibacterial and antibiofilm activity against Gram-positive Staphylococcus aureus (NCIM 2654)and Gram-negative Proteus vulgaris (NCIM 2613). The antibacterial and antibiofilm activity was inversely proportional to the size of the synthesized ZnO nanoparticles. Among all prepared particles, ZnO nanoparticles with least size (~ 15 nm) prepared by refluxing zinc acetate dihydrate in diethylene glycol for 3 h exhibited remarkable antibacterial and antibiofilm activity which may serve as potential alternatives in biomedical application.}, doi = {10.1016/j.bbrep.2018.11.007}, author = {Mahamuni, P. P. and Patil, P. M. and Dhanavade, M. J. and Badiger, M. V. and Shadija, P. G. and Lokhande, A. C. and Bohara, R. A.} } @article {46248, title = { Synthesis and reactivity of a hypersilylsilylene }, journal = {Inorganic chemistry}, volume = {58}, year = {2019}, month = {AUG}, pages = {10536-10542}, type = {Article}, abstract = {

Stabilization of an amidinatosilylene with a bulky tris(trimethylsilyl)silyl substituent was realized with the preparation of PhC(NtBu)(2)Si{Si(SiMe3)(3)} (1) from PhC(NtBu)(2)SiHCl2 with K{Si(SiMe3)(3)} in more than 90\% yield. The highly deshielded Si-29 NMR resonance (delta = 76.91 ppm) can be attributed to the absence of a pi-donating substituent. The molecular structure of 1 shows a trigonal-planar geometry around the Si-II center with a Si-II-Si-IV bond length of 2.4339(13) angstrom. A series of reactions of 1 with Me3NO, S, Se, and Te were performed. While siloxane derivatives (2 and 3) are obtained from reactions with Me3NO, silachalcogenones (4-6) are formed with other chalcogens. The presence of Si=E (E = S, Se, and Te) bonds in 4-6 have been confirmed by single crystal X-ray studies. Silaoxirane (7) formation was observed when 1 was treated with acetone, demonstrating the importance of the tris(trimethylsilyl)silyl group to kinetically and thermodynamically protect the silaoxirane derivative with less bulky substituents on the C atom.

}, doi = {10.1021/acs.inorgchem.9b00418}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {46223, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors}, journal = {Journal of Scientific \& Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {

A series of novel chromone/aza-chromone fused alpha-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 mu M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.

}, author = {Bapat, S. and Viswanadh, N. and Mujahid, M. and Shirazi, A. N. and Tiwari, R. K. and Parang, K. and Karthikeyan, M. and Muthukrishnan, M. and Vyas, Renu} } @article {47493, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-chromone fused α-aminophosphonates as Src kinase inhibitors}, journal = {Journal of Scientific and Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {A series of novel chromone/aza-chromone fused α-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 {\textmu}M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.}, author = {Bapat, Sanket and Viswanadh, N. and Mujahid, M. and Shirazi, Amir Nasrolahi and Tiwari, Rakesh and Parang, Keykavous and Karthikeyan, Muthukumarasamy and Muthukrishnan, M. and Vyas, Renu} } @article {45507, title = {Synthesis of 2-Aryl naphthoquinones by the cross-dehydrogenative coupling involving an NHC-catalyzed endo-stetter reaction}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {JAN }, pages = {1103-1110}, type = {Article}, abstract = {

An N-heterocyclic carbene (NHC)-catalyzed intramolecular Stetter reaction proceeding via the endo-fashion was the key step for the transition-metal-free and mild cross-dehydrogenative coupling of 2-cinnamoyl benzal-dehydes allowing for the synthesis of 2-aryl naphthoquinones. In this transformation, the carbene generated from the triazolium salt using Na2CO3 catalyzes the intramolecular Stetter reaction, which was followed by air oxidation to reinstall the C-C double bond.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02931}, author = {Ghosh, Arghya and Patra, Atanu and Mukherjee, Subrata and Biju, Akkattu T.} } @article {46417, title = {Synthesis of a 3D free standing crystalline NiSex matrix for electrochemical energy storage applications}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {DEC }, pages = {16873-16881}, type = {Article}, abstract = {

The electrochemical performance for energy storage of three-dimensional (3D) self-supported heterogeneous NiSex cubic-orthorhombic nanocrystals grown by a facile one-step chemical vapour deposition (CVD) approach on Ni foam substrates has been explored. NiSex shows a high specific capacitance of 1333 F g(-1) with ultra-high energy (105 W h kg(-1)) and power (54 kW kg(-1)) densities. Furthermore, by integrating the as-grown NiSex as the anode and reduced graphene oxide as the cathode, a hybrid super-capacitor (HSC) prototype with a coin cell configuration has been fabricated. The device shows better capacitance (40 F g(-1)) with high energy (22 W h kg(-1)) and power (5.8 kW kg(-1)) densities and robust cycling durability (similar to 88\% capacitance retention after 10 000 repeated cycles). For practical reliability of the as-fabricated HSC, a red LED has been illuminated by connecting it with two charged coin cells. These outstanding performances of the HSC prove to be promising for applications in high energy storage systems.

}, issn = {1477-9226}, doi = {10.1039/c9dt03150b}, author = {Dinara, Syed Mukulika and Samantara, Aneeya K. and Das, Jiban K. and Behera, J. N. and Nayak, Saroj K. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46165, title = {Synthesis of artemisinin derived glycoconjugates inspired by click chemistry}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {MAR }, pages = {4017-4021}, type = {Article}, abstract = {

Herein we describe the synthesis of artemisinin based glycoconjugates (9a-i) through employing a Cu(i)-catalysed reaction between -propargylated dihydroartemisinin (7a) and azido sugars (8a-i), with moderate to excellent yields. Our synthesized artemisinin based glycoconjugates (9a-i) could prove to be an interesting class of bioactive molecules, suitable for the study of their various biological activities.

}, issn = {1144-0546}, doi = {10.1039/c8nj05737k}, author = {Goswami, Lakshmi and Paul, Sayantan and Kotammagari, Tharun K. and Bhattacharya, Asish K.} } @article {46314, title = {Synthesis of new 1,3,4-oxadiazole and benzothiazolylthioether derivatives of 4-arylmethylidene-3-substituted-isoxazol-5(4H)-one as potential antimycobacterial agents}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {NOV}, pages = {1873-1884}, type = {Article}, abstract = {

A new series of 4-[(substituted benzylidene)-3-[(5-(pyridine-4-yl)-1,3,4-oxadiazole-2-ylthio)-methyl]i soxazol-5(4H)-one (6a-g) and 4-(substituted benzylidene)-3-((benzo[d]thiazol-2-ylthio)methyl)isoxazol-5(4H)-one (8a-g) was synthesized. All the synthesized compounds were screened for antitubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) and antibacterial activity against Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), Bacillus subtilis (NCIM 2162). Amongst the synthesized 1,3,4-oxadiazole and benzothiazoyl thioether derivatives, compounds 6b and 8b showed excellent antimycobacterial activity and compounds 6b, 8a, 8b, and 8d showed excellent antibacterial activity against all tested antibacterial strains. The synthesized compounds were further evaluated for their cytotoxic activity against the HCT 116 and HeLa cancer cell lines. The 1,3,4-oxadiazole and benzothiazoyl thioether derivatives 6a-g and 8a-g did not show cytotoxicity.

}, keywords = {1, 3, 4-Oxadiazole, antibacterial activity, Antitubercular activity, Benzothiazol, Isoxazol-5(4H)-one, Thioeteher}, issn = {1054-2523}, doi = {10.1007/s00044-019-02420-7}, author = {Chavan, Abhijit P. and Deshpande, Rujuta R. and Borade, Nandkumar A. and Shinde, Abhijit and Mhaske, Pravin C. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {46164, title = {Synthesis of ultrathin PEDOT on carbon nanotubes and shear thinning xanthan Gum-H2SO4 gel electrolyte for supercapacitors}, journal = {ChemElectroChem}, volume = {6}, year = {2019}, month = {MAR }, pages = {1861-1869}, type = {Article}, abstract = {

Resistance of the electrode material play a vital role for applications in supercapacitors, where lowering the resistance leads to improved performance. Poly(3,4-ethylene dioxythiophene) (PEDOT) possesses high theoretical conductivity; however, the high density of grain boundaries, low accessible surface area, and low rate capability have been pervasive issues affecting the PEDOT-based supercapacitors. To this end, a hydrothermal method is proposed in this work where oxygen functional groups incorporated on the surface of carbon nanotubes (CNTs) are utilized to polymerize 3,4-ethylenedioxythiophene (EDOT). PEDOT forms an ultrathin, well-aligned coating on the surface of CNTs. This arrangement minimizes the number of grain boundaries and increases the electrochemically active surface area. Additionally, a shear-thinning Xanthan gum-H2SO4 gel electrolyte is introduced to overcome the low impregnation of the conventional polyvinyl-based electrolyte due to the hydrophobicity of the CNT-PEDOT composite. A supercapacitor based on this material showed a very low Equivalent Series Resistance (ESR) of 0.31 which leads to a high power density of 74 W cm(-3).

}, keywords = {gel electrolyte, PEDOT, shear thinning, supercapacitor, xanthan gum}, issn = {2196-0216}, doi = {10.1002/celc.201801780}, author = {Soni, Roby and Bhange, Siddheshwar N. and Athira, E. and Chetry, Rashmi and Kurungot, Sreekumar} } @article {46175, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules (vol 3, e00534-17, 2018)}, journal = {MSphere}, volume = {4}, year = {2019}, month = {APR}, pages = {e00159-19}, type = {Correction}, issn = {2379-5042}, doi = {10.1128/mSphere.00159-19}, author = {Subramanian, Gowtham and Belekar, Meenakshi A. and Shukla, Anurag and Tong, Jie Xin and Sinha, Ameya and Chu, Trang T. T. and Kulkarni, Akshay S. and Preiser, Peter R. and Reddy, D. Srinivasa and Tan, Kevin S. W. and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {46185, title = {Temperature-dependent photoluminescence and energy-transfer dynamics in Mn2+-doped (C4H9NH3)(2)PbBr4 two-dimensional (2D) layered perovskite}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {FEB}, pages = {4739-4748}, type = {Article}, abstract = {

Reported here are the low-temperature photoluminescence (PL), energy-transfer mechanism, and exciton dynamics of Mn2+-doped two-dimensional (2D) perovskites that show interesting differences from their three-dimensionally doped counterpart. Dopant emission in 2D system shows increased PL intensity and shortened lifetime with increase of temperature and strong dopant emission even at low temperatures. Transient absorption (TA) spectroscopy reveals the dominant role of {\textquoteleft}{\textquoteleft}hot{\textquoteright}{\textquoteright} excitons in dictating the fast energy-transfer timescale. The operative dynamics of the generated hot excitons include filling up of existing trap states (shallow and deep) and energy-transfer channel from hot excitons to dopant states. Global analysis and target modeling of TA data provide an estimate of excitons (hot and band edge) to a dopant energy-transfer timescale of similar to 330 ps, which is much faster than the band edge exciton lifetime (similar to 2 ns). Such fast energy-transfer timescale arises due to enhanced carrier exchange interaction resulting from higher exciton confinement, increased covalency, and involvement of hot excitons in the 2D perovskites. In stark contrast to three-dimensional systems, the high energy-transfer rate in 2D system results in high dopant emission intensity even at low temperatures. Increased intrinsic vibronic coupling at higher temperatures further supports efficient Mn2+ sensitization that ultimately dictates the observed temperature dependence of the dopant emission (intensity, lifetime).

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b00207}, author = {Bakthavatsalam, Rangarajan and Biswas, Anupam and Chakali, Madhu and Bangal, Prakriti Ranjan and Kore, Bhushan P. and Kundu, Janardan} } @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 {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 {47163, title = {Three-dimensional printing with waste high-density polyethylene}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {NOV}, pages = {3157-3164}, type = {Article}, abstract = {

Fused filament fabrication (FFF) three-dimensional (3D) printing of semicrystalline polymers such as high density polyethylene (HDPE) is challenging because crystallization-induced shrinkage of the filament, as it cools, results in stresses that warp the printed part and debond it from the print substrate. Here, we demonstrate that waste-derived HDPE can be successfully 3D printed by (i) blending with a small fraction (\<0.5\% by weight) of dimethyl dibenzylidene sorbitol (DMDBS) and (similar to 10\%) linear low density polyethylene (LLDPE) and (ii) printing the object with a thin {\textquoteleft}{\textquoteleft}brim{\textquoteright}{\textquoteright} around it that is adhered to the print substrate using common polyvinyl acetate-based glue. We match our experimental results with FEM simulations that provide insight into the origin of the stresses developed during printing. Because HDPE forms a significant fraction of the plastic waste stream, conversion of waste-derived HDPE to 3D printing filament has important technological implications.

}, keywords = {3d printing polyethylene printing, polymer blend, Recyclability, warpage}, issn = {2637-6105}, doi = {10.1021/acsapm.9b00813}, author = {Gudadhe, Aniket and Bachhar, Nirmalya and Kumar, Anil and Andrade, Prem and Kumaraswamy, Guruswamy} } @article {46134, title = {Triazine functionalized porous covalent organic framework for photo-organocatalytic E-Z isomerization of olefins}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {APR }, pages = {6152-6156}, type = {Article}, abstract = {

Visible light-mediated photocatalytic organic transformation has drawn significant attention as an alternative process for replacing thermal reactions. Although precious metal/organic dyes based homogeneous photocatalysts have been developed, their toxic and nonreusable nature makes them inappropriate for large-scale production. Therefore, we have synthesized a triazine and a keto functionalized nonmetal based covalent organic framework (TpTt) for heterogeneous photo catalysis. As the catalyst shows significant absorption of visible light, it has been applied for the photocatalytic uphill conversion of trans-stilbene to cis-stilbene in the presence of blue light-emitting diodes with broad substrate scope via an energy transfer process.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b01891}, author = {Bhadra, Mohitosh and Kandambeth, Sharath and Sahoo, Manoj K. and Addicoat, Matthew and Balaraman, Ekambaram and Banerjee, Rahul} } @inbook {47482, title = {Ultrasound assisted extraction of the polysaccharide from Tuber aestivum and its in vitro anti-hyperglycemic activity}, booktitle = {Bioactive Carbohydrates and Dietary Fibre}, volume = {20}, year = {2019}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Tuber aestivum is one of the most popular and delicious truffles in the world economic market and is reported to possess a wide range of biological activities. The total carbohydrate of this truffle constitutes about 5.65\% w/w dry weight basis (dwb). The present work compares the yield of the polysaccharide obtained by conventional hot water extraction followed by alcohol precipitation, and ultrasound assisted extraction using low power 150 W probe sonifier. The parameters of ultrasound assisted extraction (amplitude, extraction time, pH, and liquid-solid ratio) from the fruiting body of T. aestivum were optimized using Taguchi orthogonal array and central composite design. The optimal parameters of extraction were a liquid-solid ratio of 75:1 for 15 min at pH 6.5 at an amplitude of 25\%, which yielded 68.91 {\textpm} 1.54\% w/w dwb polysaccharide. The FTIR and SEM characteristics of the polysaccharides obtained by ultrasonic extraction and conventional hot water extraction were similar. Further, the polysaccharides extracted from T. aestivum demonstrated a significant in vitro anti-hyperglycemic activity.}, doi = {10.1016/j.bcdf.2019.100198}, author = {Mudliyar, Devshri S. and Wallenius, Janne H. and Bedade, Dattatray K. and Singhal, Rekha S. and Madi, Nuri and Shamekh, Salem S.} } @article {46410, title = {Unusual epimerization in styryllactones: synthesis of (-)-5-hydroxygoniothalamin, (-)-5-acetylgoniothalamin, and O-TBS-goniopypyrone}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {DEC}, pages = {22549-22556}, type = {Article}, abstract = {

(-)-5-Hydroxygoniothalamin, (-)-5-acetylgoniothalamin, and (+)-5-hydroxygoniothalamin, isolated from the Goniothalamus genus, are synthesized from triacetyl-O-D-glucal by employing the Ferrier reaction, Mitsunobu reaction, and Jones oxidation as key steps. The synthetic procedure also yields the epimers of (-)-5-hydroxygoniothalamin and (+)-5-hydroxygoniothalamin employing acid-mediated transition-metal-free epimerization at C-5 of styryllactones. Further studies reveal that the epimerization is facilitated by the phenyl group present on the styryllactones. Also, depending on the dihydroxylation reaction conditions, various analogues of saturated styryllactones are synthesized utilizing oxa-Michael reaction conditions.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03263}, author = {Kotammagari, Tharun K. and Paul, Sayantan and Bhattacharya, Asish K.} } @article {45627, title = {Utilization of waste biomass for the synthesis of functionalizable support for covalent anchoring of active organo catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {JAN}, pages = {3018{\textendash}3026}, type = {Article}, abstract = {A single step synthetic procedure for carbon microspheres from agricultural waste residue (sugarcane bagasse) by low-temperature hydrothermal carbonization using oxalic acid as a hydrating/dehydrating agent is developed. The FTIR and XPS spectroscopy analysis indicates the presence of -OH, -COOH, and C=O functional groups on the surfaces of carbon spheres. These functional groups of the carbon spheres were utilized as a novel route to anchor 3-aminopropyl-triethoxysilane and 3-(2-aminoethylamino)propyl)-trimethoxysilane via condensation of triethoxy/trimethoxy silanes for the synthesis of organo base supported on carbon catalysts. The catalytic activity of the obtained supported organo-base catalyst was demonstrated for C{\textendash}C bond forming (Henry) reaction. Among all prepared catalysts, 3-(2-aminoethylaminopropyl)-trimethoxysilane grafted in toluene showed high conversion (up to 100\%) of aldehydes with excellent selectivity toward β-nitrostyrene. The catalyst was reused five times without losing significant activity for the same reaction.}, author = {Doke, D. S. and Advani, J. H. and Naikwadi, D. R. and Gawande, M. B. and Walke, P. and Umbarkar, S. B. and Biradar, A. V.} } @article {47166, title = {Vivo wound healing performance of halloysite clay and gentamicin-incorporated cellulose ether-PVA electrospun nanofiber mats}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {SEP}, pages = {4324{\textendash}4334}, type = {Article}, abstract = {

Wound healing is a dynamic and complex process that requires a suitable environment to enhance the rapid healing process. In this context, fabrications of nanofibrous materials with antibiotic and antibacterial properties are becoming extremely important. In this present work, we report on the fabrication and characterization of electro-spun cellulose ether-PVA nanofiber mats loaded with halloysite clay (HNT) and gentamicin sulfate (GS) for faster wound healing applications. The morphology of nanofiber mats was examined by SEM and TEM. The average diameter of the nanofiber mats were in the range of 325 {\textpm} 30 nm. The physicochemical characterizations were done by FT-IR and XRD, which reveal the presence of HNT and GS into the nanofibers. The incorporation of halloysite gave good mechanical strength to the nanofiber mats. Swelling studies indicated the hydrophilicity of the mats. In vitro studies revealed that HNTs are nontoxic to L929 fibroblast cells and also promote cell growth and proliferation. The antibacterial property of HNT was also studied. The slow release of GS from the nanofiber mats was observed for a period of 18 days. The in vivo wound healing studies on the wistar rats for 21 days revealed the wound healing faster within 2 weeks by the incorporation of HNT and GS into the nanofiber mats and hence these nanofiber mats show great potential in acute and chronic wound healing applications.

}, doi = {10.1021/acsabm.9b00589}, author = {Wali, Ashwini and Gorain, Mahadeo and Inamdar, Satish and Kundu, Gopal and Badiger, Manohar V.} } @article {44433, title = {VSe2-reduced graphene oxide as efficient cathode material for field emission}, journal = {Journal of Physics and Chemistry of Solids }, volume = {128}, year = {2019}, month = {MAY}, pages = {384-390}, type = {Journal Article}, abstract = {

Field emission properties of pristine VSe2 and its hybrid with reduced graphene oxide (RGO) have been investigated in detail. Promising field emission performance were noted with lower values of turn-on and threshold fields of \~{}1.3 V μm-1 and 2.12 V μm-1 respectively for the VSe2/RGO hybrid which is much more superior than that of pristine VSe2 emitter and other 2D materials. Density Functional Theory (DFT) simulations have also been performed to qualitatively support our experimental observations through demonstration of Density of States and computation of work function for pristine VSe2 and hybrid VSe2/RGO. The lowering of work function and appearance of additional states near Fermi level from carbon p orbital of RGO is responsible for superior field emission characteristics in hybrid VSe2/RGO compared to pristine VSe2 which supports our experimental observations. Our experimental data and theoretical insight from electronic structure simulations strongly infer that the synthesized hybrid VSe2/RGO has the potential to be tailored as efficient and high performance cathode material in field emission based devices.

}, keywords = {cathode material, Chalcogenide, Density functional theory, field emission, Vanadium diselenide, Work function}, issn = {223697}, doi = {10.1016/j.jpcs.2018.02.020}, author = {Ratha, S.}, editor = {Bankar, P.} } @article {46231, title = {Weak intermolecular interactions in covalent organic framework-carbon nanofiber based crystalline yet flexible devices}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

The redox-active and porous structural backbone of covalent organic frameworks (COFs) can facilitate high-performance electrochemical energy storage devices. However, the utilities of such 2D materials as supercapacitor electrodes in advanced self-charging power-pack systems have been obstructed due to the poor electrical conductivity and subsequent indigent performance. Herein, we report an effective strategy to enhance the electrical conductivity of COF thin sheets through the in situ solid-state inclusion of carbon nanofibers (CNF) into the COF precursor matrix. The obtained COF-CNF hybrids possess a significant intermolecular π{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}π interaction between COF and the graphene layers of the CNF. As a result, these COF-CNF hybrids (DqTp-CNF and DqDaTp-CNF) exhibit good electrical conductivity (0.25 {\texttimes} 10{\textendash}3\ S cm{\textendash}1), as well as high performance in electrochemical energy storage (DqTp-CNF: 464 mF cm{\textendash}2\ at 0.25 mA cm{\textendash}2). Also, the fabricated, mechanically strong quasi-solid-state supercapacitor (DqDaTp-CNF SC) delivered an ultrahigh device capacitance of 167 mF cm{\textendash}2\ at 0.5 mA cm{\textendash}2. Furthermore, we integrated a monolithic photovoltaic self-charging power pack by assembling DqDaTp-CNF SC with a perovskite solar cell. The fabricated self-charging power pack delivered excellent performance in the areal capacitance (42 mF cm{\textendash}2) at 0.25 mA cm{\textendash}2\ after photocharging for 300 s.

}, doi = {10.1021/acsami.9b08625}, author = {Mohammed, Abdul Khayum and Vijayakumar, Vidyanand and Halder, Arjun and Ghosh, Meena and Addicoat, Matthew and Bansode, Umesh and Kurungot, Sreekumar and Banerjee, Rahul} } @article {46189, title = {Why the thin film form of a photocatalyst is better than the particulate form for direct solar-to-hydrogen conversion: a poor man{\textquoteright}s approach}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {FEB}, pages = {6094-6100}, type = {Article}, abstract = {

We demonstrated an easy method to improve the efficiency of photocatalysts by an order of magnitude by maximizing light absorption and charge carrier diffusion. Degussa titania (P25) and Pd/P25 composite photocatalyst thin films coated over regular glass plates were prepared and evaluated for solar hydrogen production in direct sunlight with aqueous methanol. It is worth noting that only UV light present in direct sunlight (similar to 4\%) was absorbed by the catalysts. The hydrogen production activities of catalysts were compared for thin film and particulate forms at 1 and 25 mg levels. The hydrogen yield values suggested that 1 mg thin film form of Pd/P25 provided 11-12 times higher activity than 25 mg powder form. Comparable light absorption throughout the entire thickness of photocatalyst device and better contact of nanostructures that enabled the charge diffusion and charge utilization at redox sites are the reasons for high efficiency. While solar cells require charge carriers to diffuse through long distances of microns, they are utilized locally in an ensemble of particles (of nanometres) for hydrogen generation in photocatalyst thin films; this concept was used effectively in the present work.

}, issn = {2046-2069}, doi = {10.1039/c8ra09982k}, author = {Nalajala, Naresh and Patra, Kshirodra Kumar and Bharad, Pradnya A. and Gopinath, Chinnakonda S.} } @article {46233, title = {Zinc ion interactions in a two-dimensional covalent organic framework based aqueous zinc ion battery}, journal = {Chemical Science}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

The two-dimensional structural features of covalent organic frameworks (COFs) can promote the electrochemical storage of cations like H+, Li+, and Na+\ through both faradaic and non-faradaic processes. However, the electrochemical storage of cations like Zn2+\ ion is still unexplored although it bears a promising divalent charge. Herein, for the first time, we have utilized hydroquinone linked β-ketoenamine COF acting as a Zn2+\ anchor in an aqueous rechargeable zinc ion battery. The charge-storage mechanism comprises of an efficient reversible interlayer interaction of Zn2+\ ions with the functional moieties in the adjacent layers of COF (-182.0 kcal mol-1). Notably, due to the well-defined nanopores and structural organization, a constructed full cell, displays a discharge capacity as high as 276 mA h g-1\ at a current rate of 125 mA g-1.

}, doi = {10.1039/C9SC03052B}, author = {Mohammed, Abdul Khayum and Ghosh, Meena and Vijayakumar, Vidyanand and Halder, Arjun and Nurhuda, Maryam and Kumar, Sushil and Addicoat, Matthew and Kurungot, Sreekumar and Banerjee, Rahul} } @article {46907, title = {2-D to 3-D conversion of WO3 nanostructures using structure directing agent for enhanced NO2 gas sensing performance}, journal = {Sensors and Actuators A-Physical}, volume = {304}, year = {2020}, month = {APR }, pages = {111882}, type = {Article}, abstract = {

An exotic 3-D tungsten oxide (WO3) microflower was synthesized via low-cost and environmental-friendly hydrothermal strategy. The effect of structure-directing agent on the formation of 3-D microflowers from a 2-D nanosheets of WO3 and its gas sensing behavior are investigated. The assynthesized WO3 powder was used in morphological, structural and phase studies by X-ray diffraction (XRD), scanning electron microscopy (SEM), FT-Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The WO3 samples were found to be polycrystalline with monoclinic crystal structure. The SEM micrographs revealed the formation of 3-D microflowers made up of two-dimensional (2-D) multi-directional dendritic nanoplates. The potassium hydroxide (KOH) acts as a structure-directing agent in the formation of 3-D microflowers of WO3 sample. To further understand the formation of 3-D microflowers of WO3 sample, concentration-dependent experiments were carried out by varying KOH concentration and the formation mechanism was investigated. The synthesized WO3 microstructures were subjected to detailed gas sensing tests for different gases at an optimized temperature. A selective, sensitive gas response was obtained for WO3 gas sensor. The lower detection limit is about 1 ppm at 150 degrees C working temperature for an optimized WO3 gas sensor. The gas sensing results indicate that the 3-D microflower-like WO3 nanostructures are highly promising for applications as gas sensors. (C) 2020 Published by Elsevier B.V.

}, keywords = {Microflowers, NO2 detection, WO3}, issn = {0924-4247}, doi = {10.1016/j.sna.2020.111882}, author = {Beknalkar, S. A. and Patil, V. L. and Harale, N. S. and Suryawanshi, M. P. and Patil, A. P. and Patil, V. B. and Kim, J. H. and Patil, P. S.} } @article {46764, title = {3D printing of semicrystalline polypropylene: towards eliminating warpage of printed objects}, journal = {Bulletin of Materials Science}, volume = {43}, year = {2020}, month = {JUL}, pages = {171}, type = {Article}, abstract = {

Fused filament fabrication (FFF) is an extrusion-based 3D printing technique for thermoplastic polymers. In this technique, molten polymer is extruded through a print nozzle and is laid down layer by layer to build up the printed object. Currently, FFF is used primarily to print amorphous or low-crystallinity polymers, such as acrylonitrile butadiene styrene copolymer (ABS) or polylactic acid (PLA). Printing of semicrystalline polymers, such as polyethylene or polypropylene remains particularly challenging. During FFF of semicrystalline polymers, large thermomechanical stresses are generated when the polymer solidifies on cooling. These stresses result in warpage of the printed part. Here, we analyse the factors that influence stresses generated during FFF 3D printing of a commercial semicrystalline polymer, isotactic polypropylene. We investigate the effect of height of the printed object on part warpage, as well the effect of infilling during printing. We demonstrate that the stresses generated during FFF can be substantially decreased by incorporation of a {\textquoteleft}brim{\textquoteright}, viz. a thin layer at the base of the printed object, and by adhering the brim to the print substrate using common polyvinyl acetate-based glue. We systematically investigate the effect of the brim size on the warpage of the printed object. We support our experimental findings with finite element method (FEM) simulations that explain the mechanism of stress buildup during printing. The trend in stresses calculated in the FEM simulations parallel the warpage measured in the experiments. Thus, this work represents an important methodological advance towards warpage-free FFF printing of semicrystalline polymers.

}, keywords = {3D printing, polypropylene printing, warpage}, issn = {0250-4707}, doi = {10.1007/s12034-020-02097-4}, author = {Bachhar, Nirmalya and Gudadhe, Aniket and Kumar, Anil and Andrade, Prem and Kumaraswamy, Guruswamy} } @inbook {47323, title = {Advances in single-atom catalysts for lignin conversion}, booktitle = {Advanced Heterogeneous Catalysts Volume 2: Applications at the Single-Atom Scale }, volume = {1360}, year = {2020}, pages = {93-125}, publisher = {ACS }, organization = {ACS }, abstract = {

Single-atom catalysts (SACs) have drawn significant attention as promising surfaces for promoting observable reaction processes. As a guideline, SACs should have the proper nanoscale dimensionality to influence their effective and efficient performance, especially during lignin conversion to platform chemicals and other useful products. The development of SACs for functional applications still has many difficulties, such as harnessing and improving low-coordinated metal atoms to have controlled and observable activities per metal atom. Consequently, the need arises to ensure a decrease in the size of the metal particles and their uniform dispersion or coordination on a suitable support material. This has been an industrial target for a long time in the field of catalysis. Supported metal-based catalysts are not dimensionally uniform, thereby reducing their metal-atom efficiency and frequently leading to undesired side reactions that are sometimes difficult to observe. This makes the identification of the active sites responsible for the reaction of interest very difficult or even impossible. To ameliorate this challenge, the ultimate small-size limit for a metal particle is the SAC, which contains isolated metal atoms singly dispersed on any suitable support materials. It is expected that SACs should maximize the metal-atom efficiency with respect to the application, which is particularly significant for supported metal catalysts. Moreover, through uniform single-atom dispersion, SACs offer a great opportunity for achieving high activity and tuning selectivity to the desired product. This chapter provides a comprehensive overview of recent advances in using SACs for the conversion of lignin or lignin model compounds. The different support materials used for SACs, such as zeolites, metal oxides, and carbonaceous and siliceous materials, are discussed. This contribution also covers the catalytic reactions of lignin with an emphasis on cleaving its specific linkages, along with a systematic evaluation of SACs used in the relevant processes. The chapter also addressed key parameters essential for tailoring the particle size and acid{\textendash}base and redox properties of the SACs used in lignin conversion. Special attention is paid to understanding the role of synthesis conditions in tailoring the size of SACs. It is expected that this contribution will provide future directions for practical SAC development and implementation in lignin conversion.

}, doi = {10.1021/bk-2020-1360.ch005}, author = {Halilu, Ahmed and Umar, Ahmad Abulfathi and Balarabe, Yahaya Umar and Haniffa, Mhd. Abd. Cader Mhd. and Munawar, Khadija and Sunku, Kiran and Sudarsanam, Putla} } @article {46750, title = {AIE emission of SDS capped diphenylanthracene nanoparticles for selective recognition and estimation of Al(3+)ion in aqueous medium based on enhancement effect and analytical application}, journal = {Macromolecular Symposia}, volume = {392}, year = {2020}, month = {AUG}, pages = {2000082}, type = {Proceedings Paper}, abstract = {

The sodium dodecyl sulfate capped 9,10 Diphenylanthracene nanoparticles is prepared by using reprecipitation method. The average particle size of NPs obtained from DLS examination is 67 nm. The aqueous suspension of NPs exhibits red shifted aggregation induces enhanced emission. The zeta potential value-42.9 mV indicates stability of NPs and generation of expected negative surface charge over the NPs to attract and adsorb cations from the solution on the surface. The cation recognition test based on fluorescence shows that the presence of Al(3+)ion significantly enhances the fluorescence of NPs. Furthermore, the proposed system is successfully applied for the detection of Al(3+)ion from environmental water samples and Digene table available in the market. The advantage of developed analytical method is lower value of LOD and even in presence of interfering ion Mg(2+)the Al(3+)is estimated with no need of their separation prior to analysis.

}, keywords = {10-Diphenyl anthracene nanoparticles, aggregation induced enhanced emission, Al(3+)detection, fluorescence enhancement, SDS capped 9}, issn = {1022-1360}, doi = {10.1002/masy.202000082}, author = {Suryawanshi, Sonali B. and Deshmukh, Gunvant R. and Bodake, Anita J. and Patil, Shivajirao R.} } @article {46752, title = {Antibacterial properties of glycosylated surfaces: variation of the glucosidal moiety and fatty acid conformation of grafted microbial glycolipids}, journal = {Molecular Systems Design \& Engineering}, volume = {5}, year = {2020}, month = {AUG}, pages = {1307-1316}, type = {Article}, abstract = {

Glycosylated surfaces can display antimicrobial properties. It has been shown that sophorolipids can be used to develop biocidal coatings against Gram-positive and Gram-negative bacteria, but with a limited efficiency so far. Therefore, it appears necessary to further investigate the surface antibacterial activity of a broader set of structurally related glycolipids. The present work explores the influence of the glucosidic moiety (gluco-, sophoro-, cellobio-) and the fatty acid backbone (saturated,cisortransmonounsaturated). We show that the fatty acid backbone plays an important role:cisderivative of sophorolipids (SL) grafted onto model gold surfaces has better biocidal properties than saturated (SL0) andtransmonounsaturated (SLt) molecules, which appear to be inefficient. The number of glucose units is also a key factor: a one-third decrease in antibacterial activity is observed when having one glucose unit (GL) compared to two (SL). Sugar acetylation (SLa) does not seem to have an impact on the biocidal properties of surfaces. These results are not limited to sophorolipids, with cellobioselipids (CL) leading to similar antibacterial observations.

}, issn = {2058-9689}, doi = {10.1039/d0me00059k}, author = {Valotteau, Claire and Roelants, Sophie L. K. V. and Dhasaiyan, Prabhu and Zibek, Susanne and Guenther, Michael and Soetaert, Wim and Everaert, Bernd and Pradier, Claire-Marie and Babonneau, Florence and Baccile, Niki and Humblot, Vincent} } @article {47015, title = {Anticancer activity of lectins from bauhinia purpurea and wisteria floribunda on breast cancer MCF-7 cell lines}, journal = {Protein and Peptide Letters}, volume = {27}, year = {2020}, month = {JAN}, pages = {870-877}, type = {Article}, abstract = {

Background: Individual and collaborative efforts are being made worldwide in search of effective chemical or natural drugs with less severe side-effects for treatment of cancer. Due to the specificity and selectivity properties of lectins for saccharides, several plant lectins are known to induce cytotoxicity into tumor cells. Objective: To study the antiproliferative activity of two N-acetyl galactosamine specific plant lectins from seeds of Bauhinia purpurea and Wisteria floribunda against MCF-7 Breast cancer cell lines. Methods: MTT, lactate dehydrogenase (LDH) leakage, reactive oxygen species (ROS), and caspase-3 assays and flow cytometry for cell cycle analysis were performed. Results: The agglutinins BPL and WFL; 446 mu gml(-1) (2.2 mu M) and 329 mu gml(-1) (2.8 mu M), respectively caused remarkable concentration-dependent antiproliferative effect on MCF-7. The effect was seen to be a consequence of binding of the lectin to the cell surface and triggering S and G2 phase arrest. Apoptosis induced was found to be associated with LDH leakage, cell cycle arrest and ROS generation. The apoptotic signal was observed to be amplified by activation of caspase-3 resulting in cell death. Conclusion: The study provides a base for detailed investigation and further use of lectins in cancer studies.

}, keywords = {anti-cancer, antiproliferative, Apoptosis, caspase-3, cell cycle arrest, Lectins, MCF-7, reactive oxygen species}, issn = {0929-8665}, doi = {10.2174/0929866527666200408143614}, author = {Agrawal, Sanskruthi B. and Gupta, Neha and Bhagyawant, Sameer S. and Gaikwad, Sushama M.} } @article {47014, title = {Antidiabetic activity of dihydropyrimidine scaffolds and structural insight by single crystal x-ray studies}, journal = {Medicinal Chemistry}, volume = {16}, year = {2020}, month = {JAN}, pages = {996-1003}, type = {Article}, abstract = {

Background: This research project is designed to identify the anti-diabetic effects of the newly synthesized compounds to conclude the perspective of consuming one or more of these new synthetic compounds for diabetes management. Introduction: A series of dihydropyrimidine (DHPM) derivative bearing electron releasing and electron-withdrawing substituent{\textquoteright}s on phenyl ring (a-j) were synthesized and screened for antihyperglycemic(anti-diabetic) activity on streptozotocin (STZ) induced diabetic rat model. The newly synthesized compounds were characterized by using FT-IR, melting point, H-1 and C-13 NMR analysis. The crystal structure and supramolecular features were analyzed through single-crystal X-ray study. Anti-diabetic activity testing of newly prepared DHPM scaffolds was mainly based on their relative substituent on the phenyl ring along with urea and thiourea. Among the synthesized DHPM scaffold, the test compound c having chlorine group on phenyl ring at the ortho position to the hydropyrimidine ring with urea and methyl acetoacetate derivative shows moderate lowering of glucose level. However, the title compounds methyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimi dine-5-carboxylate(g) and ethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydroprimidine- 5-carboxylate(h) having methoxy and ethoxy substituents on phenyl ring show significant hypoglycemic activity compared to the remaining compounds from the Scheme 1. Methods: The experimental rat models for the study were divided into 13 groups (n = 10); group 1 animals were treated with 0.5\% CMC (0.5mL) (vehicle); group 2 were considered the streptozotocin (STZ)/nicotinamide diabetic control group (DC) and untreated, group 3 diabetic animals were administered with gliclazide 50 mg/kg and act as a reference drug group. The remaining groups of the diabetic animals were administered with the newly synthesized dihydropyrimidine compounds in a single dose of 50 mg/kg orally using the oral gavage, daily for 7 days continuously. The blood glucose level was measured before and 72 hrs after nicotinamide-STZ injection, for confirmation of hyperglycemia and type 2 diabetes development. Results: Blood glucose levels were significantly (p\<0.05) reduced after treatment with these derivatives. The mean percentage reduction for gliclazide was 50\%, while that of synthesized compounds were approximately 36\%. Conclusion: Our result suggests that the synthesized new DEEM derivative containing alkoxy group on the phenyl ring shows a significant lowering of glucose level compared to other derivatives.

}, keywords = {anti-Diabetic, blood glucose levels, dihydropyrimidine, hypoglycemic activity, Streptozotocin, type 2 diabetes mellitus}, issn = {1573-4064}, doi = {10.2174/1573406416666191227123048}, author = {Bairagi, Keshab M. and Younis, Nancy S. and Emeka, Promise M. and Sangtani, Ekta and Gonnade, Rajesh G. and Venugopala, Katharigatta N. and Alwassil, I. Osama and Khalil, Hany E. and Nayak, Susanta K.} } @article {46625, title = {Approach to nigericin derivatives and their therapeutic potential}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {43085-43091}, type = {Article}, abstract = {

A new nigericin analogue that has been chemically modified was synthesized through a fluorination process from the parent nigericin, produced from a novel Streptomyces strain DASNCL-29. Fermentation strategies were designed for the optimised production of nigericin molecule and subjected for purification and structural analysis. The fermentation process resulted in the highest yield of nigericin (33\% (w/w)). Initially, nigericin produced from the strain DASNCL-29 demonstrated polymorphism in its crystal structure, i.e., monoclinic and orthorhombic crystal lattices when crystallised with methanol and hexane, respectively. Furthermore, nigericin produced has been subjected to chemical modification by fluorination to enhance its efficacy. Two fluorinated analogues revealed that they possess a very potent antibacterial activity against Gram positive and Gram negative bacteria. To date, the nigericin molecule has not been reported for any reaction against Gram-negative bacteria, which are increasingly becoming resistant to antibiotics. For the first time, fluorinated analogues of nigericin have shown promising activity. In vitro cytotoxicity analysis of fluorinated analogues demonstrated tenfold lesser toxicity than the parent nigericin. This is the first type of study where the fluorinated analogues of nigericin showed very encouraging activity against Gram-negative organisms; moreover, they can be used as a candidate for treating many serious infections.

}, doi = {10.1039/d0ra05137c}, author = {Sahu, Amit Kumar and Said, Madhukar S. and Hingamire, Tejashri and Gaur, Megha and Khan, Abujunaid and Shanmugam, Dhanasekaran and Barvkar, Vitthal T. and Dharne, Mahesh S. and Bharde, Atul A. and Dastager, Syed G.} } @article {47018, title = {Archeal Di-O-geranylgeranyl glyceryl phosphate synthase of a UbiA superfamily member provides insight into the multiple human diseases}, journal = {Protein and Peptide Letters}, volume = {27}, year = {2020}, month = {JAN}, pages = {568-573}, type = {Review}, abstract = {

One of the unique characteristic features of the domain archaea, are the lipids that form the hydrophobic core of their cell membrane. These membrane lipids are characterized by distinctive isoprenoid biochemistry and the building blocks are two core lipid structures, sn-2,3-diphytanyl glycerol diether (archaeol) and sn-2,3-dibiphytanyl diglycerol tetraether (caldarchaeol). Archaeol has two phytanyl chains (C-20 in a bilayer structure connected to the glycerol moiety by an ether bond. The enzyme involved in this bilayer formation is Di-O-Geranylgeranyl Glyceryl Phosphate Synthase (DGGGPS), which is a member of a very versatile superfamily of enzymes known as UbiA superfamily. Multiple sequence analysis of the typical members of the UbiA superfamily indicates that the majority of conserved residues are located around the central cavity of these enzymes. Interestingly few of these conserved residues in the human homologs are centrally implicated in several human diseases, on basis of the major mutations reported against these diseases in the earlier clinical studies. It remains to he investigated about the role of these conserved residues in the biochemistiy of these enzymes. The binding and active site of these enzymes found to be similar architecture but have different substrate affinities ranging from aromatic to linear compounds. So further investigation of UbiA superfamily may be translated to novel therapeutic and diagnostic application of these proteins in human disease management.

}, keywords = {Archeal lipids, biA superfamily, DGGGPS, genetic diseases, lipid synthesis, membrane protein}, issn = {0929-8665}, doi = {10.2174/0929866526666191209143948}, author = {Boral, Debjyoti and Rao, Vamkudoth Koteswara and Ramasamy, Sureshkumar} } @article {46728, title = {Bifunctional rice husk-derived SiO2-Cu-Al-Mg nanohybrid catalyst for one-pot conversion of biomass-derived furfural to furfuryl acetate}, journal = {Fuel}, volume = {275}, year = {2020}, month = {SEP }, pages = {117953}, type = {Article}, abstract = {

Developing one-pot reaction methodologies, which typically require multifunctional catalyst systems, is crucial for sustainable production of bio-derived fuels and chemicals. This work reports one-pot hydrogenation-esterification of furfural to furfuryl acetate using a bifunctional metal-based nanohybrid catalyst, composed of rice husk (RH) derived SiO2, Cu, Al, and Mg species (RHSiO2-Cu-Al-Mg). For comparison, the catalytic efficiency of RHSiO2-Cu and RHSiO2-Cu-Al were tested under similar reaction conditions. Various analytical techniques were used to elucidate the physicochemical, textural, and acid-redox properties of the catalysts. It was found that the RHSiO2-Cu-Al-Mg catalyst contains an optimum amount of acid and redox sites, as illustrated by NH3-TPD and H-2-TPR studies, respectively. Especially, Mg addition played a vital role in tailoring acidity of the RHSiO2-Cu-Al catalyst to promote in-situ esterification of furfuryl alcohol with acetic acid to yield furfuryl acetate. As a result, the RHSiO2-Cu-Al-Mg catalyst exhibited the best performance in one-pot conversion of furfural to furfuryl acetate, outperforming various noble metal/silica based catalysts. This study offers potential opportunities for the rational design of novel, bifunctional heterogeneous catalysts for efficient production of bio-derived fuels and value added chemicals.

}, keywords = {Acid-redox sites, Bifunctional catalyst, Bio-oil upgrading, One-pot furfural conversion, Rice husk silica}, issn = {0016-2361}, doi = {10.1016/j.fuel.2020.117953}, author = {Hashim, Luqman H. and Halilu, Ahmed and Sudarsanam, Putla and Umar, Yahaya Balarabe and Bin Johan, Mohd Rafie and Bhargava, Suresh K.} } @article {46704, title = {Bimetallic palladium nickel nanoparticles anchored on carbon as high-performance electrocatalysts for oxygen reduction and formic acid oxidation reactions}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {9285-9295}, type = {Article}, abstract = {

{Herein, we report the synthesis of carbon-supported palladium-nickel electrocatalysts (ECs) (Pd4-xNix/C ECs

}, keywords = {electrocatalysts, Formic Acid Oxidation, fuel cells, oxygen reduction reaction, palladium-nickel alloy}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01622}, author = {Goswami, Chiranjita and Saikia, Himadri and Tada, Kohei and Tanaka, Shingo and Sudarsanam, Putla and Bhargava, Suresh K. and Bharali, Pankaj} } @article {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 {47319, title = {Boron nitride and oxide supported on dendritic fibrous nanosilica for catalytic oxidative dehydrogenation of propane}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {NOV }, pages = {16124-16135}, type = {Article}, abstract = {

In this work, we were able to significantly increase the activity of boron nitride (BN) catalysts used for the oxidative dehydrogenation (ODH) of propane by designing and synthesizing BN supported on dendritic fibrous nanosilica (DFNS). DFNS/BN showed a markedly increased catalytic efficiency, accompanied by exceptional stability and selectivity. Textural characterization, together with solid-state nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopic analyses, indicates the presence of a combination of unique fibrous morphology of DFNS and various boron sites connected to silica to be the reason for this increase in the catalytic performance. Notably, DFNS/B2O3 also showed catalytic activity, although with more moderate selectivity compared to that of DFNS/BN. Solid-state NMR spectra indicate that the higher selectivity of DFNS/BN might stem from a larger amount of hydrogen-bonded hydroxyl groups attached to B atoms. This study indicates that both boron nitride and oxide are active catalysts and by using high surface area support (DFNS), conversion from propane to propene as well as productivity of olefins was significantly increased.

}, keywords = {Electron microscopy, heterogeneous catalysis, Nanostructures, NMR spectroscopy, propane dehydrogenation, X-ray diffraction, X-ray photoelectron spectroscopy}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c04148}, author = {Belgamwar, Rajesh and Rankin, Andrew G. M. and Maity, Ayan and Mishra, Amit Kumar and Gomez, Jennifer S. and Trebosc, Julien and Vinod, Chathakudath P. and Lafon, Olivier and Polshettiwar, Vivek} } @article {46792, title = {Can half-a-monolayer of pt simulate activity like that of bulk pt? solar hydrogen activity demonstration with quasi-artificial leaf device}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUL }, pages = {30420-30430}, type = {Article}, abstract = {

Pt is the best cocatalyst for hydrogen production. It is also well-known that the surface atomic layer is critical for catalysis. To minimize the Pt content as cocatalyst, herein we report on half-a-monolayer of Pt (0.5 theta(Pt)) decorated on earth-abundant Ni-Cu cocatalyst, which is integrated with a quasiartificial leaf (QuAL) device (TiO2/ZnS/CdS) and demonstrated for efficient solar hydrogen production. For the QuAL, TiO2 is sensitized with ZnS and CdS quantum dots by the SILAR method. The 0.5 theta(Pt)-decorated Ni-Cu shows an onset potential of 0.05 V vs reversible hydrogen electrode for the hydrogen evolution reaction, which is almost similar to that of commercial Pt/C. Photoactivity of the present QuAL device with either bulk Pt or 0.5 theta(Pt)-coated Ni-Cu cocatalyst is, surprisingly, equal. Our findings underscore that a fraction of a monolayer of Pt can enhance the activity of the cocatalyst, and it is worth exploring further for the high activity associated with atomic Pt and other noble metals.

}, keywords = {artificial leaf, nickel-copper, Photocatalysis, platinum, Solar hydrogen}, issn = {1944-8244}, doi = {10.1021/acsami.0c07431}, author = {Bajpai, Himanshu and Patra, Kshirodra Kumar and Ranjan, Ravi and Nalajala, Naresh and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {47148, title = {Carbon supported size-controlled ru catalysts for selective levulinic acid hydrogenation into γ-valerolactone}, journal = {Journal of Siberian Federal University-Chemistry}, volume = {13}, year = {2020}, month = {JAN}, pages = {5-16}, type = {Article}, abstract = {

Liquid phase levulinic acid hydrogenation into γ-valerolactone in 1,4-dioxane as a solvent (165{\textdegree}C, 20 bar) was studied over a range of Ru monometallic catalysts using mesoporous carbon material Sibunit as a support. In addition to the catalyst prepared by impregnation with RuCl3.nH2O (0.1 M) followed by reduction in H2, size-controlled Ru(NPs)/Sibunit catalysts were synthesized by immobilization of polyvinylpyrrolidone (PVP) stabilized Ru nanoparticles (NPs) (dRu=2.4 nm). Сarbon supported colloidal Ru NPs were not studied earlier in levulinic acid hydrogenation. Activity of colloidal Ru(NPs)/Sibunit catalysts was found to be lower than that of impregnated Ru/Sibunit which could be attributed to hampering effect of PVP. However, colloidal Ru(NPs)/Sibunit purified by thermal treatment in air (180{\textdegree}C) followed by reduction in H2 (400{\textdegree}C) exhibited the same activity as impregnated one yielding 93\% γ-valerolactone at 100\% levulinic acid conversion. Applicability of supported PVP-assisted colloidal Ru NPs in hydrogenation of levulinic acid illustrates a potential to prepare more efficient catalysts for this reaction with a desired particle size. The catalysts were characterized by TEM, XRF, and N2 physisorption to compare their physical chemical properties.

}, doi = {10.17516/1998-2836-0166}, author = {Simakova, Irina L. and Demidova, Yuliya S. and Simonov, Mikhail N. and Niphadkar, Prashant S. and Bokade, Vijay V. and Devi, Nandini and Dhepe, Paresh L. and Murzin, Dmitry Yu} } @article {46685, title = {CD44, a predominant protein in methylglyoxal-induced secretome of muscle cells, is elevated in diabetic plasma}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25016-25028}, type = {Article}, abstract = {

Methylglyoxal (MG), a glycolytic intermediate and reactive dicarbonyl, is responsible for exacerbation of insulin resistance and diabetic complication. In this study, NIG-induced secretome of rat muscle cells was identified and relatively quantified by SWATH-MS. A total of 643 proteins were identified in MG induced{\textquoteright} secretome, of which 82 proteins were upregulated and 99 proteins were downregulated by more than 1.3-fold in SWATH analysis. Further, secretory proteins from the dassical secretory pathway and nonclassical secretory pathway were identified using SignalP and SecretomeP, respectively. A total of 180 proteins were identified with SignalP, and 113 proteins were identified with SecretomeP. The differentially expressed proteins were functionallyannotated by KEGG pathway analysis using Cytoscape soft ware with plugin clusterMaker. The differentially expressed proteins were{\textquoteright}sfound to he involved m various pathways like extracellular matrix (ECM) receptor interaction, leukocyte transendothelial migration, fluid shear tress and atherosclerosis, complement and coagulation cascades, and lysosomal pathway. Since the MG levels are high in diabetic conditions, the presence of MG-induced isecreted proteins was inspected {\textquoteleft}by profiling human plasma of healthy and diabetic subjects (n = 10 each). CD44, a predominant MG -induced secreted protein, was found to be elevated in the diabetic plasma and to have a role in the development of insulin resistance.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c01318}, author = {Bai, Shakuntala and Chaurasiya, Arvindkumar H. and Banarjee, Reema and Walke, Prachi B. and Rashid, Faraz and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {46844, title = {Characterisation of hyper tolerant Bacillus firmus L-148 for arsenic oxidation}, journal = {Environmental Pollution}, volume = {261}, year = {2020}, month = {JUN}, pages = {114124}, type = {Article}, abstract = {

Groundwater arsenic pollution causes millions of deaths worldwide. Long term natural and anthropogenic activities have increased arsenic levels in groundwater causing higher threats of arsenic exposure. Arsenic hyper-tolerant Firmicute Bacillus firmus L-148 was isolated from arsenic limiting Lonar lake soil, which tolerated more than 3 M arsenic and could oxidize 75 mM arsenite [As(III)] in 14 days. It oxidized As(III) in presence of heavy metals and had unusual pH optima at 9.2. B. firmus L-148 was studied at the biochemical, protein, genomic and transcript level for understanding its arsenic oxidizing machinery. The proteomic and transcript analysis exhibited the presence of ars and aio operon and supported the inducible nature of ars operon. Robust, hyper-tolerant, fast As(III) oxidizing, least nutrient requiring and multi-metal resistance qualities of the strain were used in microcosm studies for bioremediation. Artificial groundwater mimicking microcosm with 75 mM As(III) was developed. Modulation of carbon source, iron and multi metals affected growth and As(III) oxidation rate. The As(III) oxidation was recorded to be 77\% in 15 days in presence of sodium acetate and Fe ions. This microcosm study can be explored for bioremediation of arsenic contaminated water and followed by precipitation using other methods. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Arsenic hyper-tolerance, Lonar lake, Microcosm studies, Multi-metal resistance, Next generation sequencing}, issn = {0269-7491}, doi = {10.1016/j.envpol.2020.114124}, author = {Bagade, Aditi and Nandre, Vinod and Paul, Dhiraj and Patil, Yugendra and Sharma, Nisha and Giri, Ashok and Kodam, Kisan} } @article {46688, title = {CO2 hydrogenation to formate by palladium nanoparticles supported on N-incorporated periodic mesoporous organosilica}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {OCT }, pages = {14765-14774}, type = {Article}, abstract = {

Development of a heterogeneous catalyst capable of selective transformation of CO2 to valuable products still remains a challenge. In this article, we account for the surfactant-directed synthesis of a new framework-incorporated nitrogen-containing periodic mesoporous organosilica nanosphere (NPMO). A thoroughly characterized N-incorporated hybrid PMO was utilized as a platform for stabilizing well-dispersed and easily accessible Pd nanoparticles (Pd-NPMO) without using any stabilizing agents or expensive dendrimers. Further, this bifunctional hybrid catalyst has been demonstrated to heterogeneously catalyze aqueous phase CO2 hydrogenation (CO2/H-2 ratio 1:3) for the direct synthesis of formate under 4 MPa pressure and at 100 degrees C. To validate the superior performance of the Pd-NPMO catalyst, we compared the activity with Pd-SBA-15 catalysts, and the results showed a 10-fold increase in turnover frequency of 108 h(-1) using Pd on NPMO which envisaged the crucial role of nitrogen sites in this catalyst to boost the CO2 valorization to formate.

}, keywords = {CO2 hydrogenation, Formic acid synthesis, Hybrid silica, Pd nanoparticles, PMO}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c03860}, author = {Betsy, K. J. and Lazar, Anish and Pavithran, Anjuna and Vinod, C. P.} } @article {46843, title = {Cobalt-based metal complexes prevent repeat tau aggregation and nontoxic to neuronal cells}, journal = {International Journal of Biological Macromolecules}, volume = {152}, year = {2020}, month = {JUN }, pages = {171-179}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a fatal neurodegenerative disorder with an alarming increase in the death rate every year. AD is characterised by an aberrant accumulation of proteins in the form of aggregates. The axonal microtubule-associated protein Tau and arnyloid-beta undergo structural transition to beta-sheet rich structure and form aggregates in neuronal soma as well as in the extracellular region. The loss of Tau from microtubules leads to the disintegration of axon and causing neuronal degeneration. This led to the development of effective drugs against AD, to prevent Tau aggregation. Here, we synthesized and screen metal-based complexes to prevent Tau protein aggregation. ThS fluorescence and TEM suggested the role of synthetic cobalt complexes in inhibiting Tau aggregation. CD spectroscopy showed that these complexes prevented conformational changes in Tau to beta-sheet. CBMCs were not toxic at lower concentrations and formed non-toxic Tau species. L1 and L2 prevented membrane leakage: whereas, higher concentrations of L3 caused membrane leakage as observed by LDH release assay. The overall results indicate the synthetic cobalt complexes to be a promising molecule against AD. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Alzheimer{\textquoteright}s disease, Cobalt-based metals, Tau Aggregation, Tau inhibition, Tau toxicity}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.02.278}, author = {Gorantla, V. Nalini and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {46853, title = {Co@CoAl-layered double hydroxide/nitrogen-doped graphene composite catalyst for Al-H2O-based batteries: simultaneous hydrogen production and electricity generation}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {JUN}, pages = {2582-2591}, type = {Article}, abstract = {

Currently, the low energy efficiency of water electrolysis has compelled research toward the development of novel and energy-effective strategies for low-cost H-2 generation. In this context, we report a new concept of simultaneous H-2 and electricity generation by separating out the exothermic self-sustained Al-H2O reaction via electrochemistry. In addition, to catalyze the cathodic water reduction reaction, a single-pot and environmentally benign synthesis method is adopted. It results in the design of an electrocatalyst composed of Co@CoAl-layered double hydroxide core-shell nanospheres anchored over in situ generated N-doped graphene. Toward the water reduction reaction, the designed catalyst shows a negative voltage shift of mere around 113 mV with respect to the commercial Pt/C catalyst to reach the benchmark 10 mA cm(-2), with excellent stability of approximately 86 \% voltage retention after 12 h of continuous operation. The catalytic superiority of our material is evident when taken for battery-level testing; the fabricated device was able to deliver an average output voltage of around 0.95 V at a discharge current density of 5 mA cm(-2) along with H-2 liberation, which was also detected and quantified through gas chromatography.

}, keywords = {Al-H2O fuel cells, chronopotentiometry, core-shell structures, hydrogen evolution reaction, layered double hydroxides}, issn = {2196-0216}, doi = {10.1002/celc.202000502, Early Access Date = MAY 2020}, author = {Nadeema, Ayasha and Pandurang Kharabe, Geeta and Prakash Biswal, Dibya and Kurungot, Sreekumar} } @article {46824, title = {Conjunctive photoluminescence enhancement through plasmonic and photonic band-gap pathways in a chiral self-assembled system}, journal = {ChemPhotoChem}, volume = {4}, year = {2020}, month = {AUG}, pages = {582-591}, type = {Article}, abstract = {

We describe two parallel pathways for enhancing the intrinsic photoluminescence of an organic emitter dispersed in a liquid crystal (LC) medium. The pathways have independent origins: (i) Metal enhanced fluorescence (MEF) incorporating gold nanoparticles having an organic shell of pro-mesogenic cholesterol esters; and (ii) Matching the photonic band gap (PBG) due to the helical structure in a self-assembled chiral system with the excitation wavelength. This unprecedented combination of both pathways achieves a level of photoluminescence exceeding the sum of the contribution from the individual methods. This conjunctive protocol results in an overall enhancement by a factor of 37 between the emitter dispersed in a non-chiral LC and that appealing to both MEF and PBG pathways. Circular polarized luminescence measurements also show that this protocol helps in effective discrimination of chiral light achieving a large dissymmetry factor whose magnitude (+0.33) is comparable to the highest recorded to date. Electric field switching between two states is also shown to result in appreciable fluorescence modulation. Being generic in nature the protocol employed can be adapted to a variety of situations with the large magnitude as well the modulation level suitable for applications such as biosensors, various analyte detection, and other photonic devices.

}, keywords = {chirality, circularly polarized luminescence, liquid crystals, photonic band-gap, plasmonics}, issn = {2367-0932}, doi = {10.1002/cptc.202000077, Early Access Date = JUN 2020}, author = {Baral, Marlin and Krishna Prasad, S. and Bhat, Sachin A. and Nayak, Rashmi A. and Yelamaggad, C. V.} } @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 {46964, title = {Continuous time random walk concepts applied to extended mode coupling theory: a study of the Stokes? Einstein breakdown}, journal = {Journal of Physics-Condensed Matter}, volume = {32}, year = {2020}, month = {FEB}, pages = {064001}, type = {Article}, abstract = {

In an attempt to extend the mode coupling theory (MCT) to lower temperatures, some years back an Unified theory was proposed which within the MCT framework incorporated the activated dynamics via the random first order transition theory (RFOT). The theory successfully showed that there is hopping induced diffusive dynamics and the modified MCT coupled to the activated motion continues till low temperatures. Here we show that the theory although successful in describing other properties of supercooled liquids is unable to capture the Stokes?Einstein breakdown. We then show using continuous time random work (CTRW) formalism that the Unified theory is equivalent to a CTRW dynamics in presence of two waiting time distributions. It is known from earlier work on CTRW that in such cases the total dynamics is dominated by the fast motion. This explains the failure of the Unified theory in predicting the SE breakdown as both the structural relaxation and the diffusion process are described by the comparatively fast MCT like dynamics. The study also predicts that other forms of extended MCT with Markovian hopping kernel will face a similar issue. We next modify the Unified theory by applying the concept of renewal theory, usually used in CTRW models where the distribution has a long tail. According to this theory the first jump given by the persistent time is slower than the subsequent jumps given by the exchange time. We first show that for systems with two waiting time distributions even when both the distributions are exponential the persistent time is larger than the exchange time. We also identify the persistent time with the slower activated process. The extended Unified theory can now explain the SE breakdown. In this extended theory at low temperatures the structural relaxation is described by the activated dynamics whereas the diffusion is primarily determined by the MCT like dynamics leading to a decoupling between them. We also calculate a dynamic lengthscale from the wavenumber dependence of the relaxation time. We find that this dynamic length scale grows faster than the static length scale.

}, keywords = {continuous time random walk, mode coupling theory, Stokes?Einstein breakdown}, issn = {0953-8984}, doi = {10.1088/1361-648X/ab50d4}, author = {Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {46872, title = {Controlled synthesis of two-dimensional (2-D) ultra-thin bismuth selenide (Bi2Se3) nanosheets by bottom-up solution-phase chemistry and its electrical transport properties for thermoelectric application}, journal = {FlatChem}, volume = {21}, year = {2020}, month = {MAY}, pages = {100165}, type = {Article}, abstract = {

Bismuth Selenide and associated compounds inheriting stacked layered structure represent a unique class of materials where bulks are insulating with conducting surfaces, best known as thermoelectric materials. The bottom-up solution-based approach is a convenient alternative producing ultrathin high quality two-dimensional Bi2Se3 nanosheets. The present investigation deals with glycol mediated synthesis of highly crystalline ultrathin Bi2Se3 nanosheets. The as-synthesized Bi2Se3 nanosheets exhibit a rhombohedral crystal structure with a substantial surface-to-volume ratio that can possess several potential applications. Besides, the ultrathin Bi2Se3 nanosheets produced herein, found to be n-type with robust spatial confinement of charge carriers advantageous for thermoelectric applications, delivering a high-power factor of 1.55 mu W/cmK(2) at 150 degrees C. The method demonstrates the generic feature of the solution phase technique for the synthesis of highly crystalline nanosheets allowing mass production of identical ultra-thin nanosheets that can be easily integrated into devices for several promising applications, including spintronics, energy storage, and topological quantum computation.

}, keywords = {Rhombohedral structure, Sheet-like structure, Thermoelectric nanomaterials, transmission electron microscopy, XPS Spectra}, issn = {2452-2627}, doi = {10.1016/j.flatc.2020.100165}, author = {Bin Masood, Khalid and Kumar, Pushpendra and Giri, Rajiv and Singh, Jai} } @article {46953, title = {Controlling and stabilization of Ru nanoparticles by tuning the nitrogen content of the support for enhanced H-2 production through aqueous-phase reforming of glycerol}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {FEB}, pages = {2489-2507}, type = {Article}, abstract = {

The stable activity of catalysts is an important issue in catalysis, particularly aqueous-phase reforming (APR) of renewable oxygenates, of biomass origin, to get H-2. Sintering of metal nanoparticles on supports affects catalyst stability. To alleviate this problem, a series of highly stable Ru-supported catalysts with controlled metal nanoparticle sizes have been prepared via the easy incipient wetness impregnation method. These catalysts were used for APR of glycerol to produce H-2. Nitrogen-doped mesoporous carbons (NMCs) were utlized as supports and found to have a strong influence on the catalytic performance of the catalysts. Incorporation of nitrogen in the carbon framework significantly enhanced the catalytic activity compared to Ru catalysts on nitrogen-free supports. Notably, the catalyst (5 wt \% Ru-NMC-3) with optimal N content (10.9 wt \%) demonstrated improved stability and H-2 selectivity, which are better than those of many state-of-the-art catalysts. Nitrogen in the carbon framework has a dual relationship with the activity of the catalyst: (i) it creates basic environment over the catalysts support and (ii) it acts as an anchoring site for metal nanoparticles. Anchoring of metal nanoparticles has helped to curb their sintering, thus leading to better stability of the catalysts under APR reaction conditions. Various characterization techniques were employed to understand the nature of active catalytic sites responsible for higher H-2 production while minimizing CO formation. In situ CO-FTIR studies showed that the higher catalytic activity of 5 wt \% Ru-NMC-3 catalyst was attributed to the enhanced WGS activity over this catalyst. Density functional theory calculations were performed to understand the stabilization of metal nanoparticles by different types of N present on the support and provide insights into the prefered sites of glycerol adsorption on the NMC support. Since S wt \% Ru-NMC-3 was the relatively best catalyst, it was selected for the preparation of bimetallic catalysts. Accordingly, addition of Pt to this system helped to increase the stability of the catalyst. This bimetallic catalyst may, therefore, find application for wide use in APR of biomass oxygenates.

}, keywords = {aqueous-phase reforming, Glycerol, H-2 production, Ru/NMC catalyst, synergistic effect}, issn = {2155-5435}, doi = {10.1021/acscatal.9b04063}, author = {Gogoi, Pranjal and Kanna, Narsimharao and Begum, Pakiza and Deka, Ramesh C. and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {46480, title = {Degradation of metaldehyde in aqueous solution by nano-sized photocatalysts and granular activated carbon}, journal = {Journal of Nanoscience and Nanotechnology }, volume = {20}, year = {2020}, month = {July }, pages = {4505-4508}, type = {Article}, abstract = {

Metaldehyde has been detected in drinking water system in relatively high concentration exceeding European water quality standard. In order to address this problem, the aim of this project was to treat metaldehyde aqueous solution by advanced oxidation processes (AOPs) and granular activated carbon (GAC) column. Ten novel materials were tested for degradation rates of metaldehyde under ultraviolet light irradiation (UVC). For treatment of 1 mg/L metaldehyde solution by AOPs, the highest degradation rate is 16.59\% under UVC light with the aid of nitrogen doped titanium dioxide coated graphene (NTiO2/Gr). Furthermore, 0.5 mg/L is the optimal concentration for degradation of metaldehyde with N-TiO2/Gr under UVC light. Apart from that, the lifetime of GAC column could be elongated on condition that metaldehyde has been treated by AOPs previously. Hence, combination of AOPs and GAC column is promising in treating water containing metaldehyde.

}, doi = {10.1166/jnn.2020.17595}, author = {Kim, Jong Kyu and Jiang, Tingting and Li, Zhoujun and Mayadevi, Suseeladevi and Bharat, Kale and Joo, Jin Chul and Campos, Luiza Cintra} } @article {46620, title = {Destroying antimicrobial resistant bacteria (AMR) and difficult, opportunistic pathogen using cavitation and natural oils/plant extract}, journal = {Ultrasonics Sonochemistry}, volume = {69}, year = {2020}, month = {DEC}, pages = {105272}, type = {Article}, abstract = {

The present study reports, for the first time, a new and techno-economic strategy for effective removal of antimicrobial resistant bacteria (AMR) and difficult, opportunistic pathogen using cavitation and natural oils/plant extract. A hybrid methodology using natural oils of known health benefits has been discussed in combination with conventional physico-chemical method of hydrodynamic cavitation that not only provides efficient and effective water disinfection, but also eliminates harmful effects of conventional methods such as formation of disinfection by-products apart from reducing cost of treatment. A proof-of concept is demonstrated by achieving exceptionally high rates for practically complete removal of antimicrobial resistant (AMR) and relatively less researched, gram-negative opportunistic pathogen, Pseudomonas aeruginosa and gram-positive methicillin resistant, Staphylococcus aureus using a natural oil-Peppermint oil and two different cavitating reactors employing vortex flow (vortex diode) and linear flow (orifice) for hydrodynamic cavitation. \> 99\% disinfection could be obtained, typically in less than 10 min, using vortex diode with operating pressure drop of 1 bar and low dose of 0.1\% peppermint oil as an additive, depicting very high rates of disinfection. The rate of disinfection can be further increased by using simple aeration which can result in significant lowering of oil dose. The conventional device, orifice requires relatively higher pressure drop of 2 bar and comparatively more time (similar to 20 min) for disinfection. The cost of the disinfection was also found to be significantly lower compared to most conventional processes indicating techno-economic feasibility in employing the developed hybrid method of disinfection for effectively eliminating bacteria including AMR bacteria from water. The developed approach not only highlights importance of going back to nature for not just conventional water disinfection, but also for eliminating hazardous AMR bacteria and may also find utility in many other applications for the removal of antimicrobial bacteria.

}, keywords = {AMR bacteria, Cavitation, Disinfection, Oil, Water treatment}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2020.105272}, author = {Mane, Maya B. and Bhandari, Vinay M. and Balapure, Kshama and Ranade, Vivek V.} } @article {46931, title = {DFT/NMR approach for the configuration assignment of groups of stereoisomers by the combination and comparison of experimental and predicted sets of data}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {MAR}, pages = {3297-3306}, type = {Article}, abstract = {

Quantum mechanical/nuclear magnetic resonance (NMR) approaches are widely used for the configuration assignment of organic compounds generally comparing one cluster of experimentally determined data (e.g., C-13 NMR chemical shifts) with those predicted for all possible theoretical stereoisomers. More than one set of experimental data, each related to a specific stereoisomer, may occur in some cases, and the accurate stereoassignments can be obtained by combining the experimental and computed data. We introduce here a straightforward methodology based on the simultaneous analysis, combination, and comparison of all sets of experimental/calculated C-13 chemical shifts for aiding the correct configuration assignment of groups of stereoisomers. The comparison of the differences between the calculated/experimental chemical shifts instead of the shifts themselves led to the advantage of avoiding errors arising from calibration procedures, reducing systematic errors, and highlighting the most diagnostic differences between calculated and experimental data. This methodology was applied on a tetrad of synthesized cladosporin stereoisomers (cladologs) and further corroborated on a tetrad of pochonicine stereoisomers, obtaining the correct correspondences between experimental and calculated sets of data. The new MAE(Delta Delta delta) parameter, useful for indicating the best fit between sets of experimental and calculated data, is here introduced for facilitating the stereochemical assignment of groups of stereoisomers.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b03129}, author = {Lauro, Gianluigi and Das, Pronay and Riccio, Raffaele and Reddy, D. Srinivasa and Bifulco, Giuseppe} } @article {46814, title = {Differential suitability of reactive oxygen species and the role of glutathione in regulating paradoxical behavior in gliomas: a mathematical perspective}, journal = {PloS One}, volume = {15}, year = {2020}, month = {JUN}, pages = {e0235204}, type = {Article}, abstract = {

Manipulative strategies of ROS in cancer are often exhibited as changes in the redox and thiol ratio of the cells. Cellular responses to oxidative insults are generated in response to these changes which are triggered due to the rerouting of the metabolic framework to maintain survival under stress. However, mechanisms of these metabolic re-routing are not clearly understood and remained debatable. In the present work, we have designed a context-based dynamic metabolic model to establish that the coordinated functioning of glutathione peroxidase (GTHP), glutathione oxidoreductase (GTHO) and NADPH oxidase (NOX) is crucial in determining cancerous transformation, specifically in gliomas. Further, we propose that the puzzling duality of ROS (represented by changes inh(2)o(2)in the present model) in exhibiting varying cellular fates can be determined by considering simultaneous changes innadph/nadp(+)andgsh/gssgthat occur during the reprogramming of metabolic reactions. This will be helpful in determining the pro-apoptotic or anti-apoptotic fate of gliomas and can be useful in designing effective pro-oxidant and/or anti-oxidant therapeutic approaches against gliomas.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0235204}, author = {Bhowmick, Rupa and Sarkar, Ram Rup} } @article {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 {46831, title = {Dual mode selective detection and differentiation of TNT from other nitroaromatic compounds}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {JUN }, pages = {10767-10771}, type = {Article}, abstract = {

Selective detection of explosives, especially TNT, is a highly desirable area of research and various explosives detection devices including fluorescent sensors are already in place. However, multi-mode sensors will be more useful and reliable than conventional fluorescent {\textquoteleft}{\textquoteleft}Turn Off{\textquoteright}{\textquoteright} sensors. One of the challenges is the development of selective sensors to prevent illegal transport of commonly used explosive TNT through on-the-spot analysis. In this context, we report a fluorescent polymer-based selective detection of TNT using both fluorometric and colorimetric signals. In addition, colorimetric differentiation of TNT from other nitroaromatic compounds is made possible by complexing with various amines. Even though many other sensors are available for TNT, the current demonstration is unique in terms of selectivity, sensitivity, reliability, portability, and rapidity of results. The as-developed explosive detection kit can be useful in both civilian and military operations to trace the illegal transport of TNT as well as for post-explosion analysis.

}, issn = {2050-7488}, doi = {10.1039/d0ta02091e}, author = {Patil, Goudappagouda and Dongre, Sangram D. and Das, Tamal and Babu, Sukumaran Santhosh} } @article {46842, title = {Effect of melatonin on tau aggregation and tau-mediated cell surface morphology}, journal = {International Journal of Biological Macromolecules}, volume = {152}, year = {2020}, month = {JUN }, pages = {30-39}, type = {Article}, abstract = {

Aggregation of Microtubule-associated protein Tau and its deposition in the form of neurofibrillary tangles (NFTs) is one of the pathological hallmarks of Alzheimer{\textquoteright}s disease (AD). Tau aggregation inhibition has been targeted in various studies including natural compounds and synthetic small molecules. Here, we have studied neurohormone- Melatonin against in vitro Tau aggregation and observed its effect on membrane topology, tubulin network and Tau phosphorylation in Neuro2A and N9 cell lines. The aggregation and conformation of Tau was determined by ThT fluorescence and CD spectroscopy respectively. The morphology of Tau aggregates in presence and absence of Melatonin was studied by transmission electron microscopy. Melatonin was found to reduce the formation of higher order oligomeric structures without affecting the overall aggregation kinetics of Tau. Melatonin also modulates and helps to maintain membrane morphology, independent on tubulin network as evidenced by FE-SEM and immunofluorescence analysis. Overall, Melatonin administration shows mild anti-aggregation and cytoprotective effects. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Alzheimer{\textquoteright}s disease, Cell surface morphology, melatonin, Paired helical filaments, tau protein, Tauopathies}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.01.296}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {46643, title = {Effect of substituent of roof shape amines on the molecular recognition of optically active acids by NMR spectroscopy}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {NOV}, pages = {13183-13190}, type = {Article}, abstract = {

Optically active roof shape derivatives of benzyl amines were synthesized and screened as chiral solvating agents for the study of molecular recognition of chiral compounds by NMR and UV spectroscopy. The effect of substituents on the aromatic ring of benzyl unit is investigated to assess the binding ability with the analyte and an experimental correlation is observed. Altering the substituents on the ring of benzyl amine and the acidic substrates, significantly influence the CSA interactions. The supramolecular interactions between acid and amine in the single crystal X-ray analysis of the diastereomeric salts provide further insight of the mode of molecular recognition.

}, keywords = {Chiral Solvating Agents, molecular recognition, NMR spectroscopy, Roof Shape Amine, UV spectroscopy}, issn = {2365-6549}, doi = {10.1002/slct.202003338}, author = {Gupta, Riddhi and Gonnade, Rajesh G. and Bedekar, Ashutosh V.} } @article {46768, title = {EGCG impedes human Tau aggregation and interacts with Tau}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12579}, type = {Article}, abstract = {

Tau aggregation and accumulation is a key event in the pathogenesis of Alzheimer{\textquoteright}s disease. Inhibition of Tau aggregation is therefore a potential therapeutic strategy to ameliorate the disease. Phytochemicals are being highlighted as potential aggregation inhibitors. Epigallocatechin-3-gallate (EGCG) is an active phytochemical of green tea that has shown its potency against various diseases including aggregation inhibition of repeat Tau. The potency of EGCG in altering the PHF assembly of full-length human Tau has not been fully explored. By various biophysical and biochemical analyses like ThS fluorescence assay, MALDI-TOF analysis and Isothermal Titration Calorimetry, we demonstrate dual effect of EGCG on aggregation inhibition and disassembly of full-length Tau and their binding affinity. The IC50 for Tau aggregation by EGCG was found to be 64.2 mu M.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-69429-6}, author = {Sonawane, Shweta Kishor and Chidambaram, Hariharakrishnan and Boral, Debjyoti and Gorantla, Nalini Vijay and Balmik, Abhishek Ankur and Dangi, Abha and Ramasamy, Sureshkumar and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46799, title = {Electrochemical performance of pre-lithiated ZnMoO4 and r-GO@ZnMoO4 composite anode for lithium-ion battery application}, journal = {Journal of the Taiwan Institute of Chemical Engineers}, volume = {112}, year = {2020}, month = {JUL}, pages = {60-66}, type = {Article}, abstract = {

Exploring a safer replacement of Li metal anode is crucial for technological, and fundamental importance. Li-metal is a preferred choice as anode material for lithium-ion battery (LIB) applications. However, parasitic dendritic growth on the Li metal surface during cycling causes instability and safety dreads. In the present study, we have investigated that the pre-lithiated ZnMoO4 is superior to its carbon-based counterparts (r-GO@ZnMoO4), moreover safer and sustainable than Li metal anode. The pre-lithiated ZnMoO4 delivers a better reversible capacity (similar to 1000 mAhg(-1) at 0.1 Ag-1), superior rate capability (similar to 400 mAh g(-1) at 2 Ag-1), and excellent cycling stability over 300 cycles at 0.1 Ag-1, as compared to bare ZnMoO4 and r-GO@ZnMoO4 composite. The present investigation is an attempt to provide a substitute for commonly used Li-metal/carbon anodes with better performance. (C) 2020 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Cycling stability, Electrochemistry, Li-ion battery, Nyquist plot, Rate performance, ZnMoO4 nanocomposites}, issn = {1876-1070}, doi = {10.1016/j.jtice.2020.07.009}, author = {Bin Masood, Khalid and Parte, Golu and Jain, Neha and Dwivedi, Pravin K. and Kumar, Pushpendra and Shelke, V, Manjusha and Patel, Rp and Singh, Jai} } @article {46900, title = {Electrospun fibers and sorbents as a possible basis for effective composite wound dressings}, journal = {Micromachines}, volume = {11}, year = {2020}, month = {APR}, pages = {441}, type = {Article}, abstract = {

Skin burns and ulcers are considered hard-to-heal wounds due to their high infection risk. For this reason, designing new options for wound dressings is a growing need. The objective of this work is to investigate the properties of poly (epsilon-caprolactone)/poly (vinyl-pyrrolidone) (PCL/PVP) microfibers produced via electrospinning along with sorbents loaded with Argovit (TM) silver nanoparticles (Ag-Si/Al2O3) as constituent components for composite wound dressings. The physicochemical properties of the fibers and sorbents were characterized using scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The mechanical properties of the fibers were also evaluated. The results of this work showed that the tested fibrous scaffolds have melting temperatures suitable for wound dressings design (58-60 degrees C). In addition, they demonstrated to be stable even after seven days in physiological solution, showing no macroscopic damage due to PVP release at the microscopic scale. Pelletized sorbents with the higher particle size demonstrated to have the best water uptake capabilities. Both, fibers and sorbents showed antimicrobial activity against Gram-negative bacteria Pseudomona aeruginosa and Escherichia coli, Gram-positive Staphylococcus aureus and the fungus Candida albicans. The best physicochemical properties were obtained with a scaffold produced with a PCL/PVP ratio of 85:15, this polymeric scaffold demonstrated the most antimicrobial activity without affecting the cell viability of human fibroblast. Pelletized Ag/Si-Al2O3-3 sorbent possessed the best water uptake capability and the higher antimicrobial activity, over time between all the sorbents tested. The combination of PCL/PVP 85:15 microfibers with the chosen Ag/Si-Al2O3-3 sorbent will be used in the following work for creation of wound dressings possessing exudate retention, biocompatibility and antimicrobial activity.

}, keywords = {electrospinning, poly (epsilon-caprolactone), poly (vinyl pyrrolidone), silver sorbents, wound dressings}, doi = {10.3390/mi11040441}, author = {Saul Alvarez-Suarez, Alan and Dastager, Syed G. and Bogdanchikova, Nina and Grande, Daniel and Pestryakov, Alexey and Carlos Garcia-Ramos, Juan and Lizeth Perez-Gonzalez, Graciela and Juarez-Moreno, Karla and Toledano-Magana, Yanis and Smolentseva, Elena and Antonio Paz-Gonzalez, Juan and Popova, Tatiana and Rachkovskaya, Lyubov and Nimaev, Vadim and Kotlyarova, Anastasia and Korolev, Maksim and Letyagin, Andrey and Jesus Villarreal-Gomez, Luis} } @article {46817, title = {Electrospun poly(3-hydroxybutyrate-co-3-hydroxyvalerate)/polyethylene oxide (PEO) microfibers reinforced with ZnO nanocrystals for antibacterial and antibiofilm wound dressing applications}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {JUN}, pages = {9754-9766}, type = {Article}, abstract = {

Biocompatible and biodegradable polymers are extensively used in designing wound dressing materials. The present investigation deals with the preparation of a unique blend of zinc oxide (ZnO) nanoparticles incorporated in poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV)/polyethylene oxide (PEO) microfibersviaan electrospinning technique for antibacterial, antibiofilm and wound dressing applications. This composite was prepared by incorporating previously synthesized ZnO NPs with better antibacterial and antibiofilm activity in PHBV-PEO (4 : 1) polymers in chloroform solution. Scanning electron microscopy (SEM) and Fourier transform infrared (FT-IR) spectroscopy confirmed that ZnO NPs were incorporated in the PHBV-PEO microfibers. The synthesized microfibers exhibited enhanced mechanical properties after the incorporation of ZnO NPs. The results of antibacterial and antibiofilm activity of the prepared microfibers revealed that the incorporated ZnO NPs in different concentrations (1\%, 3\%, and 5\%) showed different degrees of antibacterial activity against pathogenic Gram-positiveStaphylococcus aureus(NCIM 2654) and Gram-negativePseudomonas aeruginosa(NCIM 5032), which are the main bacteria found in wound infections. The PHBV-PEO-ZnO microfibers exhibited excellent hemocompatibility with improved swelling behavior after the incorporation of ZnO NPs.In vitrocytotoxicity assays revealed the non-toxic nature of the prepared PHBV-PEO-ZnO microfibers. The current work confirms that utilizing a unique blend of the biodegradable, biocompatible, thermoplastic and hydrophobic natural polymer PHBV with hydrophobic, biodegradable, non-toxic and synthetic polymer PEO with ZnO NPs holds great potential for use as an antibacterial and antibiofilm material for wound dressing applications.

}, issn = {1144-0546}, doi = {10.1039/d0nj01384f}, author = {Mahamuni-Badiger, Pranjali P. and Patil, Pooja M. and Patel, Pratikshkumar R. and Dhanavade, Maruti J. and Badiger, V. Manohar and Marathe, Yogesh N. and Bohara, Raghvendra A.} } @article {46861, title = {Electrostatic manifestation of micro-heterogeneous solvation structures in deep-eutectic solvents: a spectroscopic approach}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {MAY }, pages = {3709-3715}, type = {Article}, abstract = {

Deep eutectic solvents have emerged as inexpensive green alternatives to conventional solvents for diverse applications in chemistry and biology. Despite their importance as useful media in various applications, little is known about the microscopic solvation structures of deep eutectic solvents around solutes. Herein, we show that the electrostatic field, which can be estimated both from infrared experiments and theory, can act as a unified concept to report on the microscopic heterogeneous solvation of deep eutectic solvents. Using a fluorophore containing the carbonyl moiety as the solute and the electrostatic field as a descriptor of the solvation structure of the deep eutectic solvents, we report the residue-specific distribution, orientation, and hydrogen bonding in deep eutectic solvents constituting of choline chloride and alcohols of varying chain-lengths. We observe that an increase in alcohol chain-length not only affects the alcohol{\textquoteright}s propensity to form hydrogen bond to the solute but also alters the spatial arrangement of choline cations around the solute, thereby leading to a microheterogeneity in the solvation structure. Moreover, to extend our electrostatic field based strategy to other deep eutectic solvents, we report an emission spectroscopy based method. We show that this method can be applied, in general, to all deep eutectic solvents, irrespective of their constituents. Overall, this work integrates experiments with molecular dynamics simulations to provide insights into the heterogeneous DES solvation.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b11352}, author = {Chatterjee, Srijan and Haldar, Tapas and Ghosh, Deborin and Bagchi, Sayan} } @article {46747, title = {Elucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass}, journal = {Journal of Alloys and Compounds}, volume = {831}, year = {2020}, month = {AUG }, pages = {154704}, type = {Article}, abstract = {

The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol\%) given by (53.86) SiO2\ {\textendash} (22.65) Na2O {\textendash} (21.77-x) CaO {\textendash} (1.72) P2O5\ {\textendash} x CaF2, where, x\ =\ 0, 5.44, 10.885 and 16.33. The role of the incorporated fluoride and its distribution within the glass were interpreted and analyzed using Molecular dynamics (MD) simulations and the results were compared with the modified random network (MRN) model. The interpretations from the model have been verified using the MAS-NMR spectroscopy technique. According to this model, fluoride containing bioactive glasses have been proposed to consist of silicate rich network regions and modifier cation {\textendash} fluoride rich inter-network regions. The interface region was found to consist of non-bridging oxygen species (NBO) and phosphate cations which are either isolated orthophosphates (Q0P) or bridged with silicates in the form of pyrophosphate (Q1P) units forming Si{\textendash}O{\textendash}P bonds. The gradual substitution of CaF2\ for CaO in the base glass resulted in an increase in the silicate network connectivity with a reduction in the NBOs and lead to an increase in the association of modifier cations with fluoride ions. However, fluoride ions were found to show a marginal preference to associate with Na+\ cations leading to a decrease in the association of Na+\ ions with orthophosphate and silicate units. These overall structural findings were correlated with the\ in\ vitro\ ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their\ in\ vitro\ cell viability towards mouse osteoblast type (MC3T3) cells in which fluoride containing bioactive glasses did not show any toxicity and exhibited better cell proliferation. The antibacterial efficacy of the fluoride containing glasses was tested at various concentrations (5, 10 and 20\ mg/ml) in\ E.coli\ bacterial inoculum in which bactericidal action was evidenced.

}, keywords = {Fluoride bioactive glasses, In~vitro apatite formation and bactericidal action, MAS-NMR spectroscopy, MD simulations}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.154704}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {46633, title = {Enantioselective synthesis of gamma-phenyl-gamma-amino vinyl phosphonates and sulfones and their application to the synthesis of novel highly potent antimalarials}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {NOV }, pages = {29025-29037}, type = {Article}, abstract = {

Racemic and enantioselective syntheses of gamma-phenyl-gamma-amino vinyl phosphonates and sulfones have been achieved using Horner-Wadsworth-Emmons olefination of trityl protected alpha-phenyl-alpha-amino aldehydes with tetraethyl methylenediphosphonate and diethyl ((phenylsulfonyl)methyl)phosphonate, respectively, without any racemization. The present strategy has also been successfully applied to the synthesis of peptidyl vinyl phosphonate and peptidyl vinyl sulfone derivatives as potential cysteine protease inhibitors of Chagas disease, K11002, with 100\% de. The developed synthetic protocol was further utilized to synthesize hybrid molecules consisting of artemisinin as an inhibitor of major cysteine protease falcipain-2 present in the food vacuole of the malarial parasite. The synthesized artemisinin-dipeptidyl vinyl sulfone hybrid compounds showed effective in vitro inhibition of falcipain-2 and potent parasiticidal efficacies against Plasmodium falciparum in nanomolar ranges. Overall, the developed synthetic protocol could be effectively utilized to design cysteine protease inhibitors not only as novel antimalarial compounds but also to be involved in other life-threatening diseases.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03470}, author = {Aratikatla, Eswar K. and Kalamuddin, Md and Malhotra, Pawan and Mohmmed, Asif and Bhattacharya, Asish K.} } @article {46782, title = {Enantioselective synthesis of tricyclic beta-lactones by NHC-catalyzed desymmetrization of cyclic 1,3-diketones}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUL}, pages = {5407-5411}, type = {Article}, abstract = {

The NHC-catalyzed desymmetrization of cyclic-1,3-diketones allowing the enantioselective construction of tricyclic beta-lactones with five contiguous stereocenters, including two quaternary stereocenters, has been developed. The mild and operationally simple addition of a-bromoenals to cyclopentane-1,3-diketone derivatives proceeds via the initial formation of chiral alpha,beta-unsaturated acylazolium intermediates and culminates in a cascade reaction, following the Michael-aldol-Iactonization pathway to deliver the beta-lactone derivatives in moderate to good yields and excellent selectivity.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01756}, author = {Shee, Sayan and Mukherjee, Subrata and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {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 {46919, title = {Enteric pH responsive cargo release from PDA and PEG coated mesoporous silica nanoparticles: a comparative study in Drosophila melanogaster}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {MAR }, pages = {11716-11726}, type = {Article}, abstract = {

Physiological stimulus-specific cargo release from nanoparticle carriers is a holy grail of drug delivery research. While the majority of such work is carried out in vitro with cell lines, widespread use of common mammalian model systems - mice and rats - is difficult due to the associated cost and regulatory restrictions. Here we use the inexpensive, easily reared, excellent genetic model system Drosophila melanogaster to test pH responsive cargo release from widely used mesoporous silica nanoparticles (MSNs) coated with pH sensitive polydopamine (PDA) and polyethylene glycol (PEG) polymers. We synthesized 650 +/- 75 nm diameter PDA or PEG coated mesoporous silica nanoparticles loaded with a fluorescent dye and fed to individual adult flies. Subsequently, the passage of the particles were monitored through the fly gut. As in mammals, the fly intestine has multiple pH specific zones that are easily accessible for imaging and also genetic, biochemical or physiological manipulations. We observed that both the species of MSNs ruptured around the acidic (pH \< 4.0) middle midgut of the flies. PEG coated particles showed sharper specificity of release in the acidic middle midgut of flies than the PDA coated ones and had less tendency to clump together. Our results clearly show that the Drosophila gut can be used as a model to test pH responsive biocompatible materials in vivo. Our work paves the way for greater use of Drosophila as an in vivo complete systemic model in drug delivery and smart materials research. It also suggests that such specific delivery of chemical/biological cargo can be exploited to study basic biology of the gut cells and their communication with other organs.

}, doi = {10.1039/c9ra11019d}, author = {Sapre, Nidhi and Chakraborty, Rusha and Purohit, Poorvi and Bhat, Suresh and Das, Gaurav and Bajpe, Sneha R.} } @article {46989, title = {Enzymatic and non-enzymatic detoxification of reactive carbonyl compounds improves the oxidative stress tolerance in cucumber, tobacco and rice seedlings}, journal = {Journal of Plant Growth Regulation}, volume = {39}, year = {2020}, month = {SEP}, pages = {1359-1372}, type = {Article}, abstract = {

Detoxification of reactive carbonyl compounds (RCC) is crucial to sustain cellular activity to improve plant growth and development. Seedling growth is highly affected by accumulation of RCC under stress. We report non-enzymatic, enzymatic mechanisms of detoxification of RCC in the cucumber, tobacco and rice seedling systems exposed to glucose, NaCl, methyl viologen (MV) induced oxidative stress. The cucumber seedlings exposed to carbonyl stress had higher levels of malondialdehyde (MDA), protein carbonyls (PCs) and advanced glycation end-product N-carboxymethyl-lysine (AGE-CML) that negatively affected the seedling growth. The overexpression of enzyme encoding aldo-keto reductase-1 (AKR1) in tobacco and rice showed detoxification of RCC, MDA and methylglyoxal (MG) with improved seedling growth under glucose, NaCl and MV-induced oxidative stress. Further, small molecules like acetylsalicylic acid (ASA), aminoguanidine (AG), carnosine (Car), curcumin (Cur) and pyridoxamine (PM) showed detoxification of RCC non-enzymatically and rescued the cucumber seedling growth from glucose, NaCl and MV-stress. In autotrophically grown rice seedlings these molecules substantially improved seedling growth under MV-induced oxidative stress. Seedlings treated with the small molecules sustained higher guaiacol peroxidase (GPX) enzyme activity signifying the role of small molecules in reducing carbonyl stress-induced protein inactivation and AGE-CML protein modifications. The results showed that besides enzymatic detoxification of RCC, the small molecules also could reduce cytotoxic effect of RCC under stress. The study demonstrates that small molecules are attractive compounds to improve the seedling growth under stress conditions.

}, keywords = {Oxidative stress, plant growth, Reactive carbonyl scavengers, Seed germination, small molecules}, issn = {0721-7595}, doi = {10.1007/s00344-020-10072-w, Early Access Date = JAN 2020}, author = {Nareshkumar, Ambekar and Subbarao, Sindhu and Vennapusa, Amarnatha Reddy and Ashwin, Vargheese and Banarjee, Reema and Kulkarni, Mahesh J. and Ramu, Vemanna S. and Udayakumar, Makarla} } @article {46654, title = {EviMass: a literature evidence-based miner for human microbial associations (vol 10, 849, 2019)}, journal = {Frontiers in Genetics}, volume = {11}, year = {2020}, month = {NOV }, pages = {614051}, type = {Correction}, keywords = {Human Disease, literature mining, microbial association, Microbiome, Web server}, doi = {10.3389/fgene.2020.614051}, author = {Srivastava, Divyanshu and Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46657, title = {Experimental analysis of vapour-liquid phase equilibria for binary systems of diethyl carbonate with methyl, ethyl, isopropyl, n-butyl and isoamyl acetates at 95 kPa}, journal = {Journal of Chemical Thermodynamics}, volume = {150}, year = {2020}, month = {NOV}, pages = {106189}, type = {Article}, abstract = {

Experimental analysis of vapour-liquid phase equilibrium (VLE) for five binary pairs of diethyl carbonate (DEC) with methyl acetate, ethyl acetate, isopropyl acetate, n-butyl acetate and isoamyl acetate was carried out in this study. VLE data were generated experimentally at local atmospheric pressure of 95 kPa in a glass dynamic recirculation still. Reliability of data was checked with the thermodynamic consistency tests by Van Ness, infinite dilution, pure component and mean absolute deviation test. Experimental data was found to be thermodynamically consistent with all tests and data was regressed with Wilson, NRTL and UNIQUAC activity coefficient models to determine binary interaction parameters. Binary pair of DEC with n-butyl acetate has shown azeotropic behaviour with minimum boiling azeotrope and a close boiling behaviour through-out the composition range. No azeotropic behaviour was observed for the rest of the binary pairs. (c) 2020 Elsevier Ltd.

}, keywords = {Diethyl carbonate, ethyl acetate, Isobaric, Isopropyl acetate, methyl acetate, VLE}, issn = {0021-9614}, doi = {10.1016/j.jct.2020.106189}, author = {Bhoi, Bharat R. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46870, title = {Exploring magnetic XY behavior in a quasi-2D anisotropic triangular lattice of Cu(II) by functionalized graphene}, journal = {Inorganic Chemistry}, volume = {59}, year = {2020}, month = {MAY }, pages = {6214-6219}, type = {Article}, abstract = {

Study on magnetism in two-dimensional (2D) spin-lattices is advancing rapidly. In this work, phase-pure botallackite (Bo) (Cu-2(OH)(3)Br), a quasi-2D S = 1/2 anisotropic triangular spin-lattice is stabilized over 2D reduced graphene oxide (rGO) nanosheets via simple oxidation-reduction reaction chemistry. In comparison to polycrystalline Bo, such an anchoring resulted in the oriented growth of Bo crystallites in the Bo-rGO system. The Bo-rGO nanocomposite was found to be magnetically active with a Neel transition at 8.9 K, crossing over to possible XY anisotropy at similar to 5 K-as revealed by complementary dc and ac susceptibility measurements-an unprecedented observation in the field assigned to an interfacial effect. This work demonstrates the potential usage of nonmagnetic 2D functionalized graphene to significantly modulate the magnetic properties of 2D spin-lattices.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c00315}, author = {Gupta, Kriti and Dadwal, Arun and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46940, title = {FeNx/FeSx-anchored carbon sheet-carbon nanotube composite electrocatalysts for oxygen reduction}, journal = {ACS Applied Nano Materials}, volume = {3}, year = {2020}, month = {MAR}, pages = {2234-2245}, type = {Article}, abstract = {

Even though various Pt-free electrocatalysts for oxygen reduction reaction (ORR) have been introduced, many of them are found to be active only in alkaline conditions. Considering Nafion, phosphoric acid-doped polybenzimidazole (PBI), and so on as the prominent ionomer membranes, used in the commercially available polymer electrolyte membrane fuel cells (PEMFCs), it becomes important that any development on the Pt-free catalysts should ensure the better ORR performance under acidic conditions. The present work effectively tackles this issue, where an ORR-based catalyst could be prepared with simultaneous incorporation of both Fe-N and Fe-S active sites on in situ generated carbon sheets which are spatially separated by the carbon nanotube (CNT) network. This catalyst shows ability to perform under both acidic and basic conditions. This has been achieved by growing a polyethylenedioxythiophene polymer network in the presence of CNT and melamine followed by its pyrolysis under an inert atmosphere. The catalyst formed at 900 degrees C (PMCNT-900) displays 0.94 V onset potential for ORR under acidic electrolyte conditions, which corresponds to 60 mV overpotential compared to its 40 wt \% Pt/C counterpart. Interestingly, in single cell demonstration of Nafion-based PEMFC with PMCNT-900 as the cathode catalyst, the system delivered a maximum power density (PD) of 500 and 275 mW/cm(2) at 60 degrees C under H-2-O-2 and H-2-air feed conditions, respectively. On the other hand, in a single cell test in the anion exchange membrane fuel cell (AEMFC) mode, a maximum power density of 65 mW/cm(2) at 50 degrees C could be achieved with the same cathode catalyst, which is a comparable value obtained while employing Pt/C as the cathode. These results, thus, infer to the efficiency of the catalyst to facilitate ORR under the extreme pH conditions, and particularly its performance under acidic condition reveals its prospect as a potential Pt-free electrocatalyst to serve in the Nafion-based systems.

}, keywords = {carbon nanotube, electrocatalyst, fuel cell, oxygen reduction reaction, Pt-free ORR}, issn = {2574-0970}, doi = {10.1021/acsanm.9b02335}, author = {Bhange, Siddheshwar N. and Soni, Roby and Singla, Gourav and Ajithkumar, T. G. and Kurungot, Sreekumar} } @article {46883, title = {Flexible energy storage device based on poly(N-phenylglycine), an incentive-energy pseudocapacitive conducting polymer, and electrochemically exfoliated graphite sheets}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {APR}, pages = {6433-6441}, type = {Article}, abstract = {

Poly(N-phenylglycine) (PNPG), an original pseudocapacitive conjugative conducting polymer (CP), was synthesized by the electro-oxidative polymerization method. The synthesis process involves in situ polymerization and electro-deposition of N-phenylglycine onto the surface of highly conductive, few-layered, exfoliated flexible graphite sheets (EFGSs). At first, the promising features of the conjugative structure of the as-prepared protonated PNPG were thoroughly investigated by UV-vis absorption spectrophotometry, micro-Raman spectroscopy, and X-ray photoelectron spectroscopy analysis. The protonated nitrogen groups facilitate the rapid accessibility of counter ions from the electrolyte. Electrochemical studies revealed that the PNPG/E-FGS electrode exhibits an extraordinary areal specific capacitance of 367 mF cm(-2) at 10 mV s(-1). A flexible solid-state symmetrical supercapacitor was further fabricated using PNPG/E-FGS electrodes, exhibiting a specific capacitance as high as 199 mF cm(-2) at 1 mA cm(-2) with an operating voltage of 1.1 V. Furthermore, the device delivered an excellent specific energy of 8.36 mu W h cm(-2) at a power density of 1.65 mW cm(-2) in a working potential window of 1.1 V. More significantly, the energy density was nearly doubled to 16.1 mu W h cm(-2) upon extending the potential window from 1.1 to 1.5 V. The extremely redox-active CP electrode is highly suitable for applications in high-energy electrochemical capacitors with wide operating potential window.

}, keywords = {conducting polymer, electro-polymerization, exfoliated graphite, flexible supercapacitor, poly(N-phenylglycine)}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c00880}, author = {Muniraj, Vedi Kuyil Azhagan and Boukherroub, Rabah and Shelke, Manjusha Vilas} } @article {46663, title = {Flim-MAP: gene context based identification of functional modules in bacterial metabolic pathways (vol 9, 2183, 2018)}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2020}, month = {OCT}, pages = {605419}, type = {Correction}, keywords = {annotation, Bacteria, functional potential, gene context, genome, metabolic pathway}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.605419}, author = {Bhatt, Vineet and Mohapatra, Anwesha and Anand, Swadha and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46785, title = {Functional stability and structural transitions of a kunitz trypsin inhibitor from chickpea (CaTI2)}, journal = {Protein Journal}, volume = {39}, year = {2020}, month = {AUG}, pages = {350-357}, type = {Article}, abstract = {

Enzymes are important tools for various applications. We have studied structural transitions and functional stability of a Kunitz trypsin inhibitor from Chickpea (CaTI2), a potent insect gut-protease inhibitor, under different stress conditions like non-neutral pH, elevated temperature and co-solvent concentrations. CaTI2 was cloned and expressed in an eukaryotic systemP. pastorisand was investigated for conformational transitions using circular dichroism spectroscopy, differential scanning fluorimetry and activity assay. Native CaTI2 has a sheet dominant structure with 40\% beta sheets and possess a single tryptophan residue situated in the hydrophobic core of the enzyme. The recombinant inhibitor maintained its maximum activity under alkaline pH with its secondary structure intact between pH 6-10. CaTI2 was observed to be thermally stable up to 55 degrees C with aT(m) of 61.3 degrees C above which the protein unfolds. On treating with chemical denaturant (urea), the CaTI2 lost its inhibitory potential and native conformation beyond 2 M urea concentration. Moreover, the protein unfolded at lower temperatures as the concentration of denaturant increased, suggesting more complex structural changes. Further, the stability of the inhibitor was found to be directly proportional to the solvent polarity. The data, herein offers significant information of inhibitor stability and activity which could be exploited for its further development into an effective pesticide. [GRAPHICS] .

}, keywords = {Chickpea, Circular dichroism spectroscopy, Differential scanning fluorimetry, Functional stability, Kunitz trypsin inhibitor}, issn = {1572-3887}, doi = {10.1007/s10930-020-09911-2, Early Access Date = JUL 2020}, author = {Bendre, Ameya D. and Shukla, Ekta and Ramasamy, Sureshkumar} } @article {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 {46890, title = {FunGeCo: a web-based tool for estimation of functional potential of bacterial genomes and microbiomes using gene context information}, volume = {36}, year = {2020}, month = {APR }, pages = {2575-2577}, type = {Article}, abstract = {

Motivation: Functional potential of genomes and metagenomes which are inferred using homology-based methods are often subjected to certain limitations, especially for proteins with homologs which function in multiple pathways. Augmenting the homology information with genomic location of the constituent genes can significantly improve the accuracy of estimated functions. This can help in distinguishing cognate homolog belonging to a candidate pathway from its other homologs functional in different pathways. Results: In this article, we present a web-based analysis platform {\textquoteleft}FunGeCo{\textquoteright} to enable gene-context-based functional inference for microbial genomes and metagenomes. It is expected to be a valuable resource and complement the existing tools for understanding the functional potential of microbes which reside in an environment.

}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btz957}, author = {Anand, Swadha and Kuntal, Bhusan K. and Mohapatra, Anwesha and Bhatt, Vineet and Mande, Sharmila S.} } @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 {46934, title = {Gold and hypervalent iodine(iii): liaisons over a decade for electrophilic functional group transfer reactions}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {MAR }, pages = {2677-2690}, type = {Article}, abstract = {

Over the last two decades, hypervalent iodine(iii) reagents have evolved from being {\textquoteleft}bonding curiosities{\textquoteright} to mainstream reagents in organic synthesis, in particular, electrophilic functional group transfer reactions. In this context, gold catalysts have not only emerged as a unique toolbox to facilitate such reactions (especially alkynylations) but also opened new possibilities with their different modes of reactivities for other functional group transfer reactions (acetoxylations and arylations). This feature article critically summarizes hitherto all such Au-catalyzed electrophilic functional group transfer reactions with hypervalent iodine(iii) reagents, emphasizing their mechanistic aspects.

}, issn = {1359-7345}, doi = {10.1039/d0cc00106f}, author = {Banerjee, Somsuvra and Bhoyare, Vivek W. and Patil, Nitin T.} } @article {46819, title = {Gold-catalyzed alkynylative meyer-schuster rearrangement}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUN}, pages = {4792-4796}, type = {Article}, abstract = {

By applying the {\textquoteleft}{\textquoteleft}interplay{\textquoteright}{\textquoteright} mode, which consolidates two key reactivity modes of gold catalysis, namely pi-activation mode and cross-coupling mode, the first alkynylative Meyer-Schuster rearrangement is designed and successfully implemented. The current protocol gives straightforward access to enynones, a highly valuable building block, from easily available propargyl alcohol feedstocks. Control experiments suggest an Au(III) catalyst triggers the Meyer-Schuster rearrangement, whereas monitoring the reaction with ESI-HRMS provided strong evidence in favor of a key alkynylgold(III) intermediate which supports the proposed {\textquoteleft}{\textquoteleft}interplay{\textquoteright}{\textquoteright} scenario.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01596}, author = {Banerjee, Somsuvra and Ambegave, Shivhar B. and Mule, Ravindra D. and Senthilkumar, Beeran and Patil, Nitin T.} } @article {46604, title = {Green catalyst Fe(OTs)(3)/SiO2 for the synthesis of 4-Pyrrolo-12-oxoquinazolines}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {DEC}, pages = {14721-14728}, type = {Article}, abstract = {

An efficient and eco-friendly diversity-oriented synthetic protocol has been presented to synthesize structurally versatile drug-like molecules under solvent-free grinding in the presence of Fe(OTs)(3)/SiO2 as a catalyst. The use of Fe(OTs)(3)/SiO2 as a recyclable and reusable catalyst has been explored in the synthetic domino protocol involving one-pot, three component reaction for the synthesis of 4-pyrrolo-12-oxoquinazolines with special features of the protocol like high atom-economy, operational simplicity, short reaction time and high selectivity with excellent yields.

}, keywords = {4-Pyrrolo-12-oxoquinazolines, Fe(OTs)(3), Green methodology, Liquid Assisted Grinding (LAG), SiO2 catalyst, Solvent-free grinding}, issn = {2365-6549}, doi = {10.1002/slct.202004012}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Krishna, Gamidi Rama} } @article {46605, title = {HDAC6 ZnF UBP as the modifier of tau structure and function}, journal = {Biochemistry}, volume = {59}, year = {2020}, month = {DEC }, pages = {4546-4562}, type = {Article}, abstract = {

Histone deacetylase 6 is a class H histone deacetylase primarily present in the cytoplasm and involved in the regulation of various cellular functions. It consists of two catalytic deacetylase domains and a unique zinc finger ubiquitin binding protein domain, which sets it apart from other HDACs. HDAC6 is known to regulate cellular activities by modifying the function of microtubules, HSP90, and cortactin through deacetylation. Apart from the catalytic activity of HDAC6, it interacts with other proteins through either the SE14 domain or the ZnF UBP domain to modulate their functions. Here, we have studied the role of the HDAC6 ZnF UBP domain as a modifier of Tau aggregation by its direct interaction with the polyproline region/repeat region of Tau. Interaction of HDAC6 ZnF UBP with Tau was found to reduce the propensity of Tau to self-aggregate and to disaggregate preformed aggregates in a concentration-dependent manner and also bring about the conformational changes in Tau protein. The interaction of HDAC6 ZnF UBP with Tau results in its degradation, suggesting either proteolytic activity of HDAC6 ZnF UBP or its role in enhancing autoproteolysis of Tau.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.0c00585}, author = {Balmik, Abhishek Ankur and Chidambaram, Hariharakrishnan and Dangi, Abha and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @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 {46845, title = {Hierarchical nanoflower arrays of Co9S8-Ni3S2 on nickel foam: a highly efficient binder-free electrocatalyst for overall water splitting}, journal = {Chemistry-A European Journal}, volume = {26}, year = {2020}, month = {JUN }, pages = {7900-7911}, type = {Article}, abstract = {

Hydrogen production is vital for meeting future energy demands and managing environmental sustainability. Electrolysis of water is considered as the suitable method for H-2 generation in a carbon-free pathway. Herein, the synthesis of highly efficient Co9S8-Ni3S2 based hierarchical nanoflower arrays on nickel foam (NF) is explored through the one-pot hydrothermal method (Co9S8-Ni3S2/NF) for overall water splitting applications. The nanoflower arrays are self-supported on the NF without any binder, possessing the required porosity and structural characteristics. The obtained Co9S8-Ni3S2/NF displays high hydrogen evolution reaction (HER), as well as oxygen evolution reaction (OER), activities in 1 m KOH solution. The overpotentials exhibited by this system at 25 mA cm(-2) are nearly 277 and 102 mV for HER and OER, respectively, in 1 m KOH solution. Subsequently, the overall water splitting was performed in 1 m KOH solution by employing Co9S8-Ni3S2/NF as both the anode and cathode, where the system required only 1.49, 1.60, and 1.69 V to deliver the current densities of 10, 25, and 50 mA cm(-2), respectively. Comparison of the activity of Co9S8-Ni3S2/NF with the state-of-the-art Pt/C and RuO2 coated on NF displays an enhanced performance for Co9S8-Ni3S2/NF both in the half-cell as well as in the full cell, emphasizing the significance of the present work. The post analysis of the material after water electrolysis confirms that the surface Co(OH)(2) formed during the course of the reaction serves as the favorable active sites. Overall, the activity modulation achieved in the present case is attributed to the presence of the open-pore morphology of the as formed nanoflowers of Co9S8-Ni3S2 on NF and the simultaneous presence of the surface Co(OH)(2) along with the highly conducting Co9S8-Ni3S2 core, which facilitates the adsorption of the reactants and subsequently its conversion into the gaseous products during water electrolysis.

}, keywords = {cobalt sulfide, electrocatalysts, Hydrogen evolution, overall water splitting, oxygen evolution}, issn = {0947-6539}, doi = {10.1002/chem.202000839, Early Access Date = MAY 2020}, author = {Illathvalappil, Rajith and Walko, Priyanka S. and Kanheerampockil, Fayis and Bhat, Suresh K. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {47150, title = {Highly active Br{\o}nsted acidic silicon phosphate catalyst for direct conversion of glucose to levulinic acid in MIBK{\textendash}water biphasic system}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {JAN}, pages = {Article number: 51}, type = {Article}, abstract = {

Due to depletion of fossil fuel reserves and environmental concerns demand the utilization of other renewable feedstocks such as biomass which is available abundantly in different quantities throughout the world. Catalytic transformation of this biomass or biomass-derived products such as glucose to valuable platform biochemicals viz: levulinic acid (LA) is academically as well as industrially important reaction. In the present work, Silicon phosphates (SixPO4) catalysts viz: Si10PO4, Si20PO4, Si30PO4, and Si40PO4 having solely Br{\o}nsted acidic properties were prepared by wet impregnation of H3PO4 (10{\textendash}40\ wt\%) on fumed silica followed by calcination at 550\ {\textdegree}C for 10\ h. The prepared catalysts were characterized by various techniques such as XRD; NH3-TPD; FTIR etc. Formation of silicon phosphate structure was found to depend on \% of P loading and its interaction with silica. The acidic property of SixPO4 catalyst was characterized by NH3-TPD and Pyridine-IR, confirmed that catalyst has exclusively strong Br{\o}nsted acidity. A high LA yield of 81\ mol\% over Si30PO4 has achieved at an optimized reaction condition of 140\ {\textdegree}C; 10\ h in MIBK{\textendash}water (9:1) biphasic system.

}, doi = {10.1007/s42452-019-1827-z}, author = {Bokade, Vijay and Moondra, Hitakshi and Niphadkar, Prashant} } @article {46896, title = {Highly dispersed MnOx nanoparticles on shape-controlled SiO2 spheres for ecofriendly selective allylic oxidation of cyclohexene}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {OCT}, pages = {3023-3035}, type = {Article}, abstract = {

Shape-controlled metal nanomaterials are considered as a unique class of catalysts because of their synergistic size- and shape-dependent catalytic properties. This work reports the synthesis of a novel size- and shape-controlled catalyst, consisting of highly dispersed MnOx nanoparticles (average particle size of 4.5 nm) on shape-controlled SiO2 nanospheres (250-300 nm) for selective cyclohexene oxidation using air as the oxidant under solvent- and base-free conditions. The MnOx/SiO2 catalyst exhibited an excellent cyclohexene conversion (92\%) with a high selectivity (96\%) to the allylic products (2-cyclohexene-ol and 2-cyclohexene-one) under mild conditions, outperforming various SiO2 supported CoOx, FeOx, and CuOx catalysts. The better performance of shape-controlled MnOx/SiO2 nanocatalyst is due to high redox nature of Mn, uniform dispersion of smaller sized MnOx nanoparticles, and synergetic interaction between MnOx and SiO2 spheres, as evidenced by XPS and TEM studies. Further, the MnOx/SiO2 catalyst could be reused at least 5 times for selective cyclohexene oxidation with a negligible loss in its catalytic performance, indicating the excellent stability of shape-controlled metal nanocatalysts in organic synthesis under economically viable and mild conditions.

}, keywords = {Cyclohexene oxidation, MnOx nanoparticles, Shape-controlled catalyst, SiO2 nanospheres, Structure-performance relationship, Synergetic interaction}, issn = {1011-372X}, doi = {10.1007/s10562-020-03205-z, Early Access Date = APR 2020}, author = {Rao, Bolla Govinda and Sudarsanam, Putla and Rao, Tumula Venkateshwar and Amin, Mohamad Hassan and Bhargava, Suresh K. and Reddy, Benjaram M.} } @article {46676, title = {Highly efficient micro-meso acidic H-USY catalyst for one step conversion of wheat straw to ethyl levulinate (biofuel additive)}, journal = {Microporous and Mesoporous Materials}, volume = {306}, year = {2020}, month = {OCT}, pages = {110474}, type = {Article}, abstract = {

Ethyl Levulinate (EL), biofuel additive can blend up to 20\% with biodiesel to improve its fuel properties. Till the date, there are reports on homogeneous catalysts (H2SO4, ionic liquid) for synthesis of EL from raw biomass like wheat straw. To best of our knowledge, there is no single report on heterogeneous catalyst for one step synthesis of EL directly from wheat straw. This work is a successful attempt to use heterogeneous micro-meso acidic H-USY (post dealumination and desilication) for direct one step conversion of wheat straw to EL with higher EL yield 24.5 wt\%, which is probably the highest so far.

}, keywords = {Acidity, ethyl levulinate, H-USY, Micro-meso, Wheat straw}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2020.110474}, author = {Heda, Jidnyasa and Niphadkar, Prashant and Mudliar, Sandeep and Bokade, Vijay} } @article {46995, title = {Highly enantioselective synthesis of sitagliptin}, journal = {Asian Journal of Organic Chemistry}, volume = {9}, year = {2020}, month = {FEB}, pages = {189-191}, type = {Article}, abstract = {

A highly enantioselective synthesis of sitagliptin, a potent DPP-4 inhibitor, is reported. Explicitly identified chiral FerroLANE ligands in the presence of rhodium catalyze the asymmetric hydrogenation of an enamine to yield sitagliptin with excellent enantioselectivity (98\% ee). The process was scaled up to 5 g and the final product was isolated as a phosphate salt with \>99\% ee.

}, keywords = {asymmetric hydrogenation, catalysis, FerroLANE ligands, Rhodium, sitagliptin}, issn = {2193-5807}, doi = {10.1002/ajoc.201900709, Early Access Date = JAN 2020}, author = {Khopade, V. Kishor and Sen, Anirban and Birajdar, Rajkumar S. and Paulbudhe, Uday P. and Kavale, Dattatry S. and Shinde, Prashant S. and Mhaske, Santosh B. and Chikkali, Samir H.} } @article {46602, title = {Highly reproducible, simple and selective analytical method for extractive UV-visible spectrophotometric determination of ruthenium (III): analysis of catalyst, fissium alloy and sequential separation}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {243}, year = {2020}, month = {DEC}, pages = {118814}, type = {Article}, abstract = {

An easy and selective method has been developed for the extractive spectrophotometric determination of ruthenium(III) with 4-(4{\textquoteright}-flurobenzylideneimino)-3-methyl-5-mercapto-1,2,4-triazole (FBIMMT) as a chelating reagent. The basis of the method is the formation of stable complex of {\textquoteleft}soft base{\textquoteright} FBIMMT with {\textquoteleft}soft acid{\textquoteright} ruthenium(M). The reagent FBIMMT in n-butanol easily forms extractable yellow coloured complex with ruthenium(III) in acetate buffer of pH 4.8. The absorbance of [Ru(III)-FBIMMT] complex is measured at 394 nm against the reagent blank. Good linearity range of concentration up to 27.0 mu g mL(-1) of ruthenium(III) is attained with correlation coefficient R-2 = 0.998. The optimum concentration range is 6 to 27.0 mu g mL(-1) which is deduced by Ringbom{\textquoteright}s plot. The apparent molar absorptivity found to be 2.75 x 10(3) L mol(-1) cm(-1). Some additional characteristics such as limit of detection (LOD = 0.48 mu g mL(-1)), limit of quantification (LOQ = 1.19 mu g mL(-1)), and Sandell{\textquoteright}s sensitivity (SS = of 0.0367 mu g cm(-2)) arc also estimated. The composition of [Ru (III)-FBIMMT1 complex has been established from Job{\textquoteright}s continuous variation method, mole ratio method, and log-log plot method. The specificity towards ruthenium(III) is well studied and appropriate masking agents are applied wherever required to boost it. The intra-day and inter-day precision values are found to be brilliant with \% relative standard deviation of 0.52 and 0.68 respectively with \% accuracy within the range of 99.00-100. The method is effectively used for determination of ruthenium(III) from water samples, binary and ternary synthetic mixtures, fissium alloy samples and catalyst materials. A scheme for sequential group separation of ruthenium(III), palladium(II) and osmium (VIII) has also been developed. The reproducible results of the present method confirm that the method has a good potential for quantitative determination of ruthenium(III) from various matrices. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Alloy samples, FBIMMT, Ruthenium(III), Spectrophotometric determination, Synthetic mixtures}, issn = {1386-1425}, doi = {10.1016/j.saa.2020.118814}, author = {Shaikh, Abdul B. and Barache, Umesh B. and Khogare, Balaji T. and Goswami, Ritusmita and Kokare, Balasaheb N. and Wadgaonkar, Prakash P. and Gaikwad, Shashikant H.} } @article {46775, title = {Ice templated nanocomposites containing rod-like hematite particles: Interplay between particle anisotropy and particle-matrix interactions}, journal = {Journal of Applied Physics}, volume = {128}, year = {2020}, month = {JUL }, pages = {034702}, type = {Article}, abstract = {

We demonstrate that the mechanical response of ice templated nanocomposite scaffolds prepared from ellipsoidal hematite particles is determined by both the particle aspect ratio and the interaction between the particles and the matrix polymer. We ice template aqueous dispersions of hematite particles, polyethyleneimine, and diepoxy crosslinker and crosslink the polymer in the frozen state. This protocol results in the formation of elastic macroporous monoliths capable of complete recovery from large compressive strains. Hematite particles show an inversion of their surface charge with pH: they are negatively charged at a basic pH and positively charged under acidic conditions. This allows us to change the interaction between hematite particles and crosslinked matrix polymer that they are embedded in, simply by immersing the monoliths in aqueous solutions with different pH{\textquoteright}s. We report that under basic conditions, viz, when polyethyleneimine adsorbs on the particle surface, there is a decrease in the monolith modulus with an increase in the particle aspect ratio. We demonstrate that this correlates with a change in the mechanism of monolith response: from wall compression for isotropic particles to wall bending for anisotropic particles with an aspect ratio of 4. Under acidic conditions (pH=2), where hematite particles show a positive zeta potential, the monolith modulus increases with the aspect ratio of the ellipsoidal fillers. Understanding the interplay between filler aspect ratio and filler-matrix interaction has important implications for the control of nanocomposite mechanical properties.

}, issn = {0021-8979}, doi = {10.1063/1.5144217}, author = {Kumaraswamy, Guruswamy and Suresh, Karthika and Lama, Hisay and Basavaraj, Madivala G. and Satapathy, Dillip K.} } @article {46891, title = {Identification and expression analysis of miRNAs and elucidation of their role in salt tolerance in rice varieties susceptible and tolerant to salinity}, journal = {PloS One}, volume = {15}, year = {2020}, month = {APR}, pages = {e0230958}, type = {Article}, abstract = {

Soil salinization is a serious problem for cultivation of rice, as among cereals rice is the most salt sensitive crop, and more than 40\% of the total agricultural land amounting to approximately 80 million ha the world over is salt affected. Salinity affects a plant in a varieties of ways, including ion toxicity, osmotic stress and oxidative damage. Since miRNAs occupy the top place in biochemical events determining a trait, understanding their role in salt tolerance is highly desirable, which may allow introduction of the trait in the rice cultivars of choice through biotechnological interventions. High throughput sequencing of sRNAs in the root and shoot tissues of the seedlings of the control and NaCl treated Pokkali, a salt-tolerant rice variety, identified 75 conserved miRNAs and mapped 200 sRNAs to the rice genome as novel miRNAs. Expression of nine novel miRNAs and two conserved miRNAs were confirmed by Northern blotting. Several of both conserved and novel miRNAs that expressed differentially in root and/or shoot tissues targeted transcription factors like AP2/EREBP domain protein, ARF, NAC, MYB, NF-YA, HD-Zip III, TCP and SBP reported to be involved in salt tolerance or in abiotic stress tolerance in general. Most of the novel miRNAs expressed in the salt tolerant wild rice Oryza coarctata, suggesting conservation of miRNAs in taxonomically related species. One of the novel miRNAs, osa-miR12477, also targeted L- upon salt treatment, which was confirmed by DAB staining. Thus, salt tolerance might involve miRNA-mediated regulation of 1) cellular abundance of the hormone signaling components like EREBP and ARF, 2) synthesis of abiotic stress related transcription factors, and 3) antioxidative component like LAO for mitigation of oxidative damage. The study clearly indicated importance of osa-miR12477 regulated expression of LAO in salt tolerance in the plant.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0230958}, author = {Parmar, Shaifaly and Gharat, Sachin Ashruba and Tagirasa, Ravichandra and Chandra, Tilak and Behera, Lambodar and Dash, Sushant Kumar and Shaw, Birendra Prasad} } @article {46746, title = {Imines as acceptors and donors in N-heterocyclic carbene (NHC) organocatalysis}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {AUG }, pages = {8537-8552}, type = {Article}, abstract = {

The synthetic potential of imines as electrophiles or as a source of nucleophilic coupling partner in N-heterocyclic carbene (NHC) catalysis for the synthesis of various nitrogen heterocycles and functionalized amines is highlighted in this Feature Article. Electrophilic imines are suitable candidates for intercepting the NHC-derived acyl anions, homoenolate equivalents, and (di)enolates for the synthesis of alpha-amino ketones and a variety of lactam derivatives. Moreover, enamines generated from imines bearing alpha-hydrogen could be trapped with alpha,beta-unsaturated acylazoliums for the synthesis of functionalized dihydropyridinones. NHCs are also useful for the umpolung of imines for the generation of aza-Breslow intermediates thus leading to the synthesis of indoles, quinolines, dihydroquinoxalinesetc.A concise account of the diverse reactivity of imines in NHC catalysis has been presented.

}, issn = {1359-7345}, doi = {10.1039/d0cc03290e}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @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 {46871, title = {Induction of somatic embryogenesis in leaf and root explants of Digitalis lanata Ehrh.: direct and indirect method}, journal = {South African Journal of Botany}, volume = {130}, year = {2020}, month = {MAY}, pages = {356-365}, type = {Article}, issn = {0254-6299}, doi = {10.1016/j.sajb.2020.01.012}, author = {Bhusare, B. P. and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {46725, title = {Influence of cobalt on performance of Cu-CeO2 catalysts for preferential oxidation of CO}, journal = {Journal of Rare Earths}, volume = {38}, year = {2020}, month = {SEP}, pages = {941-950}, type = {Article}, abstract = {

{Copper and cobalt oxides supported on CeO2 were investigated for preferential oxidation of carbon monoxide (CO-PROX) in the presence of excess hydrogen and CO2. (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) (x = 0, 0.25, 0.50, 0.75, 0.85 and 1) catalysts were prepared by coprecipitation method. These mixed oxide catalysts were characterized by several physicochemical techniques, such as BET surface area (SBET), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), temperature programmed reduction (TPR) and X-ray photoelectron spectroscopy (XPS). XRD studies show the peaks related to CuO and Co3O4 phases in copper and cobalt containing CeO2 catalysts. The average particle size of the CeO2 crystallites is in the range of 8-10 nm as evaluated from HRTEM studies. XPS studies demonstrate that Cu, Co and Ce in (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) catalysts are presented in +2 and +1, +3 and +2 and +4 and +3 oxidation states, respectively. The catalyst with x = 0.75 shows better activity and selectivity towards CO-PROX. Though the catalyst with only copper (CuO-CeO2

}, keywords = {CO-PROX, Cu-CeO2, H2O addition, Methanation, XPS, XRD}, issn = {1002-0721}, doi = {10.1016/j.jre.2019.08.001}, author = {Malwadkar, Sachin and Bera, Parthasarathi and Satyanarayana, C. V. V.} } @article {46714, title = {Integrating structurally perfect s=1/2 kagome-lattice with reduced graphene oxide}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {SEP}, pages = {19753-19759}, type = {Article}, abstract = {

S = 1/2 kagome-lattice hydroxychlorides are promising candidates for realizing the elusive quantum spin liquid (QSL) state. Herbertsmithite [Cu3Zn(OH)(6)Cl-2], a naturally occurring hydroxychloride mineral from the class of atacamites {[Cu-4-xMx(OH)(6)X-2] where M = Zn, Cu, Co, Ni and X = Cl, Br, I}, is one of the most appealing systems to study the QSL state because of the presence of a structurally perfect S = 1/2 kagome-lattice. It is an electrical insulator. However, realizing phase-pure herbertsmithite without imposing harsh reaction conditions remained synthetically challenging. In this work, for the first time, we have synthesized phase-pure herbertsmithite as well as its structural analogue paratacamite, [ZnxCu4-x(OH)(6)Cl-2; 0.33 = x \< 1], at ambient reaction conditions. Furthermore, taking graphene oxide (GO) as an additional precursor in the reaction mixture, we have successfully integrated phase-pure crystallites of herbertsmithite (H) and paratacamite (P) with nanosheets of semiconducting and diamagnetic reduced graphene oxide (rGO) by in situ oxidation-reduction reaction. The isolated H-rGO and P-rGO systems were found to be magnetic semiconductors inheriting strong spin frustration from H and P, and semiconductivity from rGO. The H-rGO system in particular exhibited negative Seebeck coefficient (n-type semiconductor) with a thermoelectric power factor of 0.1 mu W center dot m(-1)center dot K-2 at 400 K. We anticipate the simple chemical principles outlined in this work to be useful for studying a variety of complex QSLs including electron doping. Also, semiconducting and rather unconventional materials of such metal oxochlorides with rGO isolated here need further exploration in view of thermoelectric applications.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c06564}, author = {Gupta, Kriti and Dadwal, Arun and Ninawe, Pranay and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46926, title = {Investigating effect of strain on electronic and optical properties of lead free double perovskite Cs2AgInCl6 solar cell compound: A first principle calculation}, journal = {Journal of Alloys and Compounds}, volume = {817}, year = {2020}, month = {MAR}, pages = {152758}, type = {Article}, abstract = {

Despite serious problems associated with toxicity of lead, lead halide perovskite based solar cells have resulted with remarkable efficiency and hence gained much interest. To overcome this aspect, numerous solutions are attempted by researchers which include the development of new environmental friendly lead free double perovskite (DP) photovoltaic materials. Enlightening on the same line, we report first principle calculations on electronic and optical properties of Cs2AgInCl6 solar photovoltaic materials. Present opto-electronic computations for lead free DP compound, have been performed using the full potential linearized augmented plane wave method. In present investigations, we have adopted exchange and correlation potentials prescribed by Perdew et al. and the most accurate Tran-Blaha modified Becke-Johnson. Both exchange and correlation potential computations are performed with and without spin orbit coupling. Results obtained for electronic and optical properties are validated by systematic comparison with available experimental data. Reasonable reconciliation between investigated results and the available experimental data, endorse accuracy of present computations. To identify the effect of strain on energy gap and hence on the optical properties of Cs2AgInCl6 compound, computations of electronic and optical properties have also been performed under the different values of strain application. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Density functional theory, Electronic Structure, Optical properties, solar cells}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2019.152758}, author = {Soni, Amit and Bhamu, K. C. and Sahariya, Jagrati} } @article {46745, title = {Iron-catalyzed direct julia-type olefination of alcohols}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {AUG }, pages = {9876-9886}, type = {Article}, abstract = {

Herein, we report an iron-catalyzed, convenient, and expedient strategy for the synthesis of styrene and naphthalene derivatives with the liberation of dihydrogen. The use of a catalyst derived from an earth-abundant metal provides a sustainable strategy to olefins. This method exhibits wide substrate scope (primary and secondary alcohols) functional group tolerance amino, nitro, halo, alkoxy, thiomethoxy, and S- and N-heterocyclic compounds) that can be scaled up. The unprecedented synthesis of 1-methyl naphthalenes proceeds via tandem methenylation/double dehydrogenation. Mechanistic study shows that the cleavage of the C-H bond of alcohol is the rate-determining step.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01173}, author = {Landge, Vinod G. and Babu, Reshma and Yadav, Vinita and Subaramanian, Murugan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {47141, title = {Isothermal cold crystallization kinetics of borassus powder/poly(lactic acid) biocomposites}, journal = {Polymer Crystallization}, volume = {3}, year = {2020}, month = {FEB}, type = {Article}, abstract = {

Poly(lactic acid) (PLA) is an important bioplastic which is semicrystalline with very slow crystallization rate. Therefore, the processed PLA products are usually amorphous and transparent with low mechanical properties. Currently, research efforts are focused on enhancing the crystallization rate of PLA. In this work, natural borassus fibers are incorporated into PLA and the isothermal cold crystallization kinetics is investigated using differential scanning calorimetry and Avrami equation. The isothermal cold crystallization studies revealed that, the relative crystallinity increases with the increasing content of borassus. The Avrami exponent {\textquotedblleft}n{\textquotedblright} was determined ~2.0 indicated the one-dimensional crystal growth with rod-like geometry. The overall crystallization rate increased due to the borassus content and was expressed by crystallization halftime (t1/2). This study clearly showed that borassus fibers act as nucleating agent.

}, doi = {10.1002/pcr2.10097}, author = {Marathe, Yogesh Nana and Chellaswamy, Ramesh and Badiger, Manohar Virupax} } @article {46719, title = {LHRH-conjugated, PEGylated, poly-lactide-co-glycolide nanocapsules for targeted delivery of combinational chemotherapeutic drugs Docetaxel and Quercetin for prostate cancer}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {114}, year = {2020}, month = {SEP}, pages = {111035}, type = {Article}, abstract = {

One of the major challenges in effective cancer chemotherapy is the severe systemic cytotoxicities of anticancer drugs on healthy tissues. The present study reports chemically modified polymeric nanocapsules (NCs) encapsulating combination of chemotherapeutic drugs Docetaxel (DTX) and Quercetin (QU) for its active targeting to prostate cancer (PCa). The active targeting was achieved by conjugating Luteinizing-hormone-releasing hormone (LHRH) ligand to poly-lactide-co-glycolide (PLGA) using polyethylene glycol (PEG) as a spacer. The structure of the conjugates was characterized and confirmed using H-1 NMR and ATR-FTIR. The drug encapsulated NCs showed a homogenous size distribution with their size ranging between 120 and 150 nm, and exhibited a negative zeta potential in the range of - 20 to - 40 mV. The in vitro release studies highlighted the sustained drug release pattern from the respective NCs; while the PEG coating to polymeric NCs provided serum stability to the NCs. The in vitro biological evaluation of the NCs was conducted using PC-3 and LNCaP cell lines. The results of the cellular uptake studies showed a significantly higher untake of the LHRH targeted NCs, while the LHRH-targeted-PEGylated DTX: QU NCs exhibited higher caspase-3 activity. The cell viability assay results showed the enhanced cell inhibition activity of the combinatorial DTX: QU when compared to individual DTX. Further, higher cell cytotoxicity was achieved by LHRH-targeted DTX: QU NCs as compared to their free-form or non-targeted NCs. Finally, the results of in vivo tumor localization and in vivo antitumor activity studies complimented and upheld the in vitro results, demonstrating the beneficial role of PLGA-PEG-LHRH NCs encapsulating combination of DTX and QU in combating prostate cancer (PCa).

}, keywords = {Active targeting, Anticancer, Controlled release, EPR effect, Hydrophobic, Prostate}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.111035}, author = {Shitole, Ajinkya A. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand and Baruah, Meghna and Garnaik, Baijayantimala and Koratkar, Santosh} } @article {46991, title = {Ligand structure directed dimensionality reduction (2D -> 1D) in lead bromide perovskite}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {JAN}, pages = {1888-1897}, type = {Article}, abstract = {

Low dimensional (2D, 1D) lead halide perovskites are currently attracting huge research interest due to their enabling properties. Demonstrating synthetic control on the dimensionality/ structure of these perovskites is highly challenging. Dimensionality in these perovskites is largely dictated by the nature/structure and composition of the incorporating ligands and the utilized synthetic conditions. Here, we demonstrate chemical composition based control on reduction of dimensionality (2D -\> 1D) for lead bromide perovskite utilizing 2-(2-aminoethyl)isothiourea dihydrobromide as a common precursor ligand (Isothio Bromide). Controlling the hydrothermal reaction parameters (temperature, time) at a fixed precursor ratio affords corner-shared, contorted 2D sheet perovskite and corner-shared, contorted, chiral 1D chain perovskite. Such dimensionality reduction leads to contrasting photophysical properties: 1D chain perovskite shows long-lived and self-trapped broad band emission, whereas 2D perovskite shows short-lived, band edge emission with a long tail. Mechanistic studies and single crystal structure analysis reveal the incorporation of the utilized precursor ligand (Isothio Bromide) in 2D perovskite. Surprisingly, the 1D perovskite is found to be chiral (P2(1) space group) incorporating 2-(2-aminoethyldisulfanyl)ethanamine and ammonium ions as the achiral ligands generated in situ due to hydrothermal cleavage of the precursor (Isothio Bromide) ligand. Such structural and compositional change of the ligands, which manifests a different hydrogen bonding network in the resultant perovskite structure, plays a decisive role in dictating the final molecular formula and dimensionality/structure of the perovskite which largely controls their photophysical properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b11033}, author = {Bakthavatsalam, Rangarajan and Haris, Muhammed P. U. and Shaikh, Samir R. and Lohar, Amruta and Mohanty, Ashutosh and Moghe, Dhanashree and Sharma, Shivani and Biswas, Chinmoy and Raavi, Sai Santhosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {46627, title = {Macro and molecular level insights on gas hydrate growth in the presence of hofmeister salts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {NOV }, pages = {20591-20600}, type = {Article}, abstract = {

The effect of few monovalent salts (NaCl, NH4Cl, and GdmCl) as additives, according to the Hofrneister series on the growth of methane gas hydrates, has been studied using experiments as well as molecular dynamics (MD) simulation. Further, the Hofmeister effects on hydrate crystallization have been correlated with the methanol as an additive, which is a known thermodynamic hydrate inhibitor for hydrate growth. One of the previous studies (discussed later in this article) available in the literature concludes that methane hydrate formation from ice might show enhanced kinetics in the presence of salts; this behavior is contrary to the general usage of such salts as hydrate inhibitors. This conclusion may not necessarily be true for experiments done with liquid water, and therefore, this work explores the behavior of these salts in a lab-scale setup. In addition, current work reports detailed MD simulation studies to gain insight into the mechanism of hydrate formation in the presence of Hofmeister series salts at two different concentrations of 1 and 10 wt \% in water and compare the results with hydrate formation in the methanol-water system. Our study suggests that the presence of these additives at low concentrations (1 wt \%) does enhance the hydrate growth kinetics. However, at higher concentrations (10 wt \%), inhibition by these additives persisted, and prolonged nucleation, as well as retarded growth, was observed.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c04389}, author = {Choudhary, Nilesh and Kushwaha, Omkar Singh and Bhattacharjee, Gaurav and Chakrabarty, Suman and Kumar, Rajnish} } @proceedings {47328, title = {Magnetism in bimetallic NiII-CoII coordination polymer}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {American Institute of Physics Inc.}, abstract = {

Co-BDC ([Co2(OH)2BDC], H2BDC = 1,4-benzenedicarboxylic acid) is known to possess metamagnetism originating from the antiparallel spins and high magneto crystalline anisotropy of Co(II).1\ Herein, we have introduced a bimetallic concept by incorporating Ni(II) along with Co(II) in the same coordination polymer to modulate the magneto crystalline anisotropy in the lattice which in turn, affects the overall magnetic response of the coordination polymer. The Curie-Weiss equation fit suggested antiparallel arrangement of the spins (θ ≈ -62.5 K) of Ni(II) and Co(II) arranged in alternate fashion. The cusp in magnetization was observed at 7 K (Tc) with a significant coercive field of \~{}750 Oe at 5 K.

}, doi = {10.1063/5.0017747}, author = {Gupta, Kriti and Dadwal, Arun and Joy, Pattayil and Ballav, Nirmalya} } @article {46993, title = {Manganese-catalyzed alpha-olefination of nitriles with secondary alcohols}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {JAN}, pages = {947-954}, type = {Article}, abstract = {

An expedient catalytic approach for alpha-olefination of nitriles using secondary alcohols with the liberation of molecular hydrogen and water as the only byproducts is reported. This reaction is catalyzed by a molecularly defined manganese(I) pincer complex and operates in the absence of any hydrogen acceptors. A broad range of substrates including cyclic, acyclic, and benzylic alcohols, as well as various nitrile derivatives, such as arylmethyl and heteroarylmethyl nitriles, are employed in the reaction to provide a diverse range of alpha-vinyl nitriles in good to excellent yields. Mechanistic studies showed that the reaction proceeds via dehydrogenative pathway and the activation of alpha(C-H) bond of the alcohol is the rate-determining step.

}, keywords = {acceptorless dehydrogenation, Alcohol, alpha-olefination, Hydrogen, manganese}, issn = {2155-5435}, doi = {10.1021/acscatal.9b02811}, author = {Yadav, Vinita and Landge, Vinod G. and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {46755, title = {Maximization of furanic compounds formation by dehydration and hydrogenation of xylose in one step over SO3-H functionalized H-beta catalyst in alcohol media}, journal = {Biomass \& Bioenergy}, volume = {139}, year = {2020}, month = {AUG}, pages = {105646}, type = {Article}, abstract = {

Furanic compounds such as furfural (FUR); furfuryl alcohol (F. Alc) are important renewable platform chemicals can be used as such or further convert for preparation of other value added products such as Levulinic acid (LA), Alkyl Levulinates, 2-Methyltetrahydrofuran (MTHF), and Tetrahydrofuran (THF) etc. Sulfonated H-beta zeolite was successfully prepared and used for the synthesis of furanic compounds especially FUR and F. Alc from c-xylose in one step using isopropanol as alcohol media. Prepared catalyst was well characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), BET, NH3-Temperature programmed desorption (TPD) and carbon-hydrogen-nitrogen-sulfur analysis (CHNS). It was found the total acid amount was increased with increase in sulfur loading which confirmed the sulfonic acid group (SO3-H) was successfully grafted onto zeolite structure. 3 wt\% H-beta-SO3-H catalyst with optimized reaction parameters of 150 degrees C, 7 h, 25 wt\% catalyst loading was tuned to get the highest furanic compound yield of 88.5\% (FUR 76.8\% + F.Alc 11.7\%).The reusability study confirmed that there was a marginal drop of similar to 25\% after 3 recycle runs.

}, keywords = {furfural, Furfuryl alcohol, H-beta, isopropanol, sulfonated zeolite, Xylose}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2020.105646}, author = {Gupta, Anshita and Nandanwar, Sachin U. and Niphadkar, Prashant and Simakova, Irina and Bokade, Vijay} } @article {46945, title = {Melatonin interacts with repeat domain of Tau to mediate disaggregation of paired helical filaments}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {MAR}, pages = {129467}, type = {Article}, abstract = {

Tau is the major neuronal protein involved in the stabilization of microtubule assembly. In Alzheimer{\textquoteright}s disease, Tau self-assembles to form intracellular protein aggregates which are toxic to cells. Various methods have been tried and tested to restrain the aggregation of Tau. Most of the agents tested for this purpose have limitations in their effectiveness and availability to neuronal cells. We have tested melatonin, a neurohormone secreted by pineal gland and a well-known anti-oxidant, for its ability to interact with the repeat domain of Tau using ITC and NMR. In aggregation inhibition and disaggregation studies of repeat Tau, melatonin was found to modulate the aggregation propensity of repeat Tau at a concentration of 5000 mu M and was more effective in dissolving preformed aggregates rather than acting as an aggregation inhibitor. However, there were no major conformational changes in Tau in presence of melatonin as observed by CD spectroscopy. On the basis of our findings, we are proposing a mechanism by which melatonin can interact with the repeat domain of Tau and exhibit its disaggregation effect.

}, keywords = {Alzheimer{\textquoteright}s disease, Disaggregation, melatonin, Paired helical filaments, tau protein, Tauopathies}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.129467}, author = {Balmik, Abhishek Ankur and Das, Rashmi and Dangi, Abha and Gorantla, Nalini Vijay and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46613, title = {Melatonin reduces GSK3 beta-mediated tau phosphorylation, enhances Nrf2 nuclear translocation and anti-inflammation}, journal = {ASN Neuro}, volume = {12}, year = {2020}, month = {DEC}, pages = {1759091420981204}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is a neuropathological condition with abnormal accumulation of extracellular Amyloid-beta plaques and intracellular neurofibrillary tangles of Microtubule-associated protein Tau (Tau) in the brain. In pathological conditions, Tau undergoes post-translational modifications such as hyperphosphorylation by the activity of cellular kinases, which eventually leads to protein aggregation in neurons. Melatonin is a neuro-hormone that is mainly secreted from the pineal gland and functions to modulate the cellular kinases. In our study, we have checked the neuroprotective function of Melatonin by MTT and LDH assay, where Melatonin inhibited the Tau aggregates-mediated cytotoxicity and membrane leakage in Neuro2A cells. The potency of Melatonin has also been studied for the quenching of intracellular reactive oxygen species level by DCFDA assay and caspase 3 activity. Melatonin was shown to reduce the GSK3 beta mRNA and subsequent protein level as well as the phospho-Tau level (pThr181 and pThr212-pSer214) in okadaic acid-induced Neuro2A cells, as observed by western blot and immunofluorescence assay. Further, Melatonin has increased the cellular Nrf2 level and its nuclear translocation as an oxidative stress response in Tauopathy. The Melatonin was found to induce pro- and anti-inflammatory cytokines levels in N9 microglia. The mRNA level of cellular kinases such as as-GSK3 beta, MAPK were also studied by qRT-PCR assay in Tau-exposed N9 and Neuro2A cells. The immunomodulatory effect of Melatonin was evident as it induced IL-10 and TGF-beta cytokine levels and activated MAP3K level in Tau-exposed microglia and neurons, respectively. Melatonin also downregulated the mRNA level of pro-inflammatory markers, IL-1 beta and Cyclooxygenase-2 in N9 microglia. Together, these findings suggest that Melatonin remediated the cytokine profile of Tau-exposed microglia, reduced Tau hyperphosphorylation by downregulating GSK3 beta level, and alleviated oxidative stress via Nrf2 nuclear translocation.

}, keywords = {Alzheimer\&\#8217, Anti-inflammatory, GSK3\&\#946, melatonin, microglia, neurodegeneration, Nrf2, s disease, Tau hyperphosphorylation}, issn = {1759-0914}, doi = {10.1177/1759091420981204}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @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 {46789, title = {Nanocellulose reinforced flexible composite nanogenerators with enhanced vibrational energy harvesting and sensing properties}, volume = {2}, year = {2020}, month = {JUL}, pages = {2550-2562}, type = {Article}, abstract = {

We report here enhanced vibration and pressure sensing properties of nanocellulose reinforced flexible composite piezoelectric nanogenerators (PENGs). Surface fluorinated nanocellulose crystals (FNC) were incorporated into poly(vinylidene fluoride) (PVDF) and electrospun into composite nanofibers. Incorporation of only 2 wt \% FNC in PVDF resulted in a significant enhancement in pressure sensitivity with a very low detectable pressure limit of 10 Pa and a sensitivity of up to 18 mV/kPa. The composite PENGs also demonstrated very high sensitivity for forced continuous vibrations. 2FNC/PVDF composites resulted in an order of magnitude higher voltage response over neat PVDF for a given strain. When PENGs were mounted on a vacuum pump for transduction of mechanical vibrations into electrical energy, 2FNC/PVDF composite devices manifested similar to 3.8 times enhanced voltage output over neat PVDF and faster charging of a capacitor. The enhanced piezoelectric properties of PVDF/FNC nanocomposites could be attributed to the tailored interface between PVDF and nanocellulose and enhanced polarizability.

}, keywords = {Composite, Nanofiber, piezoelectric, pressure, Sensor, vibration}, issn = {2637-6105}, doi = {10.1021/acsapm.0c00158}, author = {Ram, Farsa and Gudadhe, Aniket and Vijayakanth, Thangavel and Aherrao, Swapnil and Borkar, Vivek and Boomishankar, Ramamoorthy and Shanmuganathan, Kadhiravan} } @article {47158, title = {Nanoparticle size-fractionation through self-standing porous covalent organic framework films}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JAN}, pages = {1161-1165}, type = {Article}, abstract = {

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

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

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

}, keywords = {air-stable nanomagnets, Covalent organic framework, Fe/Fe3O4 nanoparticles, low-density nanomagnets, magnetic rayon, nanoporous COF}, issn = {2574-0970}, doi = {10.1021/acsanm.0c01762}, author = {Kushwaha, Rinku and Kaleeswaran, Dhananjayan and Haldar, Sattwick and Chakraborty, Debanjan and Mullangi, Dinesh and Borah, Aditya and Vinod, Chathakudath P. and Murugavel, Ramaswamy and Vaidhyanathan, Ramanathan} } @article {46600, title = {Negative ion resonance states: the fock-space coupled-cluster way}, journal = {Journal of Physical Chemistry A}, volume = {124}, year = {2020}, month = {DEC}, pages = {10407-10421}, type = {Article}, abstract = {

The negative ion resonance states, which are electron-molecule metastable compound states, play the most important role in free-electron controlled molecular reactions and low-energy free-electron-induced DNA damage. Their electronic structure is often only poorly described but crucial to an understanding of their reaction dynamics. One of the most important challenges to current electronic structure theory is the computation of negative ion resonance states. As a major step forward, coupled-cluster theories, which are well-known for their ability to produce the best approximate bound state electronic eigen solutions, are upgraded to offer the most accurate and effective approximations for negative ion resonance states. The existing Fock-space coupled-cluster (FSCC) and the equation-of-motion coupled-cluster (EOM-CC) approaches that compute bound states are redesigned for the direct and simultaneous determination of both the kinetic energy of the free electron at which the electron-molecule compound states are resonantly formed and the corresponding autodetachment decay rate of the electron from the metastable compound state. This Feature Article reviews the computation of negative ion resonances using the FSCC approach and, in passing, provides the highlights of the equivalent EOM-CC approach.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.0c09148}, author = {Basumallick, Suhita and Sajeev, Y. and Pal, Sourav and Vaval, Nayana} } @article {46852, title = {NetConfer: a web application for comparative analysis of multiple biological networks}, journal = {BMC Biology}, volume = {18}, year = {2020}, month = {MAY}, pages = {53}, type = {Article}, abstract = {

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

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

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

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

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

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

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

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

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

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

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

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

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

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01195}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini K.} } @article {46973, title = {One-pot synthesis of bimodal (macro-meso, micro-mesoporous) silica by polyHIPE: parameter studies}, journal = {Journal of Porous Materials}, volume = {27}, year = {2020}, month = {FEB}, pages = {263-275}, type = {Article}, abstract = {

Porous silica with hierarchical organization of pore structure is desired for a variety of applications such as, chromatography, sensing, control release, scaffold for biomedical applications and catalysis. Highly porous polymers obtained from high internal phase emulsion (HIPE) templating route have attracted increasing attention of researchers due to their hierarchical porous and interconnected structure with high porosity and low density. The novel method adopted in our approach combines redox initiated polymerization using HIPE polymerization and an in-situ sol-gel processing technique followed by calcination to obtain highly porous materials. The obtained materials have reminiscent of polyHIPE morphology containing pores and interconnected pore throats in micrometer size range with mesopores on the wall of macropores. The effect of concentration of TEOS, volume of dispersed phase, crosslinker concentration, shear rate and surfactant concentration as well as variation in calcination temperatures on the properties of silica materials were examined.

}, keywords = {Mesoporous material, PolyHIPE, Polymer-silica hybrid, Porous silica}, issn = {1380-2224}, doi = {10.1007/s10934-019-00807-w}, author = {Wale, Apparav and Nalawade, Archana and Ponrathnam, Surendra and Rajan, C. R. and Badiger, Manohar} } @article {46838, title = {Palladium-catalyzed insertion of ethylene and 1,1-disubstituted difunctional olefins: an experimental and computational study}, journal = {ChemPlusChem}, volume = {85}, year = {2020}, month = {JUN}, pages = {1200-1209}, type = {Article}, abstract = {

Insertion or coordination copolymerization of ethylene with di-substituted olefins is challenging and the choice of di-substituted mono-functional olefin versus di-substituted di-functional olefin (DDO) appears to be decisive. Here we show that DDO-inserted species are amenable to ethylene insertion and polymerization. DDOs such as 2-acetamidoacrylic acid (AAA), methyl 2-acetamidoacrylate (MAAA), and ethyl 2-cyanoacrylate (ECA) were treated with palladium complex [{P perpendicular to O}PdMe(L)] (P perpendicular to O=kappa(2)-P,O-Ar2PC6H4SO2O with Ar=2-MeOC6H4; L=C2H6OS) and the existence of respective insertion intermediates in moderate yield (up to 37 \%) was established. These intermediates were exposed to ethylene and corresponding ethylene-inserted products were isolated and characterized. A careful comparison with three model compounds confirmed ethylene insertion and polymerization. Thus, the combined experimental and computational investigations show that DDO-inserted species can undergo ethylene insertion and polymerization.

}, keywords = {Homogeneous catalysis, insertion copolymerization, Olefins, Palladium, Polyethylene}, issn = {2192-6506}, doi = {10.1002/cplu.202000309}, author = {Gaikwad, Shahaji R. and Patel, Ketan and Deshmukh, Satej S. and Mote, Nilesh R. and Birajdar, Rajkumar S. and Pandole, Satish P. and Chugh, Jeetender and Chikkali, Samir H.} } @article {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 {47005, title = {Phagocytosis of full-length Tau oligomers by Actin-remodeling of activated microglia}, journal = {Journal of Neuroinflammation}, volume = {17}, year = {2020}, month = {JAN }, pages = {10}, type = {Article}, abstract = {

Background Alzheimer{\textquoteright}s disease is associated with the accumulation of intracellular Tau tangles within neurons and extracellular amyloid-beta plaques in the brain parenchyma, which altogether results in synaptic loss and neurodegeneration. Extracellular concentrations of oligomers and aggregated proteins initiate microglial activation and convert their state of synaptic surveillance into a destructive inflammatory state. Although Tau oligomers have fleeting nature, they were shown to mediate neurotoxicity and microglial pro-inflammation. Due to the instability of oligomers, in vitro experiments become challenging, and hence, the stability of the full-length Tau oligomers is a major concern. Methods In this study, we have prepared and stabilized hTau40(WT) oligomers, which were purified by size-exclusion chromatography. The formation of the oligomers was confirmed by western blot, thioflavin-S, 8-anilinonaphthaalene-1-sulfonic acid fluorescence, and circular dichroism spectroscopy, which determine the intermolecular cross-beta sheet structure and hydrophobicity. The efficiency of N9 microglial cells to phagocytose hTau40(WT) oligomer and subsequent microglial activation was studied by immunofluorescence microscopy with apotome. The one-way ANOVA was performed for the statistical analysis of fluorometric assay and microscopic analysis. Results Full-length Tau oligomers were detected in heterogeneous globular structures ranging from 5 to 50 nm as observed by high-resolution transmission electron microscopy, which was further characterized by oligomer-specific A11 antibody. Immunocytochemistry studies for oligomer treatment were evidenced with A11(+) Iba1(high) microglia, suggesting that the phagocytosis of extracellular Tau oligomers leads to microglial activation. Also, the microglia were observed with remodeled filopodia-like actin structures upon the exposure of oligomers and aggregated Tau. Conclusion The peri-membrane polymerization of actin filament and co-localization of Iba1 relate to the microglial movements for phagocytosis. Here, these findings suggest that microglia modified actin cytoskeleton for phagocytosis and rapid clearance of Tau oligomers in Alzheimer{\textquoteright}s disease condition.

}, keywords = {Actin, activation, Alzheimer{\textquoteright}s disease, microglia, migration, neurodegeneration, Tau Oligomers, Tauopathy}, doi = {10.1186/s12974-019-1694-y}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {46893, title = {Piezoelectric energy harvesting from a ferroelectric hybrid salt [Ph3MeP](4)[Ni(NCS)(6)] embedded in a polymer matrix}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JUN }, pages = {10368-10373}, type = {Article}, abstract = {

Organic-inorganic hybrid ferroelectrics are an exciting class of molecular materials with promising applications in the area of energy and electronics. The synthesis, ferroelectric and piezoelectric energy harvesting behavior of a 3d metal ion-containing A(4)BX(6) type organic-inorganic hybrid salt [Ph3MeP](4)[Ni(NCS)(6)] (1) is now presented. P-E hysteresis loop studies on 1 show a remnant ferroelectric polarization value of 18.71 mu C cm(-2), at room temperature. Composite thermoplastic polyurethane (TPU) devices with 5, 10, 15 and 20 wt \% compositions of 1 were prepared and employed for piezoelectric energy harvesting studies. A maximum output voltage of 19.29 V and a calculated power density value of 2.51 mW cm(-3) were observed for the 15 wt \% 1-TPU device. The capacitor charging experiments on the 15 wt \% 1-TPU composite device shows an excellent energy storage performance with the highest stored energies and measured charges of 198.8 mu J and 600 mu C, respectively.

}, keywords = {energy conversion, mechanical properties, non-covalent interactions, organic-inorganic hybrid composites, Phosphorus}, issn = {1433-7851}, doi = {10.1002/anie.202001250, Early Access Date = APR 2020}, author = {Vijayakanth, Thangavel and Ram, Farsa and Praveenkumar, Balu and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {46839, title = {Plant probiotic bacterial endophyte, alcaligenes faecalis, modulates plant growth and forskolin biosynthesis incoleus forskohlii}, journal = {Probiotics and Antimicrobial Proteins}, volume = {12}, year = {2020}, month = {JUN}, pages = {481-493}, type = {Article}, abstract = {

Coleus forskohliiis an herb, well-known for its medicinal compound forskolin present in its roots, with wide range of pharmaceutical applications. Here, we report, for the first time, the role of plant-probiotic bacterial endophytes ofC. forskohlii, CFLB1 and CFRB1, isolated from leaf and root, which regulate plant growth andin plantforskolin content. Native bacterial endophyte, CFRB1 (Alcaligenes faecalis), significantly modulates primary plant productivity and forskolin content under pot and field conditions. Under field conditions, CFRB1 endophyte application significantly enhanced photosynthetic pigments and reduced the severity of root-knot and root rot diseases. Expression analyses of functional genes involved in the forskolin biosynthesis inC. forskohliiplants treated with CFRB1 endophyte under field conditions revealed differential upregulation of fourC. forskohliiditerpene synthases (CfTPSs),CfTPS1,CfTPS2,CfTPS3andCfTPS4, along with cytochrome P450 (CfCYP76AH15) and acyltransferase (CfACT1-8) genes. CFRB1 treatment reduced the severity of nematode infection and root rot inC. forskohliiplants by 81 and 78\%, respectively. Overall, we demonstrate that cross-talk of plant-endophyte interaction inC. forskohliiis beneficial, leading to enhanced forskolin content through modulation of forskolin biosynthetic pathway genes along with increased plant yield and reduced disease incidence. Thus, endophytic isolate,A. faecalis(CFRB1), could be deployed as a novel bio-stimulant for enhancingin plantaforskolin content during cultivation ofC. forskohlii.

}, keywords = {Alcaligenes faecalis, CfACT1-8, CfCYP76AH15, CfTPSs, Coleus forskohlii, Forskolin, Plant-probiotic bacterial endophyte}, issn = {1867-1306}, doi = {10.1007/s12602-019-09582-1}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed G. and Vivek Babu, Chikkarasanahalli Shivegowda} } @article {46955, title = {Plausible diagnostic value of urinary isomeric dimethylarginine ratio for diabetic nephropathy}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {FEB}, pages = {2970}, type = {Article}, abstract = {

Altered circulatory asymmetric and symmetric dimethylarginines have been independently reported in patients with end-stage renal failure suggesting their potential role as mediators and early biomarkers of nephropathy. These alterations can also be reflected in urine. Herein, we aimed to evaluate urinary asymmetric to symmetric dimethylarginine ratio (ASR) for early prediction of diabetic nephropathy (DN). In this cross-sectional study, individuals with impaired glucose tolerance (IGT), newly diagnosed diabetes (NDD), diabetic microalbuminuria (MIC), macroalbuminuria (MAC), and normal glucose tolerance (NGT) were recruited from Dr. Mohans{\textquoteright} Diabetes Specialties centre, India. Urinary ASR was measured using a validated high-throughput MALDI-MS/MS method. Significantly lower ASR was observed in MIC (0.909) and MAC (0.741) in comparison to the NGT and NDD groups. On regression models, ASR was associated with MIC [OR: 0.256; 95\% CI: 0.158-0.491] and MAC [OR 0.146; 95\% CI: 0.071-0.292] controlled for all the available confounding factors. ROC analysis revealed ASR cut-point of 0.95 had C-statistic of 0.691 (95\% CI: 0.627-0.755) to discriminate MIC from NDD with 72\% sensitivity. Whereas, an ASR cut-point of 0.82 had C-statistic of 0.846 (95\% CI: 0.800 - 0.893) had 91\% sensitivity for identifying MAC. Our results suggest ASR as a potential early diagnostic biomarker for DN among the Asian Indians.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-59897-1}, author = {Parmar, Dharmeshkumar and Bhattacharya, Nivedita and Kannan, Shanthini and Vadivel, Sangeetha and Pandey, Gautam Kumar and Ghanate, Avinash and Ragi, Nagarjuna Chary and Prabu, Paramasivam and Pramodkumar, Thyparambil Aravindakshan and Manickam, Nagaraj and Mohan, Viswanathan and Sripadi, Prabhakar and Kuppan, Gokulakrishnan and Panchagnula, Venkateswarlu} } @article {46810, title = {Proteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction}, journal = {Journal of Proteomics}, volume = {222}, year = {2020}, month = {JUN}, pages = {103796}, type = {Article}, abstract = {

Reverse cholesterol transport (RCT) plays a critical role in removing cholesterol from the arterial wall. However, very few reports directly relate chronic inflammation and RCT with atherosclerosis. The present study was undertaken to investigate clinical implications of significantly altered circulating proteins in subjects with ST-segment elevation myocardial infarction (STEMI) in the manifestation of atherosclerotic events. Using a casecontrol design, more than 2500 proteins in both STEMI and healthy control subjects were identified by Orbitrap mass spectrometer. Quantitative proteomics study revealed downregulation of 26 proteins while expression of 38 proteins increased significantly in STEMI subjects compared to healthy controls. Pathway enrichment analyses indicated that most of the identified proteins were related to chronic inflammation, atherosclerosis, and RCT. Altered proteins such as AZGP1, ABCA5, Calicin, PGLYRP2, HAVCR2 and C17ORF57 were further validated by Western blotting analysis of human plasma. Pathophysiological significance was studied using macrophage derived foam cell for their critical role in RCT which indicated the imbalance of RCT via the interaction of AZGP1 with CD36. In summary, this study revealed a unique relationship of some novel proteins apparently responsible for impaired RCT and chronic inflammation leading to atherothrombosis and myocardial infarction. Significance: In the present study we identified \>= 2500 unique circulating proteins in healthy control and clinically diagnosed STEMI subjects among which 423 proteins were found to be common in both the groups. We further show 64 proteins significantly different between healthy control and STEMI subjects. Proteomic analyses reveal a panel of proteins associated with atherosclerosis and STEMI. One of the proteins, AZGP1, an adipokine, is likely to act as the missing link between chronic inflammation and cholesterol transport. Deregulation of reverse cholesterol transport might be orchestrated by AZGP1, CD36, ABCA5, and PPARy in STEMI subjects. The present study employs shotgun and quantitative proteomics followed by in vitro validations demonstrating a biochemical basis for reverse cholesterol transport in the local milieu of the luminal wall of the artery which are critical for plaque build-up and atherosclerosis.

}, keywords = {Atherosclerosis, AZGP1, CD36, Plasma proteomics, Reverse cholesterol transport, STEMI}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103796}, author = {Das, Apabrita Ayan and Choudhury, Kamalika Roy and Jagadeeshaprasad, M. G. and Kulkarni, Mahesh J. and Mondal, Prakash Chandra and Bandyopadhyay, Arun} } @article {46762, title = {Proteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction (vol 222, 103796, 2020)}, journal = {Journal of Proteomics}, volume = {224}, year = {2020}, month = {JUL}, pages = {103828}, type = {Correction}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103828}, author = {Das, Apabrita Ayan and Choudhury, Kamalika Roy and Jagadeeshaprasad, M. G. and Kulkarni, Mahesh J. and Mondal, Prakash Chandra and Bandyopadhyay, Arun} } @article {46607, title = {Radical rearrangement of aryl/alkylidene malononitriles via aza michael addition/decynoformylation/addition sequence: an access to alpha-aminonitriles and alpha-aminoamides}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {DEC }, pages = {14858-14865}, type = {Article}, abstract = {

An efficient, safe, and environmentally friendly tertiary butyl hydrogen peroxide (TBHP)-mediated rearrangement of aryl/alkylidene malononitrile with anilines has been developed with in situ generation of HCN as the cyanide source for the synthesis of substituted alpha-aminonitriles and alpha-aminoamide. A diverse set of alpha-aminonitriles and alpha-aminoamides was efficiently synthesized in good to excellent yields. This method features a broad substrate scope and good functional group tolerance, and the in situ-generated HCN bypasses the use of an external cyanide source.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01358}, author = {Bhoite, Shubhangi P. and Bansodes, Ajay H. and Suryavanshi, Gurunath} } @article {46822, title = {Rapid synthesis of zwitterionic phosphonium benzoates by a three-component coupling involving phosphines, arynes and CO2}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {JUL}, pages = {2203-2207}, type = {Article}, abstract = {

A mild and easy to perform multicomponent coupling involving phosphines, arynes generated from 2-(trimethylsilyl)aryl triflates, and CO(2)allowing the transition-metal-free synthesis of zwitterionic phosphonium benzoates has been developed. The reaction proceeds via the generation of 1 : 1 zwitterionic intermediates from phosphines and arynes followed by the interception with CO(2)to deliver the carboxylates in moderate to good yields instead of the anticipated benzooxaphosphol-3(1H)-ones.

}, keywords = {arynes, Carbon dioxide, multicomponent coupling, Phosphines, zwitterions}, issn = {1861-4728}, doi = {10.1002/asia.202000610, Early Access Date = JUN 2020}, author = {Bhattacharjee, Subrata and Raju, Anjali and Gaykar, Rahul N. and Gonnade, Rajesh G. and Roy, Tony and Biju, Akkattu T.} } @article {46797, title = {Renewing polyethylene: insertion copolymerization of sugar derived hydrophilic monomers with ethylene}, journal = {European Polymer Journal}, volume = {134}, year = {2020}, month = {JUL }, pages = {109775}, type = {Article}, abstract = {

Although highly desirable, insertion copolymerization of renewable resource derived functional olefins with ethylene has been rarely investigated. Herein, we report insertion copolymerization of challenging sugar derived isohexide mono-enes with ethylene in the presence of Pd-phosphinesulfonate acetonitrile catalyst (C1). Thus, copolymerization of ethylene with isomannide mono-ene (2a), isosorbide mono-ene (2b{\textquoteright}), isoidide mono-ene (2c) and methacryl-2,3,4,6-tetra-O-acetyl-D glucopyranoside (2d) afforded corresponding functionalized polyethylene (P2a-1 to P2d-1). High temperature proton NMR investigations revealed enchainment of 2a-2c in polyethylene backbone and the highest incorporation of 1.45\% was observed for 2c. The high temperature proton NMR results were further corroborated by solid state C-13 NMR and IR spectroscopy. Gel permeation chromatography analysis displayed weight average molecular weight in the range of 13.0-27.2 x 10(3) g/mol. The thus prepared copolymers revealed melting temperature in the range of 117-126 degrees C. Relatively reduced melting temperature compared to neat polyethylene may suggest an irregular arrangement of pendant functional group on polyethylene main chain.

}, keywords = {Hydrophilic polyethylene, insertion copolymerization, Isohexide mono-enes, Polyethylene, Sugar}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2020.109775}, author = {Rajput, Bhausaheb S. and Pawal, Sandip B. and Bodkhe, V. Dnyaneshwar and Rao, I. Nagamalleswara and Sainath, Annadanam V. Sesha and Chikkali, Samir H.} } @article {47453, title = {Reply to {\textquotedblleft}comment on {\textquoteleft}arresting an unusual amide tautomer using divalent cations{\textquoteright}{\textquotedblright}}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2020}, month = {DEC}, pages = {479{\textendash}483}, type = {Article}, abstract = {

In our publication, we assigned the blue-shifted shoulder of\ N-methylacetamide (NMA) in the infrared (IR) spectrum (\~{}1645 cm{\textendash}1) to an iminolate tautomer stabilized in the presence of divalent metal cations (e.g., 5 M Ca2+).(1)\ Cremer and co-workers comment that this shoulder arises from the dehydration of the amide oxygen upon interaction with the metal cations.(2,3)\ Their assignment is based on three interesting experimental observations: (1) the IR spectrum of\ 15N-isotope-labeled NMA does not show any considerable red-shift compared to that of NMA; (2) a new peak appears for NMA at 1680 cm{\textendash}1\ in the presence of 1 M DCl, which shows a 17 cm{\textendash}1\ red-shift for\ 15N-labeled NMA; and (3) the IR spectrum of acetone C=O stretch also demonstrates a blue-shifted shoulder in the presence of a high concentration of CaCl2.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c06005}, author = {Kashid, Somnath M. and Singh, Reman K. and Kwon, Hyejin and Seol, Jin Gyu and Kim, Yung Sam and Mukherjee, Arnab and Bagchi, Sayan} } @article {46773, title = {Residue-based propensity of aggregation in the Tau amyloidogenic hexapeptides AcPHF6*and AcPHF6}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL}, pages = {27331-27335}, type = {Article}, abstract = {

In Alzheimer{\textquoteright}s disease and related tauopathies, the aggregation of microtubule-associated protein, Tau, into fibrils occursviathe interaction of two hexapeptide motifs PHF*(275)VQIINK(280)and PHF(306)VQIVYK(311)as beta-sheets. To understand the role of the constituent amino acids of PHF and PHF* in the aggregation, a set of 12 alanine mutant peptides was synthesized by replacing each amino acid in PHF and PHF* with alanine and they were characterized by nuclear magnetic resonance (NMR) spectroscopy, circular dichroism (CD), transmission electron microscopy (TEM) and ThS/ANS fluorescence assay. Our studies show that while the aggregation was suppressed in most of the alanine mutant peptides, replacement of glutamine by alanine in both PHF and PHF* enhanced the fibrillization.

}, doi = {10.1039/d0ra03809a}, author = {Dangi, Abha and Balmik, Abhishek Ankur and Ghorpade, Archana Kisan and Gorantla, Nalini Vijay and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose and Marelli, Udaya Kiran} } @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 {46812, title = {Selective monoalkylation of hydroquinone in the presence of SO3H-functionalized ionic liquids as catalysts}, journal = {Chemical Papers}, volume = {74}, year = {2020}, month = {DEC}, pages = {4461-4471}, type = {Article}, abstract = {

A process aiming atO-alkylation of hydroquinone (HQ), where ionic liquids (ILs) act as catalyst is objectively described. Five SO3H-functionalized ILs having different cations were prepared and characterized by NMR and FTIR techniques. The acidity and thermal stability of ILs were determined by Hammett function and thermogravimetric analysis (TGA), respectively. The catalytic activity of these ILs were tested forO-alkylation of HQ with methanol in 4-methoxyphenol (4MP) in the presence of small amount of benzoquinone (BQ). The effect of reaction parameters such as temperature, time, catalyst loading and substrate concentration on the conversion of HQ and product distribution was examined and optimized to maximize the yield of 4MP using 1,3-disulfonic acid imidazolium hydrogen sulfate (IL2) catalyst. Maximum yield of desired product 4MP 93.79\% was obtained at 338 K temperature, 5.45 x 10(-2) mol HQ, 8.33 x 10(-3) mol BQ, and 10.37 mol\% catalyst loading in 120 min reaction time. Single-product formation was observed up to 338 K temperature but higher temperature (above 338 K) and longer reaction time resulted in the formation of 2,4-dimethoxyphenol (24DMP) as a by-product. Catalyst recyclability was also established up to the fifth run which showed no declination in its activity.

}, keywords = {4-Methoxyphenol, Benzoquinone, Hydroquinone, ionic liquids, O-alkylation}, issn = {2585-7290}, doi = {10.1007/s11696-020-01230-1, Early Access Date = JUN 2020}, author = {Bhongale, Priyanka V. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {46833, title = {Self-assembled helical arrays for the stabilization of the triplet state}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JUL}, pages = {13079-13085}, type = {Article}, abstract = {

Room-temperature phosphorescence of metal and heavy atom-free organic molecules has emerged as an area of great potential in recent years. A rational design played a critical role in controlling the molecular ordering to impart efficient intersystem crossing and stabilize the triplet state to achieve room-temperature ultralong phosphorescence. However, in most cases, the strategies to strengthen phosphorescence efficiency have resulted in a reduced lifetime, and the available nearly degenerate singlet-triplet energy levels impart a natural competition between delayed fluorescence and phosphorescence, with the former one having the advantage. Herein, an organic helical assembly supports the exhibition of an ultralong phosphorescence lifetime. In contrary to other molecules, 3,6-phenylmethanone functionalized 9-hexylcarbazole exhibits a remarkable improvement in phosphorescence lifetime (\>4.1 s) and quantum yield (11 \%) owing to an efficient molecular packing in the crystal state. A right-handed helical molecular array act as a trap and exhibits triplet exciton migration to support the exceptionally longer phosphorescence lifetime.

}, keywords = {carbazole, helicity, phenylmethanone, ultralong phosphorescence, waveguiding}, issn = {1433-7851}, doi = {10.1002/anie.202005105, Early Access Date = JUN 2020}, author = {Nidhankar, Aakash D. and Goudappagouda and Kumari, Divya S. Mohana and Chaubey, Shailendra Kumar and Nayak, Rashmi and Gonnade, Rajesh G. and Kumar, G. V. Pavan and Krishnan, Retheesh and Babu, Sukumaran Santhosh} } @article {46959, title = {Shape resonance of sulphur dioxide anion excited states using the CAP-CIP-FSMRCCSD method}, journal = {Molecular Physics}, volume = {118}, year = {2020}, month = {AUG }, type = {Article}, abstract = {

We have studied the shape resonance of excited states of sulphur dioxide (SO2) anion by using the correlated independent particle Fock space multi-reference coupled cluster (CAP-CIP-FSMRCCSD) method augmented by complex absorption potential. These resonant states have been trapped experimentally in recent years by electron collision. In particular, we have investigated e(-)-SO2 scattering and computed the negative-ion resonance states of the anion responsible for the two resonances around 4.45 and 6.56 eV and compared the results with the existing experimental observations. From the computational results using the CAP-CIP-FSMRCCSD method, it has been observed that both the resonances near 4.45 and 6.56 eV result from A(1) symmetries. [GRAPHICS] .

}, keywords = {CAP augmented correlated independent particle (CAP-CIP-FSMRCCSD), complex absorption potential (CAP), coupled cluster, Fock space multireference coupled cluster (FSMRCCSD), shape resonance}, issn = {0026-8976}, doi = {10.1080/00268976.2020.1726521, Early Access Date = FEB 2020}, author = {Basumallick, Suhita and Bhattacharya, Sumantra and Jana, Irina and Vaval, Nayana and Pal, Sourav} } @article {46823, title = {"Shape-coding{\textquoteright}{\textquoteright}: morphology-based information system for polymers and composites}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUN}, pages = {27555-27561}, type = {Article}, abstract = {

Fiber-reinforced composites have become the material of choice for aerospace structures because of their favorable strength-to-weight ratio. Given the increasing amounts of counterfeit composite parts showing up in the complex aerospace supply chain, it is absolutely vital to track a composite part throughout its lifecycle-from production to usage and to disposal. Existing barcoding methods are invasive, affect the structural properties of composites, and/or are vulnerable to tampering. We describe a universal method to store information in fiber-reinforced composites based on solid-state in situ reduction leading to embedded nanoparticles with controlled morphologies. This simple, cost-effective, mild, surfactant-free, and one-step protocol for the fabrication of embedded platinum nanostructures leads to morphology-based barcodes for polymeric composites. We also describe a coding methodology wherein a 1 x 1 cm code can represent 3.4 billion parts to 95 trillion parts, depending on the resolution required along with access to morphology-based chemical encryption systems.

}, keywords = {barcoding chemical encryption, epoxy composites, nanoparticle morphology control, solid-state synthesis}, issn = {1944-8244}, doi = {10.1021/acsami.0c05314}, author = {Pansare, V, Amol and Chhatre, Shraddha Y. and Khairkar, Shyam R. and Bell, Jeffrey G. and Barbezat, Michel and Chakrabarti, Subhananda and Nagarkar, Amit A.} } @inbook {47320, title = {Shape-controlled metal oxides for selective catalytic oxidation}, booktitle = {Advanced Heterogeneous Catalysts Volume 1: Applications at the Nano-Scale}, year = {2020}, pages = {291-318}, publisher = {Publisher: American Chemical Society}, organization = {Publisher: American Chemical Society}, abstract = {

Some of industrial processes involve selective oxidation reactions that include the use of corrosive and nonbenign oxidants and solvents. Many metal oxide-based catalysts have been reported for selective oxidation processes, and they exhibit a range of activities compared to homogeneous protocols and current practices. To bridge the gap between homogeneous and heterogeneous catalysis in terms of activity and selectivity and move toward green oxidation processes, this chapter discusses the shape-controlled synthesis of a selected range of metal oxides and their applications in selective catalytic oxidation reactions. This chapter also discusses some of the interesting micro- and nanostructured materials used in these reactions, as well as the roles of exposed predominant facets, defects, and other features and their effects on catalysis. Oxides of Mn, Co, Ce, Cu, Fe, La, and some combinations thereof are presented. Chemical reactions such as the selective oxidations of alcohol, ethyl benzene, styrene, xylene, and 5-hydroxymethylfurfural and the preferential oxidation of CO are also discussed.

}, doi = {10.1021/bk-2020-1359.ch010}, author = {Burange, Anand S. and Gopinath, Chinnakonda} } @article {47025, title = {Short review of synthetic routes for the antiepileptic drug (R)-lacosamide}, journal = {Organic Process Research \& Development}, volume = {24}, year = {2020}, month = {JAN}, pages = {17-24}, type = {Review}, abstract = {

The disease epilepsy affects people of all ages and is due to a chronic neurological disorder in the brain. According to a report by the World Health Organization, epilepsy is one of the most common global neurological diseases. (R)-Lacosamide (Vimpat) was introduced by UCB Pharma in 2008 for the treatment of partial-onset seizures in patients suffering from epilepsy. This review summarizes all of the available synthetic strategies reported for (R)-lacosamide, which will help medicinal chemists in the further development of its synthesis.

}, keywords = {antiepileptic drug, epilepsy, lacosamide, serine derivative, synthesis}, issn = {1083-6160}, doi = {10.1021/acs.oprd.9b00373}, author = {Aratikatla, Eswar K. and Bhattacharya, Asish K.} } @article {46608, title = {Silver-catalyzed cascade cyclization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides: an approach to diverse 3-diarylmethine substituted dihydropyrroles}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {DEC }, pages = {15038-15050}, type = {Article}, abstract = {

A silver-catalyzed cycloisomerization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides to access diverse diarylmethine substituted dihydropyrroles has been disclosed. The reaction pathway involves an intramolecular cascade cyclization of homopropargyl sulfonamides to generate a highly reactive dihydropyrrole intermediate in situ followed by conjugate addition with p-quinone methides. This method provides an efficient and scalable route for the synthesis of 3-diarylmethine substituted dihydropyrroles, in one pot.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01922}, author = {Shirsath, Sachin R. and Ghotekar, Ganesh S. and Bahadur, Vir and Gonnade, Rajesh G. and Muthukrishnan, M.} } @article {46701, title = {Site speci fic nitrogen incorporation in reduced graphene oxide using imidazole as a novel reducing agent for ef ficient oxygen reduction reaction and improved supercapacitive performance}, journal = {Carbon}, volume = {166}, year = {2020}, month = {SEP }, pages = {361-373}, type = {Article}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.05.011}, author = {Roy, Dipayan and Sarkar, Saikat and Bhattacharjee, Kaustav and Panigrahi, Karamjyoti and Das, Bikram Kumar and Sardar, Kausik and Sarkar, Sourav and Chattopadhyay, Kalyan Kumar} } @article {46678, title = {Solvent extraction of butanol from synthetic solution and fermentation broth: batch and continuous studies}, journal = {Separation and Purification Technology}, volume = {249}, year = {2020}, month = {OCT}, pages = {117058}, type = {Article}, abstract = {

Product recovery is one of the essential finishing steps to any commercial fermentation process. In acetone-butanol-ethanol (ABE) fermentation, butanol recovery is quite tedious mainly due to dilute product and multiple byproduct formation in complex media. Among different recovery methods, extraction has attracted considerable attention in biofuel recovery owing to its high selectivity, low energy consumption, and ease of operation. In present work, the butanol extraction performance from synthetic solvent mixture containing ABE was tested in batch and continuous operations using 20\% (v/v) decanol in oleyl alcohol. The optimized extraction conditions were then validated using actual fermentation broth to confirm effectiveness of the extraction operation. The distribution coefficient (K-d) and batch extraction efficiency (E) were in the range of 5.60-9.80 and 87.70-86.90\% for fermentation broth and synthetic solution, respectively for a given initial concentration of butanol in the aqueous phase. Further, E was relatively improved by supplementing different inorganic salts. Sodium hydroxide (5\%, w/v) was highly effective to recover butanol from fermentation broth (E similar to 97.70\%) with K-d of 33.10. Besides, the continuous counter current extraction of butanol in a packed column was performed. The volumetric mass transfer coefficient (kLa) was estimated to be 0.025 1/min at an optimized superficial velocity of the aqueous phase (0.28 cm/min) and sodium hydroxide concentration (5\%, w/v). Height of the extraction column was estimated to be 28.32 cm using height of transfer unit (HTU) and number of transfer unit (NTU) concept for extraction efficiency of 97.20\%. Overall, the present study has demonstrated an enhanced extraction efficiency of butanol from fermentation broth.

}, keywords = {Biobutanol, Equilibrium stages, Height of transfer unit, liquid-liquid extraction, mass transfer coefficient, Number of transfer unit}, issn = {1383-5866}, doi = {10.1016/j.seppur.2020.117058}, author = {Khedkar, Manisha A. and Nimbalkar, Pranhita R. and Gaikwad, Shashank G. and Chavan, V, Prakash and Bankar, Sandip B.} } @article {46635, title = {Solvent-less solid state synthesis of dispersible metal and semiconducting metal sulfide nanocrystals (vol 6, pg 12006, 2018)}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {NOV}, pages = {17000}, type = {Correction}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c07891}, author = {Bera, Abhijit and Busupalli, Balanagulu and Prasad, Bhagavatula L. V.} } @article {46715, title = {Spectroscopic evidences for the size dependent generation of pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst}, journal = {Applied Catalysis B-Environmental}, volume = {272}, year = {2020}, month = {SEP }, pages = {118934}, type = {Article}, abstract = {

A comprehensive size dependent CO oxidation activity has been demonstrated for Pd-SBA-15 catalysts with Pd NPs of varying sizes such as 1-2, 4-6 and 7-10 nm. Pd-SBA-15 catalyst with smallest sized NPs (Pd-S-N) has been synthesized by modified deposition precipitation method recently developed in our lab. Pd-S-N catalyst (reduced at 400 degrees C) demonstrated CO oxidation activity with lower light off temperature (50 degrees C), clearly one of the best reported for a Pd-silica system. A detailed XPS and in-situ DRIFTS analyses further supported by XAS and DFT calculations reveal the presence of easily decomposable highvalent Pd-oxide on co-ordinatively unsaturated Pd sites (Pdcus). Weak binding of CO on Pdcus sites in small Pd NPs leaving sites for oxygen activation is attributed to the low temperature activity of Pd-S-N for CO oxidation.

}, keywords = {CO oxidation, high-valent Pd species, Pd nanoparticles, SBA-15, under coordinated Pd atoms}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2020.118934}, author = {Soni, Yogita and Pradhan, Sumanta and Bamnia, Mahesh K. and Yadav, A. K. and Jha, S. N. and Bhattacharyya, D. and Khan, Tuhin Suvra and Haider, M. A. and Vinod, C. P.} } @article {46846, title = {Structural, electrochemical and catalytic activity of Prussian blue analogues embedded with functionalized carbon for solid state battery applications}, journal = {International Journal of Hydrogen Energy}, volume = {45}, year = {2020}, month = {MAY}, pages = {15317-15326}, type = {Article}, abstract = {

The nanoparticles of Mn-1.5[Cr(CN)(6)]center dot mH(2)O@Ni-1.5[Cr(CN)(6)]center dot nH(2)O core-shell prussian blue analogues (PBA) embedded with carbon additives (PBA-C) were synthesized and characterized as electrode material for solid state battery application. The impedance spectroscopy and cyclic voltametry were used to study the electrochemical properties by adding functionalized carbon in 1:1 proportion to improve the electrical performance. The value of room temperature electrical conductivity of core-shell PBA and core-shell nanoparticles mixed with vulcan carbon (PBA-C) are found to be 1.574 x 10(-3) and 1.92 x 10(-3) Scm(-1), respectively. Using Li2La3Zr2O12 (LZZO) electrolyte, single cell was fabricated with PBA-C material, and studied its charging-discharging cycles, which exhibits higher current density with stable performance for 400 cycles for time slots of 400 min. The study reveals that the PBA core-shell nanoparticles mixed with carbon (PBA-C) may be a potential candidate as an electrode material in the form of a single cell using LZZO electrolyte. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {cyclic voltametry, Electrolyte, Prussian blue analogues (PBA), Solid state battery, XPS}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2020.03.244}, author = {Shaikh, Shabana P. S. and Bhatt, Pramod and Yusuf, S. M. and Bhange, S. N. and Bansod, Sudhakar and Abdalla, Abdalla M.} } @article {46938, title = {Study of interfacial adhesion between nickel-titanium shape memory alloy and a polymer matrix by laser surface pattern}, journal = {Applied Sciences-Basel}, volume = {10}, year = {2020}, month = {MAR}, pages = {2172}, type = {Article}, abstract = {

The aim of this article is to investigate the interfacial adhesion of Ni-Ti shape memory alloy with a polymer matrix of Poly (methyl methacrylate) (PMMA). The surface pattern on Ni-Ti plates was channeled by a solid state laser machine. The laser machine allows for creating channels on the Ni-Ti surface for infiltration of the PMMA matrix, which could be attached as an intra-surface locking pattern to the Ni-Ti surface. The influence of the PMMA matrix on the surface of the NiTi plate was evaluated by thermomechanical analysis (TMA) and dynamic mechanical analysis (DMA). The surface characterization was carried out by an optical microscope on the PMMA/NiTi composite after mechanical testing. During mechanical testing, the polymer displays the multiple cracks in the longitudinal direction that result in slipping and fracture. TMA and DMA analyses were performed on the Ni-Ti- and PMMA-coated Ni-Ti ribbon to observe elasticity and the storage modulus for both samples. Better adhesion than 80 \% was observed in the Ni-Ti surface, in the laser surface pattern, in comparison to the free plain surface. However, the polymer acts as mechanical backing that caused a reduction in the shape-memory properties of the composite material.

}, keywords = {adhesion, mechanical properties, NiTi composites, NiTi plate, PMMA, Polymer, surface features}, doi = {10.3390/app10062172}, author = {Samal, Sneha and Tyc, Ondrej and Heller, Ludek and Sittner, Petr and Malik, Monika and Poddar, Pankaj and Catauro, Michelina and Blanco, Ignazio} } @article {46736, title = {Sunlight assisted improved photocatalytic degradation of rhodamine B using Pd-loaded g-C3N4/WO(3)nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {126}, year = {2020}, month = {AUG}, pages = {724}, type = {Article}, abstract = {

Effective photocatalytic degradation of organic toxic dyes from industrial effluents using low-cost nanomaterials as a photocatalyst under sunlight promises for water purification and environmental recovery. The present work is focused on the synthesis of Palladium (Pd) loaded g-C3N4/WO(3)nanocomposite using a facile method and its photocatalytic degradation of Rhodamine B (RhB) using under sunlight. The results of the photocatalytic dye degradation experiment show that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst degrades 98\% of RhB in 40 min of sunlight illumination. This remarkable photocatalytic degradation performance of Pd loaded g-C3N4/WO(3)nanocomposite mainly attributed due to their intrinsic photocatalytic activity and co-existence of enhanced light absorbance and efficient charge transfer process in between the g-C3N4/WO(3)heterojunction. The durability testing experiments indicate that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst could be effectively reused and possesses high photochemical structural stability even after several recycle process. Present experimental results demonstrated highly encouraging photo-degradation response of Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst at outdoor conditions paves the way for the development of energy conversion and environmental remediation process.

}, keywords = {Nanocomposite, Palladium loading, Photocatalysis, Photodegradation, Rhodamine B, Sunlight}, issn = {0947-8396}, doi = {10.1007/s00339-020-03914-7}, author = {Alman, Vidya and Singh, Kirti and Bhat, Tejasvinee and Sheikh, Arif and Gokhale, Suresh} } @article {46786, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and Amphotericin B on a clinical isolate of Leishmania donovani}, journal = {Journal of Proteomics}, volume = {223}, year = {2020}, month = {JUL }, pages = {103800}, type = {Article}, abstract = {

The present study provides comprehensive proteomics analyses of the response of L. donovani parasite to pharamacological stress in vitro. Identification of differentially expressed proteins with associated molecular functions and metabolic pathways, clearly provides an insight into the potential mechanism of the antileishmanial effects as well as a comparative response of the parasite to Guggul and AmB. Treatment of parasite with AmB results in an enhanced modulatory mechanism to counteract the drug induced stress which may have contributed to relapse. In the case of Guggul treatment, an effective antipromastigote activity was observed, which is being reported for the first time. Thus, a deeper understanding of the molecular pathways in the Leishmania parasite in response to pharmacological stress would help in designing novel and effective strategies in targeting the key molecules essential for parasite survival. It will also help in screening of new lead molecules targeting these vital pathways which could be used as an adjunct therapy along with the limited repertoire of antileishmanial drugs.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103800}, author = {Bar Routaray, Chinmayee and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {46735, title = {Synthesis and antimycobacterial screening of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline derivatives}, journal = {Journal of Heterocyclic Chemistry}, volume = {57}, year = {2020}, month = {NOV}, pages = {3918-3929}, type = {Article}, abstract = {

A new series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline (6a-t) have been synthesized by a click reaction of 4-(4-ethynyl-1-phenyl-1H-pyrazol-3-yl)quinoline (4a-d) with a substituted benzyl azide (5a-e). The starting alkyne derivatives4a-dare obtained from Bestmann-Ohira reaction of 1-phenyl-3-(quinolin-4-yl)-1H-pyrazole-4-carbaldehyde and dimethyl(1-diazo-2-oxopropyl)phosphonate. The newly synthesized compounds are screened againstM. tuberculosisH37Ra dormant and active,Escherichia coli,Pseudomonas fluorescence,Staphylococcus aureusandBacillus subtilisstrains at 30 mu g/mL concentration. Most of the screened compounds showed good to moderate antibacterial activity againstS. aureus,B. subtilis, andMycobacterium tuberculosisH37Ra strains. The synthesized derivatives of quinolinyl-pyrazole-4-carbaldehyde and quinolinyl-pyrazole-4-ethyne reportd good to moderate activity against both strains ofM. tuberculosisH37Ra. Ten derivatives of quinolinyl-pyrazole presented good activity againstB. subtilis. These results suggested that further optimization and development of quinolinyl-pyrazolyl-1,2,3-triazole moeity could serve as lead compounds for antimycobacterial activity.

}, issn = {0022-152X}, doi = {10.1002/jhet.4101, Early Access Date = AUG 2020}, author = {Thakare, Prashant P. and Walunj, Yogesh and Chavan, Abhijit and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {47138, title = {Synthesis and characterization of nylon 6 polymer nanocomposite using organically modified Indian bentonite}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {JUL}, pages = {Article number: 1412}, type = {Article}, abstract = {

In this present research work two different organic compounds are applied for the modification of Indian origin bentonite. One\ is with n-hexadecyltrimethylammonium bromide (CTAB), intercalated with an\ interlayer of bentonite via cation exchange mechanism. Whereas, another with 3-Aminopropyl trimethoxysilane (APTES) interlayer functionalization with bentonite {\textendash}OH group. APTES and CTAB{\textendash}intercalated bentonites samples were further cross modified with CTAB and APTES to obtain novel co-surfactant locked organo bentonite modeling (CLOM) like matrices. Original and modified bentonite samples were comparatively evaluated by advanced characterization techniques such as, powder X-ray diffraction, Fourier-transform infrared spectroscopy, thermal gravimetric analysis (TGA). Moreover,\ the\ applicability of the developed CLOM like materials were investigated in nylon 6 nanocomposite preparation by melt compounding method using a micro twin co-rotated extruder. Additionally, CLOM-nylon-6 polymer nanocomposites were characterized by wide angle X-ray diffraction, TGA, differential scanning calorimetry, atomic force microscopy and tensile strength measurement. The observed thermograph results confirmed no significant difference in the thermal properties of the developed composites. Whereas, the significant variation observed in the tensile strength results particularly for developed composite 5\% of N6-OAMSB and N6 AMOSB 5 showed 111.5 and 76.6\% respective enhancement in tensile strength results when compared with a bare nylon-6 polymer.

}, doi = {10.1007/s42452-020-2579-5}, author = {Kumaresan, S. and Rokade, Dhammaraj S. and Marathe, Yogesh N. and Ingole, Pravin G. and Pawar, Radheshyam R. and Pol, Harshawardhan V. and Bajaj, Hari C.} } @article {47312, title = {Synthesis, crystal structure and Hirshfeld surface analysis of the hydrated form of N{\textquoteright}, N-(1,4-phenylenebis(methanylylidene) di(iso-nicotinic hydrazide)}, journal = {Chemical Data Collections}, volume = {28}, year = {2020}, month = {AUG}, type = {Article}, abstract = {

The title compound, C20H16N6O2\ was synthesized by reflux with isonicotinic hydrazide and terephthaldehyde in ethanol solvent with the acidic condition. The single-crystal X-ray structure determination of the title compound,\ N, N-(1,4-phenylene bis (methanylylidene) di(iso-nicotinic hydrazide), reveals that the molecule crystallizes in center of symmetry with water molecules (Dihydrated form, C20H16N6O2.2H2O) through N-H...O and C-H...O hydrogen bondings. Further, the crystal structure is stabilized by O-H...O and weak C-H...N hydrogen bondings with the formation of infinite chain and dimer. Further, surface analysis and fingerprint plot reveal that the significant hydrogen bonding such as H{\textbullet}{\textbullet}{\textbullet}O (15.9\%) and N{\textbullet}{\textbullet}{\textbullet}H (11.4\%) interactions play the most crucial role for its molecular packing.

}, doi = {10.1016/j.cdc.2020.100401}, author = {Ingle, Kapil S. and Mohurle, Smital A. and Bairagi, Keshab M. and Shaikh, Tabrez R. and Venugopala, Katharigatta N. and Chandrashekharappa, Sandeep and Gonnade, Rajesh G. and Nayak, Susanta K.} } @article {46912, title = {Synthesis of artemisinic acid derived glycoconjugates and their anticancer studies}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {MAR}, pages = {2252-2263}, type = {Article}, abstract = {

Glycoconjugates, due to their diverse functions, are widely regarded as biologically important molecules. Artemisinic acid 1 occurs naturally in the plant Artemisia annua and is considered to be the biogenetic precursor of the antimalarial drug, artemisinin 2. We report herein the design and synthesis of diverse artemisinic acid derived glycoconjugates. We have synthesized 12-O-artemisinic acid-glycoconjugates (7a-k) and 12-N-artemisinic acid-glycoconjugates (8a-k) by utilizing Cu(i)-catalyzed azide-alkyne cycloaddition reactions (Click chemistry) with various synthesized sugar azides (6a-k) in good to excellent yields along with two fluorescently labeled compounds, 12-O-artemisinic acid-glycoconjugate 11 and 12-N-artemisinic acid-glycoconjugate 12, to investigate the mode of action of these compounds in biological systems. All the synthesized artemisinic acid glycoconjugates were assayed for their efficacy against the MCF7 cell line. Our anticancer studies indicated that all the synthesized compounds inhibited the growth of MCF7 cells in a dose dependent manner, barring compounds 4 and 7d. However, these compounds exhibit moderate cytotoxicity, as is evident from their IC50 values.

}, issn = {1477-0520}, doi = {10.1039/d0ob00216j}, author = {Kotammagari, Tharun K. and Paul, Sayantan and Barik, Ganesh K. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {46790, title = {Synthesis of diverse nitrogen fused polycyclic dihydroisoquinoline (DHIQ) derivatives via GBB-based cyclic iminium induced double-annulation cascade}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {JUL}, pages = {152101}, type = {Article}, abstract = {

A highly efficient and distinct Bronsted acid-mediated unprecedented cyclic iminium induced double annulation cascade (DAC) protocol for the synthesis of novel dihydroindazolo[30,20:2,3]imidazo[5,1-a]isoquinolinamines has been achieved through the three-component Groebke-Blackburn-Bienayme reaction. The transformation is based on sequential cascade processes involving imine formation followed by an intramolecular nucleophilic substitution to generate a highly reactive cyclic iminium species, which would undergo a rapid [4 + 1] formal cycloaddition steps in one-pot fashion. This strategy provides novel skeletally diverse complex nitrogen fused polycyclic DHIQ derivatives by employing readily available substrates and a simple procedure, which would render this method potentially useful in organic synthesis. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {diversity-oriented synthesis, Excellent yields, GBB-based approach, Novel polycyclic N-fused architecture, Scalable}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152101}, author = {Balwe, Sandip Gangadhar and Vagh, Sandip S. and Jeong, Yeon Tae} } @article {46967, title = {Synthesis of ethyl furfuryl ether (potential biofuel) by etherification of furfuryl alcohol with ethanol over heterogenized reusable H1Cs2PW12O40 catalyst}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {APR}, pages = {2309-2325}, type = {Article}, abstract = {

{Ethyl furfuryl ether (EFE) considered as potential biofuel can replace petroleum diesel up to 100\%. EFE also has efficient blending properties with biodiesel to improve its cold flow properties. Herein we demonstrate efficient synthesis of EFE by etherification of renewable furfuryl alcohol (FAlc) with ethanol over heterogenized heteropoly acids. Cs-exchanged heterogenized heteropoly acid (H3-xCsxPW12O40

}, keywords = {B, etherification, Ethyl furfuryl ether, Furfuryl alcohol, H3-xCsxPW12O40, Heterogenized heteropoly acid, L ration}, issn = {0922-6168}, doi = {10.1007/s11164-020-04093-z, Early Access Date = FEB 2020}, author = {Mulik, Nagesh L. and Niphadkar, Prashant S. and Bokade, Vijay V.} } @article {47004, title = {TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {JAN }, pages = {D992-D1005}, type = {Article}, abstract = {

The volume of biological, chemical and functional data deposited in the public domain is growing rapidly, thanks to next generation sequencing and highly-automated screening technologies. These datasets represent invaluable resources for drug discovery, particularly for less studied neglected disease pathogens. To leverage these datasets, smart and intensive data integration is required to guide computational inferences across diverse organisms. The TDR Targets chemogenomics resource integrates genomic data from human pathogens and model organisms along with information on bioactive compounds and their annotated activities. This report highlights the latest updates on the available data and functionality in TDR Targets 6. Based on chemogenomic network models providing links between inhibitors and targets, the database now incorporates network-driven target prioritizations, and novel visualizations of network subgraphs displaying chemical- and target-similarity neighborhoods along with associated target-compound bioactivity links. Available data can be browsed and queried through a new user interface, that allow users to perform prioritizations of protein targets and chemical inhibitors. As such, TDR Targets now facilitates the investigation of drug repurposing against pathogen targets, which can potentially help in identifying candidate targets for bioactive compounds with previously unknown targets. TDR Targets is available at https://tdrtargets.org.

}, issn = {0305-1048}, doi = {10.1093/nar/gkz999}, author = {Landaburu, Lionel Uran and Berenstein, Ariel J. and Videla, Santiago and Maru, Parag and Shanmugam, Dhanasekaran and Chernomoretz, Ariel and Aguero, Fernan} } @article {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 {47336, title = {Time: a web application for obtaining insights into microbial ecology using longitudinal microbiome data (vol 9, 36, 2018)}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2020}, month = {NOV}, pages = {605295}, type = {Correction}, keywords = {clustering, community state, Granger causality algorithm, Microbiome, time series, visualization, Web server}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.605295}, author = {Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46950, title = {TiO2 nanoparticles decorated on BiOCl flakes with enhanced visible light photocatalytic activity}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {FEB }, pages = {2618-2626}, type = {Article}, abstract = {

Facile preparation route for BiOCl and BiOCl/TiO2 nanocomposites with TiO2 nanoparticles decorated on BiOCl flakes via solution combustion method is reported in the present paper. Structural, textural and optical properties of the prepared materials are extensively studied using various physicochemical characterization tools such as X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), UV-vis spectroscopy (DRS), N-2 adsorption-desorption study (BET), photoluminescence spectroscopy (PL), etc. BiOCl/TiO2 nanocomposites show a red shift in the light absorption as compared to that of bare BiOCl which leads to the extended absorption in visible light region. Further photocatalytic experiments for Rhodamine B and phenol degradation demonstrate that the BiOCl/TiO2 nanocomposites have superior photocatalytic properties than bare BiOCl. Improved photocatalytic performance of BiOCl/TiO2 composites is attributed to the synergistic effect between BiOCl flakes and TiO2 nanoparticles, extended visible light absorption and delayed charge recombination.

}, keywords = {BiOCl, Hydoxyl radical evaluation, p-n heterojunction, phenol degradation, Photocatalysis, TiO2 nanocomposites}, issn = {2365-6549}, doi = {10.1002/slct.201904656}, author = {Shinde, Deepali S. and Bhange, Pallavi D. and Jha, Ratnesh K. and Bhange, Deu S.} } @article {46650, title = {Total synthesis of beshanzuenone D and its epimers and abiespiroside A}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {NOV }, pages = {8561-8565}, type = {Article}, abstract = {

A unified and protecting-group-free six-step total synthesis of bisabolane-type sesquiterpenoid beshanzuenone D and its stereoisomers and abiespiroside A using S-(+)-carvone as a common chiral-pool building block is disclosed. This synthetic route features chemoselective allylic chlorination of carvone, Au(I)-catalyzed cydoisomerization induced construction of furan from homopropargylic diol, substrate-controlled selective hydroxylation using Davis-oxaziridine, and dye-sensitized photo-oxidation (through O-1(2)) of hydroxyalkyl tethered furan to access oxaspirolactone as key transformations. A comprehensive set of NMR data along with DFT calculations, ECD spectra, and optical rotation measurements of the synthesized beshanzuenone D and its epimers were obtained to confirm absolute configurations.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c03157}, author = {Borade, Balasaheb R. and Dixit, Ruchi and Kontham, Ravindar} } @article {46860, title = {Transient alpha-helix in the N-terminal RNA recognition motif of polypyrimidine tract binding protein senses RNA secondary structure}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {MAY}, pages = {4521-4537}, type = {Article}, abstract = {

The polypyrimidine tract binding protein (PTB) is a multi-domain protein involved in alternative splicing, mRNA localization, stabilization, polyadenylation and translation initiation from internal ribosome entry sites (IRES). In this latter process, PTB promotes viral translation by interacting extensively with complex structured regions in the 5{\textquoteright}-untranslated regions of viral RNAs at pyrimidine-rich targets located in single strand and hairpin regions. To better understand how PTB recognizes structured elements in RNA targets, we solved the solution structure of the N-terminal RNA recognition motif (RRM) in complex with an RNA hairpin embedding the loop sequence UCUUU, which is frequently found in IRESs of the picornovirus family. Surprisingly, a new three-turn alpha 3 helix C-terminal to the RRM, folds upon binding the RNA hairpin. Although alpha 3 does not mediate any contacts to the RNA, it acts as a sensor of RNA secondary structure, suggesting a role for RRM1 in detecting pyrimidine tracts in the context of structured RNA. Moreover, the degree of helix formation depends on the RNA loop sequence. Finally, we show that the alpha 3 helix region, which is highly conserved in vertebrates, is crucial for PTB function in enhancing Encephalomyocarditis virus IRES activity.

}, issn = {0305-1048}, doi = {10.1093/nar/gkaa155}, author = {Maris, Christophe and Jayne, Sandrine and Damberger, Fred F. and Beusch, Irene and Dorn, Georg and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {46759, title = {Transition metal nickel prevents Tau aggregation in Alzheimer{\textquoteright}s disease}, journal = {International Journal of Biological Macromolecules}, volume = {156}, year = {2020}, month = {AUG }, pages = {1359-1365}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is the leading cause of dementia, effecting majority of aged people worldwide. The multifaceted effectors of Alzheimer{\textquoteright}s disease primarily include Tau, amyloid-beta along with hyper activation of kinases, oxidative stress and mutations etc., makes it challenging to design therapeutics. Tau is a microtubule-associating protein, which is subjected to cellular stress resulting in the formation of neurofibrillary tangles, leading to loss of affinity for microtubules. This causes loss of microtubule stability and in turn alters axonal integrity. In the present work, emphasis towards understanding interaction of nickel with Tau was made. Metals such as iron, zinc, copper and lead etc., are known to modulate Tau conformation and enhance its aggregation. Our results showed the deliverance of Tau aggregation by nickel and its synthetic morpholine conjugate. Nickel prevents aggregation by inducing degradation of Tau as evidenced by SDS-PAGE and TEM. Nickel and the synthetic conjugate being non toxic to neuro2a cells and prevent Tau aggregation, might direct these complexes to overcome AD. (C) 2019 Published by Elsevier B.V.

}, keywords = {Aggregation, Alzheimer{\textquoteright}s disease, metals, Morpholine, Nickel chloride, Tau}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.11.176}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {46910, title = {Transmetallation vs adduct: diverse reactivity of N,O-ketiminato germylene with [Cp*MCl2](2) (M = Rh or Ir; Cp* = eta(5)-C5Me5) and MCl5 (M = Nb and Ta)}, journal = {Journal of Organometallic Chemistry}, volume = {911}, year = {2020}, month = {APR }, pages = {121142}, type = {Article}, abstract = {

The reactions of the germylenes, [(Dipp)NCMeCHCORGeCl] (1a: R = Me, 1b: R = Ph) with [Ir2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] led to the formation of the adducts [(Dipp)NCMeCHCORGeClIrCl2Cp*] (3a: R = Me and 3b: R = Ph). On the other hand, [Rh2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] does not react with the germylenes (1a and 1b). When the reactions of 1a and 1b are carried out with [Cp*TaCl4], the reaction led to decomposition. The reaction of 1a or 1b with TaCl5 yielded the transmetallated products [(Dipp)NCMeCHCORTaCl4] (4a: R = Me, 4b: R = Ph) with the extrusion of GeCl2. Our theoretical studies show that for, the insertion of TaCl5 to 1a and the formation of 4a with concomitant elimination of GeCl2 is energetically favourable. Extrusion of SnCl2 is also observed when the corresponding stannylene, [(Dipp)NCMeCHCOMeSnCl] was reacted with TaCl5. All these compounds have been characterized by H-1 and C-13 NMR spectroscopy, elemental analysis and the constitution of compounds 1b, 3b, and 4a were confirmed by single-crystal X-ray crystallography. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Adduct formation, Germylenes, Iridium, Ketoiminate, Tantalum, Transmetallation}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2020.121142}, author = {Raghavendra, Beesam and Bakthavachalam, K. and Das, Tamal and Roisnel, Thierry and Sen, Sakya S. and Vanka, Kumar and Ghosh, Sundargopal} } @article {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 {46982, title = {Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties}, journal = {Journal of Inorganic Biochemistry}, volume = {203}, year = {2020}, month = {FEB}, pages = {110903}, type = {Article}, abstract = {

{Three water-soluble tris-heteroleptic ruthenium(II) polypyridyl complexes [Ru(bpy)(phen)(bpg)](2+) (1), [Ru (bpy)(dppz)(bpg)]2+ (2), and [Ru(phen)(dppz)(bpg)]2+ (3) (where bpy = 2,2{\textquoteright}-bipyridine

}, keywords = {Circular dichroism, Cytotoxicity, fluorescence, Polypyridyl, ruthenium}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2019.110903}, author = {Bhat, Satish S. and Kumbhar, Avinash S. and Purandare, Neeraja and Khan, Ayesha and Grampp, Gunter and Loennecke, Peter and Hey-Hawkins, Evamarie and Dixit, Ruchi and Vanka, Kumar} } @article {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 {46984, title = {Tuning phosphorescence features of triphenylamines by varying functional groups and intermolecular interactions}, journal = {Dyes and Pigments}, volume = {173}, year = {2020}, month = {FEB}, pages = {107931}, type = {Article}, abstract = {

Organic room temperature phosphorescent materials are known for their synthetic feasibility, tunable phosphorescence wavelength and lifetime, etc. Hence new design strategies have been applied on various fluorophores to improve phosphorescence features. Among those, triphenylamines are phosphorescence active due to the presence of nitrogen atom, propeller molecular structure, and intermolecular interactions in the crystal state. Here we have studied the room temperature phosphorescence of a series of triphenylamines with various functional groups. Detailed studies have shown that the phosphorescence can be fine-tuned by functional group modification. A long phosphorescence lifetime around 100 ms at room temperature in air can be achieved by the interplay of intermolecular interactions, singlet-triplet energy gap and extent of intersystem crossing using functional group variation. Interestingly, an exciplex assisted ultralong phosphorescence lifetime (more than 20 times) is observed for a combination of triphenylamine and naphthalenemonoimide in air.

}, keywords = {Exciplex, fluorescence, Phosphorescence, triphenylamine}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2019.107931}, author = {Goudappagouda and Asokan, Kiran and Nayak, Rashmi and Krishnan, Retheesh and Babu, Sukumaran Santhosh} } @article {46677, title = {Understanding the role of solvent properties on reaction kinetics for synthesis of silica nanoparticles}, journal = {Chemical Engineering Journal}, volume = {398}, year = {2020}, month = {OCT}, pages = {125427}, type = {Article}, abstract = {

The effect of various alcoholic solvents and their compositions on the size of silica particles synthesized through hydrolysis and condensation of tetraethyl orthosilicate (TEOS) is studied. The alcohols used are: Methanol, ethanol, propanol, i-propanol, butanol, pentanol, hexanol, octanol, decanol and do-decanol. Ethanol was used as a co-solvent with the higher molecular weight alcohols. Silica particles of size between 100 nm and 2 mu m were obtained by changing solvent composition. Concentrations of total soluble silica and silicic acid were measured and used for exploring the kinetics of hydrolysis and condensation reactions. Polarity, steric hindrance and viscosity of solvent were found to have a strong influence on the rate constants and size of silica nanoparticles. An attempt is made to correlate both final particle size and rate constants with dielectric constant, Wiener index and viscosity of the solvent.

}, keywords = {condensation, Hydrolysis, kinetics, silica particles, Solvents, Stober process}, issn = {1385-8947}, doi = {10.1016/j.cej.2020.125427}, author = {Bari, Atul H. and Jundale, Rajashri B. and Kulkarni, Amol. A.} } @article {46601, title = {Understanding unfolding and refolding of the antibody fragment (Fab). I. In-vitro study}, journal = {Biochemical Engineering Journal}, volume = {164}, year = {2020}, month = {DEC}, pages = {107764}, type = {Article}, abstract = {

In-vitro protein refolding is a major rate-limiting step in the large scale production of antibody fragments expressed using a microbial source like E. coli. This investigation is focused on understanding the in-vitro unfolding and refolding of the multi-domain protein involving inter-domain disulfide linkage, like antibody fragment (Fab). Solubilization behavior of the inclusion bodies and unfolding events of Fab fragment (Biosimilar rHu Ranibizumab) were studied using nano-differential scanning fluorimetry (nano-DSF). Fab unfolding behavior was studied by fitting experimental data with the two-state and three-state thermodynamic model. Based on the Fab unfolding understanding, a two-stage design of experiment (DoE) strategy was used for the optimization of the in-vitro refolding condition of a Fab fragment. Refolding yield of 56.03 +/- 1.15 \% was achieved using the optimized oxidative refolding conditions maintained by appropriate dilution factor and redox reagent ratio. Refolding kinetics of the rHu Ranibizumab was analyzed using a three-parameter kinetic model showing rate constant k(1) :7.05e(-6) l/mg.min, k(2) :0.57 l/mg.min, and k(3) :310.19 l/mg.min. Based on observed refolding kinetics, it was concluded that the Fab refolding follows a three-state mechanism with the refolding intermediate/(s) formation from light and heavy chain of the Fab fragment as an overall rate-limiting step. The method described here is a useful tool to identify high-yield scalable refolding conditions for multi-domain proteins involving inter-domain disulfide bonds.

}, keywords = {Antibody fragment, In-vitro refolding, Refolding kinetics, rHu Ranibizumab, Two-state and Three-state models}, issn = {1369-703X}, doi = {10.1016/j.bej.2020.107764}, author = {Gani, Kayanat and Bhambure, Rahul and Deulgaonkar, Prashant and Mehta, Deepa and Kamble, Manoj} } @article {46885, title = {Unique N doped Sn3O4 nanosheets as an efficient and stable photocatalyst for hydrogen generation under sunlight}, journal = {Nanoscale}, volume = {12}, year = {2020}, month = {APR}, pages = {8502-8510}, type = {Article}, abstract = {

Unique N doped Sn3O4 nanosheets have been demonstrated successfully using a facile hydrothermal method. Investigations of the triclinic phase and the impurities were performed using powder X-ray diffraction analysis (XRD) and Raman spectroscopy. The morphological analysis demonstrated a rectangular intra- and inter-connected nanosheet-like structure. The length of the nanosheets was observed to be in the range of 200-300 nm and the thickness of the nanosheets was less than 10 nm. The optical study reveals an extended absorption edge into the visible region, owing to the incorporation of nitrogen into the lattice of Sn3O4, which was further confirmed using X-ray photoelectron spectroscopy (XPS). Considering the band structure in the visible region, the photocatalytic activities of pristine and N doped Sn3O4 nanosheets for hydrogen evolution from water under natural sunlight were investigated. 4\% N-Sn3O4 showed a higher photocatalytic activity (654.33 mu mol(-1) h(-1) 0.1 g(-1)) for hydrogen production that was eight times that of pristine Sn3O4. The enhanced photocatalytic activity is attributed to the inhibition of charge carrier separation owing to the N doping, morphology and crystallinity of the N-Sn3O4 nanostructures. A stable efficiency was observed for three cycles, which clearly shows the stability of N-Sn3O4.

}, issn = {2040-3364}, doi = {10.1039/c9nr10439a}, author = {Balgude, Sagar and Sethi, Yogesh and Gaikwad, Aarti and Kale, Bharat and Amalnerkar, Dinesh and Adhyapak, Parag} } @article {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 {46667, title = {Unraveling the role of excess ligand in nanoparticle pattern formation from an evaporatively dewetting nanofluid droplet}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {OCT}, pages = {23446-23453}, type = {Article}, abstract = {

Nanoparticle (NP) patterning on a solid surface via nanofluid droplet evaporation is one of the most fascinating topics of research. Quite intriguingly, though a dose of excess ligand has been invariably included in all of the experimental studies that resulted in large-area NP patterns, the role of this excess ligand has been addressed inadequately in the modeling studies carried out so far. Addressing this, we have conducted systematic studies by including excess ligand both in our experiments and modeling, and correlated the results with each other. For this, we prepared nearly monodispersed thiol-protected gold nanoparticle dispersion in toluene and added calculated amounts of excess thiol before drop-casting it onto a transmission electron microscopy (TEM) grid. Subsequently, upon solvent evaporation, the patterns formed were imaged using conventional electron microscopy and analyzed with customized image processing tools, to perform statistically significant measurements. Our study demonstrates the ability of soluble excess ligand to induce NP aggregation under nonequilibrium condition, leading to large-area monolayer formation. These experimental results were then rationalized by Monte Carlo simulations, based on a modified coarse-grained two-dimensional (2D) lattice-gas model. We found that excess ligand facilitates NP spinodal phase separation under nonequilibrium conditions, largely governed by the interplay between ligand-solvent and nanoparticle-ligand interactions. Using power spectrum density analysis, we clearly demonstrate that these spatial patterns have fractal surface characteristics due to persistent fractional Brownian motion within subdiffusion limit.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c07259}, author = {Bhattacharjee, Kaustav and Biswas, Korak and Bhagavatula L. V. Prasad} } @article {46731, title = {Unsymmetrical squaraine dyes for dye-sensitized solar cells: position of the anchoring group controls the orientation and self-assembly of sensitizers on the TiO2 surface and modulates its flat band potential}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {AUG}, pages = {18436-18451}, type = {Article}, abstract = {

The position of the anchoring group is systematically changed with a series of alkyl group wrapped donor-acceptor-donor (D-A-D) based squaraine dyes, 4-SQ to 7-SQ, for the use in dye-sensitized solar cells (DSSCs). By this approach, the orientation as well as the self-assembly of the sensitizers can be controlled on the semiconducting TiO2 surface. All of the dyes functionalized with hydrophobic alkyl groups at sp(3)-C and N atoms of the indoline units that is far away from the TiO2 surface to control the self-assembly of dyes and passivate the surface. Controlling both the orientation as well as the self-assembly of the sensitizers synergistically enhances the V-oc of the DSSC device by imparting the dipole moment on the TiO2 surface and minimizing the interfacial charge recombination process of electrons from TiO2 to the oxidized electrolyte, respectively. Further, the presence of a meta-carboxyl group with respect to the N atom of the indoline donor unit for the dyes 4-SQ and 6-SQ makes them nonconductive for the charge injection process, which sheds light on the importance of through-space electron transfer for the device performance. Emission from the relaxed twisted state was found to be a deactivation pathway for 4-SQ on TiO2 and ZrO2, which revealed the importance of structural factors that promote spatial interaction between the sensitizer and metal oxide surface. Computational studies showed the systematic changes in the dipole moment for the sensitizers 4-SQ, 5-SQ, and 6-SQ upon anchoring to the TiO2 surface. The DSSC device performance varied with the position of anchoring groups in the sensitizers. The DSSC device performance of 5-SQ indicates a J(sc) value of 11.35 mA cm(-2), V-oc of 0.698 V, and ff of 77\% corresponding to a power conversion efficiency of 6.08\% in the presence of 3 equiv of coadsorbent CDCA, which is nearly 1.5 times higher than 6-SQ (V-oc 0.7 V, J(sc) 7.76 mA cm(-2), ff 76\%, and eta 4.14\%) and 2.6 times higher than 4-SQ (V-oc 0.658 V, J(sc) 4.42 mA cm(-2), ff 78\%, and eta 2.28\%). IPCE studies revealed the importance of orientation for the charge injection and self-assembly of dyes, as devices with 5-SQ and 6-SQ as a sensitizer showed 94 and 77\% response at 578 nm, respectively, which correspond to the aggregated structure of the dye. Mott-Schottky and IPCE experiments showed that the orientation of sensitizers could modulate the V-oc due to the shift in the flat band potential of TiO2.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c05176}, author = {Singh, Ambarish Kumar and Maibam, Ashakiran and Javaregowda, Bharathkumar H. and Bisht, Rajesh and Kudlu, Ashwath and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {46978, title = {Variations in activity of Ru/TiO(2 )and Ru/Al2O3 catalysts for CO2 hydrogenation: an investigation by in-situ infrared spectroscopy studies}, journal = {Molecular Catalysis}, volume = {482}, year = {2020}, month = {FEB}, pages = {110700}, type = {Article}, abstract = {

CO2 hydrogenation to methane, an important reaction strategically and also for value adding to CO2, is investigated on two different catalysts, Ru supported on alumina as well as titania to understand better low temperature activity of Ru/TiO2 catalyst. In-situ infrared studies are carried out in three different steps, viz., (i) CO2 adsorption on fully reduced catalyst (ii) reaction of these adsorbed species with gaseous H-2 and (iii) under co-feed of CO2 and H-2, at different temperatures. On Ru/Al2O3 catalyst, CO2 reacts with hydroxyls on the support surface to form carbonate and adsorbs reductively on metal as CO. Further reduction to formate and methyl species occurs on reaction with H. Small concentration of the reactive intermediate formyl forms only at high temperatures. Whereas, bare TiO2 itself seems capable of reductive adsorption of CO2 as formate indicating enhanced reducibility of titania based catalyst. Formyl groups are observed at low temperatures in Ru/TiO2 in step (ii), which further forms methyl and gaseous methane at much lower temperatures when compared to alumina catalyst. Highly reactive CO species loosely bound to metal-support interface observed at high temperatures, which is not present on Ru/Al2O3 catalyst also makes this catalyst superior. In comparison, linearly bound CO seen in alumina catalyst is not as reactive.

}, keywords = {CO2 hydrogenation, In-situ infra red spectroscopy, Ru/Al2O3, Ru/TiO2}, issn = {2468-8231}, doi = {10.1016/j.mcat.2019.110700}, author = {Dongapure, Pavan and Bagchi, Sayan and Mayadevi, S. and Devi, R. Nandini} } @article {46878, title = {Whole-cell phenotypic screening of medicines for malaria venture pathogen box identifies specific inhibitors of plasmodium falciparum late-stage development and egress}, journal = {Antimicrobial Agents and Chemotherapy}, volume = {64}, year = {2020}, month = {MAY}, pages = {e01802-19}, type = {Article}, abstract = {

We report a systematic, cellular phenotype-based antimalarial screening of the Medicines for Malaria Venture Pathogen Box collection, which facilitated the identification of specific blockers of late-stage intraerythrocytic development of Plasmodium falciparum. First, from standard growth inhibition assays, we identified 173 molecules with antimalarial activity (50\% effective concentration [EC50] \<= 10 mu M), which included 62 additional molecules over previously known antimalarial candidates from the Pathogen Box. We identified 90 molecules with EC50 of \<= 1 mu M, which had significant effect on the ring-trophozoite transition, while 9 molecules inhibited the trophozoite-schizont transition and 21 molecules inhibited the schizontring transition (with \>= 50\% parasites failing to proceed to the next stage) at 1 mu M. We therefore rescreened all 173 molecules and validated hits in microscopy to prioritize 12 hits as selective blockers of the schizont-ring transition. Seven of these molecules inhibited the calcium ionophore-induced egress of Toxoplasma gondii, a related apicomplexan parasite, suggesting that the inhibitors may be acting via a conserved mechanism which could be further exploited for target identification studies. We demonstrate that two molecules, MMV020670 and MMV026356, identified as schizont inhibitors in our screens, induce the fragmentation of DNA in merozoites, thereby impairing their ability to egress and invade. Further mechanistic studies would facilitate the therapeutic exploitation of these molecules as broadly active inhibitors targeting late-stage development and egress of apicomplexan parasites relevant to human health.

}, keywords = {DNA fragmentation, egress, Medicines for Malaria Venture, MMV, Pathogen Box, phenotypic screening, Plasmodium falciparum, schizonts, stage-specific inhibition}, issn = {0066-4804}, doi = {10.1128/AAC.01802-19}, author = {Patra, Alok Tanala and Hingamire, Tejashri and Belekar, Meenakshi A. and Xiong, Aoli and Subramanian, Gowtham and Bozdech, Zbynek and Preiser, Peter and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {46743, title = {Wide thermal range, exclusive occurrence of technically significant chiral nematic phase: synthesis and mesomorphism of cholesterol-based non-symmetric dimers}, journal = {Bulletin of Materials Science}, volume = {43}, year = {2020}, month = {AUG }, pages = {188}, type = {Article}, abstract = {

Fifteen new non-symmetric chiral dimers belonging to three different series have been synthesized and evaluated for their mesomorphic properties. They are formed by interlinking cholesterol with salicylaldimine (SAN) cores (with reverse imine groups) via an omega-oxyalkanoyloxy spacer. Within a series, the length of the terminaln-alkoxy tails has been varied for a fixed even-parity spacer. Three even-parity spacers such as 4-oxybutanoyloxy, 6-oxyhexanoyloxy and 8-oxyoctanoyloxy have been used to join two cores, whereas the terminal tails such asn-butyloxy,n-hexyloxy,n-octyloxy,n-decyloxy andn-dodecyloxy chains have been attached to the SAN core. Microscopic and calorimetric experimental results show that all the dimers behave identically exhibiting the chiral nematic (N*) phase solely, which was authenticated by powder X-ray diffraction studies carried out on some selected samples. In the vast majority of the cases, this phase is thermodynamically stable, and while cooling, it exists over a wide thermal range covering room temperature (RT) due to supercooling. This finding is notable given the fact that the N* phase possesses technologically significant optical properties. At RT, the N* phase displayed one of the iridescent colours characteristically caused by interference and diffraction of the reflected and scattered light. A comparative study reveals that the lengths of both the terminal chain and central spacer influence the clearing temperature of the dimers, and also the temperature range of the N* phase. The selective reflection measurements revealed that the pitch of the N* phase is either temperature sensitive or temperature insensitive. Temperature-dependent circular dichroism (CD) spectra were recorded for the planar texture of the N* phase formed by a dimer, as a representative case. The presence of an intense negative CD band suggests the left-handed screw sense of the N* phase helix.

}, keywords = {CD activity, cholesteric phase, dimers, liquid crystals, selective reflection}, issn = {0250-4707}, doi = {10.1007/s12034-020-02120-8}, author = {Nayak, Rashmi Ashwathama and Bhat, Sachin A. and Rao, D. S. Shankar and Yelamaggad, V. C.} } @article {46970, title = {WO3 nanorods bearing interconnected Pt nanoparticle units as an activity-modulated and corrosion-resistant carbon-free system for polymer electrolyte membrane fuel cells}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1908-1921}, type = {Article}, abstract = {

Commercial platinum-supported carbon (Pt/C) catalyst is the most widely used oxygen reduction reaction (ORR) electrocatalyst in polymer electrolyte membrane fuel cells (PEMFCs). However, carbon oxidation in Pt/C during the operation of PEMFCs poses serious issues, particularly in meeting long-term durability of the cells. Although carbon-free Pt-based catalysts are considered to be the best alternatives, the single-cell performances reported for many such systems are found to be inferior to that of the carbon-based systems. As a practical way to realize a carbon-free electrocatalyst, we have developed a system by dispersing an interconnected Pt nanoparticle network on the nanorods of tungsten oxide (WO3). Uniform dispersion of the WO3 nanorods by fine and more or less interconnected Pt nanoparticles (20 wt \%) is a key feature of the electrocatalyst. This has helped the system to achieve an intrinsic ORR characteristics which is very similar to that of Pt/C, as reflected from the comparative analysis of the onset potential, half-wave potential, limiting current density, and the number of electrons transferred in the ORR process. Pt/WO3 also shows better stability under start-stop accelerated potential cycling after 10 000 cycles, compared to Pt/C. The relative decrement in the electrochemically active surface area (ECSA) for Pt/WO3 nanorods was negligible, compared to the similar to 26\% decrement registered by Pt/C under the identical testing conditions. Finally, a system-level validation in a single-cell model of PEMFC by fabricating a membrane electrode assembly (MEA) with Pt/WO3 as both the anode and cathode catalyst delivered comparable output power density as that of a similar system fabricated by using Pt/C. ECSA comparison in MEA shows the potential use of Pt/WO3-400 as the catalyst for the fuel cells, since it is exhibiting an ECSA value that is 3.4 greater than that of Pt/C at a Pt loading of 0.5 mg cm(-2).

}, keywords = {Carbon-free, electrocatalyst, fuel cell, oxygen reduction reaction, tungsten oxide}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02333}, author = {Kumar, Sachin and Bhange, Siddheshwar N. and Soni, Roby and Kurungot, Sreekumar} } @article {47595, title = {Access to a variety of Ge(II) and Sn(II) compounds through substitution of hypersilyl moiety}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {AUG }, pages = {2651-2657}, type = {Article}, abstract = {We have prepared amidinato-germylene (3) and -stannylene (4) with a tris(trimethylsilyl)silyl substituent and subsequently substituted the hypersilyl moiety by reacting 3 with chlorophosphines, which led to phosphino germylenes (5 and 6) with concomitant liberation of (Me3Si)(3)SiCl. Exploiting the fluoride affinity of the silicon atom, we have prepared pentafluoropyridyl germylene (7) and -stannylene (8) by reacting 3 and 4 with C5F5N with simultaneous elimination of (Me3Si)(3)SiF. These are the first examples of aryl germylenes or stannylenes prepared via C-F bond activation of a perfluoroarene. The reaction of 4 with Me3NO resulted in a novel Sn2O2 ring (9). All compounds were characterized by single-crystal X-ray structure determination studies.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00306}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47585, title = {Active nickel hollow nanosphere supported over SiO2 catalyst for reduction of nitro compound}, journal = {Particulate Science and Technology}, volume = {40}, year = {2021}, month = {APR}, pages = {325-335}, type = {Article}, abstract = {

Nickel hollow nanospheres (Ni HNSs) was prepared by solvothermal method using mixture of ethylenediamine (EN) and ethanol (ET), sodium borohydride as reducing agent and nickel chloride hexahydrate as precursor. The particle size of the Ni HNSs were tuned by varying several parameters including precursor concentrations, reaction temperatures (130-190 degrees C), and ET to EN volume ratios. The particle size and morphology of Ni HNSs were confirmed by dynamic light scattering and transmission electron microscope, respectively. Spherical shape of Ni nanoparticles of 300 nm size having similar to 200 nm hollow space and 50 nm thickness was achieved at optimize condition of 4:6 volume ratio of ET/EN, 150 degrees C temperature, 0.1 M NaBH4 concentration, and 7 h. Ni HNSs supported over SiO2 (Ni HNSs/SiO2) with different loading of Ni HNSs (1-10 wt.\%) were prepared by impregnation method. The catalyst was characterized by X-ray diffraction, and inductively coupled plasma - optical emission spectroscopy. The catalytic performance of Ni HNSs/SiO2 was carried out in the reduction of 4-Nitrophenol (4-NP) to 4 - Aminophenol (4-AP). 5 wt.\% Ni HNSs/SiO2 exhibited 87\% reduction of 4-NP in 25 min and stable up to 6 catalyst cycles due to higher surface area of the catalyst.

}, keywords = {4-Aminophenol, 4-nitrophenol, Catalyst, hollow nanospheres, Nanoparticles, Nickel}, issn = {0272-6351}, doi = {10.1080/02726351.2021.1947424}, author = {Pawar, Priyanka S. and Lokhande, Aboli A. and Nandanwar, Sachin U. and Niphadkar, Prashant S. and Bokade, Vijay V.} } @article {47042, title = {Advances in C(sp(2))-H/C(sp(2))-H oxidative coupling of (Hetero)arenes using 3d transition metal catalysts}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {APR}, pages = {1998-2022}, type = {Review}, abstract = {

C-H/C-H oxidative coupling has emerged as a straightforward and powerful technique for the construction of (hetero)biaryls, with substantial application to drug discovery, agrochemicals, biology, and material sciences. Mainly aryl-aryl, aryl-heteroaryl, and heteroaryl-heteroaryl couplings via double C(sp(2))-H activation using 4d or 5d noble transition metal catalysts have been extensively studied. Considering the earth-abundant and inexpensive nature of 3d transition metals, the sustainable development of C(sp(2))-H/C(sp(2))-H oxidative coupling employing such metal catalysts has gained significant attention. In this review, we present a comprehensive overview of C(sp(2))-H/C(sp(2))-H oxidative coupling of (hetero)arenes catalyzed by 3d transition metals.

}, keywords = {(hetero)biaryls, 3d transition metal, Biaryls, C-H activation, cross-dehydrogenative coupling}, issn = {1615-4150}, doi = {10.1002/adsc.202001498, Early Access Date = MAR 2021}, author = {Bansal, Sadhna and Shabade, Anand B. and Punji, Benudhar} } @article {46739, title = {Advances in solid catalysts for selective hydrogenolysis of glycerol to 1,3-propanediol}, journal = {Catalysis Reviews-Science and Engineering}, year = {2021}, month = {JAN}, type = {Review}, abstract = {

Glycerol is one of the top 12 platform chemicals obtained from biomass. Its surplus availability as a by-product of biodiesel, fat-splitting and soap manufacturing industries and affordable price lends significant opportunity for its valorization, using solid catalysts, into propanediols (PDOs), particularly to 1,3-propanediol (1,3-PDO), by selective hydrogenolysis. 1,3-PDO is an important chemical with wide applications including that as a precursor in polymers manufacturing. However, the synthesis of 1,3-PDO by selective cleavage of the secondary C-O bond of glycerol in the presence of hydrogen (instead of the primary C-O bond yielding 1,2-PDO) is highly challenging. Of late, supported Pt and Ir catalysts in combination with a reducible oxide (WO(x)or ReOx) were found selective for 1,3-PDO formation. Support, metals composition and additives (co-added metals) affect the performance of these catalysts. Detailed investigations revealed that metal dispersion, electronic connectivity between metal and metal oxide/support, hydrogen activation/spillover and Bronsted acidity are some parameters that influence the activity and selectivity of these bi-functional, metal-metal oxide catalysts. This review summarizes the latest advances in these solid catalysts for selective hydrogenolysis of glycerol to 1,3-PDO, a monomer for advanced polymers.

}, keywords = {1, 3-Propanediol, bifunctional metal-metal oxide catalyst, biomass valorization, Glycerol, Hydrogenolysis}, issn = {0161-4940}, doi = {10.1080/01614940.2020.1794737}, author = {Bhowmik, Susmita and Darbha, Srinivas} } @article {47078, title = {Aggregation-induced phosphorescence of an anthraquinone based emitter}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {FEB }, pages = {1004-1008}, type = {Article}, abstract = {

Room temperature phosphorescence (RTP) of metal-free organic molecules is a hot topic of current research interest. RTP can be enhanced through aggregation, crystallization, and the support of polymers and host-guest assemblies. The characteristics of highly phosphorescent aggregates formed from conventional chromophores make them ideal candidates for many potential applications. In this direction, we focused on the aggregation-induced phosphorescence of an anthraquinone derivative AqC6 in solution and in crystal state. The weakly emissive dilute solution exhibits a tunable emission with enhanced intensity and room temperature phosphorescence by increasing the concentration and solvent-antisolvent combination. The enhanced phosphorescence of crystals has been recreated in the solution by making use of aggregation. Interestingly, the support of PMMA enabled AqC6 to achieve enhanced processability, phosphorescence lifetime (174 ms) and quantum yield (5\%).

}, issn = {1477-0520}, doi = {10.1039/d0ob02505d}, author = {Goudappagouda and Nidhankar, Aakash D. and Nayak, Rashmi A. and Babu, Sukumaran Santhosh} } @article {47581, title = {Antimicrobial and antioxidant potential of a standardized ayurvedic formulation explains its clinical efficacy as gargles in post-radiotherapy oral cancer patients}, journal = {Journal of Herbal Medicine}, volume = {30}, year = {2021}, month = {DEC}, pages = {100510}, type = {Article}, abstract = {Introduction: Exploring the antioxidant and antimicrobial potential of a standardized proprietary poly-herbal powder and evaluating its clinical efficacy as an Ayurvedic gargle (Gandush) for reducing oral microbial load and side effects of radiotherapy in oral cavity cancer patients was the aim of this pilot study. Methods: Formulation (Gandush Churna) comprising Terminalia chebula Retz., Terminalia bellirica (Gaertn.) Roxb., Phyllanthus emblica L. and Curcuma longa L. and its decoction (Gandush Kwath) were standardized. In-vitro antioxidant potential and antimicrobial activity against selective bacterial and fungal strains were studied. Oral cavity cancer patients who had undergone radiotherapy were enrolled. The decoction was prepared by soaking Gandush Churna in water, boiling and reducing by 50 \%; and was used for gargling, twice a day, for 7 days. Total microbial count and identification of microbiota in the oral cavity as well as symptoms graded as per Common Terminology Criteria for Adverse Events, were noted before and after the treatment. Change in microbial load and shift in symptom gradations were analyzed. Results: A monograph with physicochemical, chromatography, safety and stability parameters was developed. The decoction possessed good in-vitro antioxidant and antimicrobial activities. Gargling therapy significantly reduced bacterial load while mildly controlled the fungal infection in oral cavity cancer patients. It significantly reduced the severity of symptoms viz. stomatitis and local pain, with considerably decreased xerostomia and dysphagia. Conclusions: Intervention of gargle therapy using poly-herbal formulation may serve as an effective complementary treatment to improve oral hygiene and reduce side effects of radiotherapy in oral cancer patients.}, keywords = {Anti-microbial, Antioxidant, Gandush, Gargle therapy, Oral cavity cancers, Radiotherapy side effects}, issn = {2210-8033}, doi = {10.1016/j.hermed.2021.100510}, author = {Chavan, Sandeep and Bhuvad, Sushama and Kumbhlakar, Bhagyashri and Auti, Jyoti and Walunj, Tanhaji and Pathak, Shridevi and Tanpure, Rahul and Gujar, Shweta and Shinde, Jagdish and Kulkarni, Arvind and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {47090, title = {Antimicrobial synergy of silver-platinum nanohybrids with antibiotics}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2021}, month = {FEB }, pages = {610968}, type = {Article}, abstract = {

Various bacterial pathogens are responsible for nosocomial infections resulting in critical pathophysiological conditions, mortality, and morbidity. Most of the bacterial infections are associated with biofilm formation, which is resistant to the available antimicrobial drugs. As a result, novel bactericidal agents need to be fabricated, which can effectively combat the biofilm-associated bacterial infections. Herein, for the first time we report the antimicrobial and antibiofilm properties of silver-platinum nanohybrids (AgPtNHs), silver nanoparticles (AgNPs), and platinum nanoparticles (PtNPs) against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus. The AgPtNHs were synthesized by a green route using Dioscorea bulbifera tuber extract at 100 degrees C for 5 h. The AgPtNHs ranged in size from 20 to 80 nm, with an average of similar to 59 nm. AgNPs, PtNPs, and AgPtNHs showed a zeta potential of -14.46, -1.09, and -11.39 mV, respectively. High antimicrobial activity was observed against P. aeruginosa and S. aureus and AgPtNHs exhibited potent antimicrobial synergy in combination with antibiotics such as streptomycin, rifampicin, chloramphenicol, novobiocin, and ampicillin up to variable degrees. Interestingly, AgPtNHs could inhibit bacterial biofilm formation significantly. Hence, co-administration of AgPtNHs and antibiotics may serve as a powerful strategy to treat bacterial infections.

}, keywords = {antibiofilm, antimicrobial synergy, biogenic synthesis, Characterization, silver-platinum nanohybrids}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.610968}, author = {Ranpariya, Bansi and Salunke, Gayatri and Karmakar, Srikanta and Babiya, Kaushik and Sutar, Santosh and Kadoo, Narendra and Kumbhakar, Pathik and Ghosh, Sougata} } @article {47790, title = {Antitumor effects of Ir(III)-2H-indazole complexes for triple negative breast cancer}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {NOV}, pages = {17593-17607}, type = {Article}, abstract = {In this work, we have synthesized a series of novel C,N-cyclometalated 2H-indazole-ruthenium(II) and -iridium(III) complexes with varying substituents (H, CH3, isopropyl, and CF3) in the R4 position of the phenyl ring of the 2H-indazole chelating ligand. All of the complexes were characterized by 1H, 13C, high-resolution mass spectrometry, and elemental analysis. The methyl-substituted 2H-indazole-Ir(III) complex was further characterized by single-crystal X-ray analysis. The cytotoxic activity of new ruthenium(II) and iridium(III) compounds has been evaluated in a panel of triple negative breast cancer (TNBC) cell lines (MDA-MB-231 and MDA-MB-468) and colon cancer cell line HCT-116 to investigate their structure{\textendash}activity relationships. Most of these new complexes have shown appreciable activity, comparable to or significantly better than that of cisplatin in TNBC cell lines. R4 substitution of the phenyl ring of the 2H-indazole ligand with methyl and isopropyl substituents showed increased potency in ruthenium(II) and iridium(III) complexes compared to that of their parent compounds in all cell lines. These novel transition metal-based complexes exhibited high specificity toward cancer cells by inducing alterations in the metabolism and proliferation of cancer cells. In general, iridium complexes are more active than the corresponding ruthenium complexes. The new Ir(III)-2H-indazole complex with an isopropyl substituent induced mitochondrial damage by generating large amounts of reactive oxygen species (ROS), which triggered mitochondrion-mediated apoptosis in TNBC cell line MDA-MB-468. Moreover, this complex also induced G2/M phase cell cycle arrest and inhibited cellular migration of TNBC cells. Our findings reveal the key roles of the novel C{\textendash}N-cyclometalated 2H-indazole-Ir(III) complex to specifically induce toxicity in cancer cell lines through contributing effects of ROS-induced mitochondrial disruption along with chromosomal and mitochondrial DNA target inhibition.}, doi = {10.1021/acs.inorgchem.1c02193}, url = {https://doi.org/10.1021/acs.inorgchem.1c02193}, author = {Panchangam, Rajeeva Lochana and Rao, Ramdas Nishanth and Balamurali, Musuvathi Motilal and Hingamire, Tejashri B. and Shanmugam, Dhanasekaran and Manickam, Venkatraman and Chanda, Kaushik} } @article {47114, title = {Bioglycerol (C3) upgrading to 2,3-butanediol (C4) by cell-free extracts of Enterobacter aerogenes NCIM 2695}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {96}, year = {2021}, month = {MAY}, pages = {1316-1325}, type = {Article}, abstract = {

BACKGROUND Production of biobased chemicals from renewable resources is a green starring approach that serves as a substitute to petroleum derivatives. Bioglycerol, with its growing production as a co-product of biodiesel, is an attractive low-cost feedstock for the synthesis of platform chemicals by microbial fermentation. 2,3-butanediol (2,3-BDO) is amongst the top biorefinery platform chemicals that can be produced by glycerol fermentation. RESULTS The {\textquoteleft}Circular Economy{\textquoteright} concept is demonstrated by converting the by-product bioglycerol using a cell-free extract of Enterobacter aerogenes NCIM 2695 (National Collection of Industrial Microorganisms, NCIM), yielding 22 g L-1 2,3-BDO, in 96 h, 98\% atom economy and 0.4 g/g E factor. The cell-free bioglycerol conversion to 2,3-BDO was proved using a modified procedure for determining glycerol dehydrogenase enzyme assay by protein analysis and it was also shown to be cell-bounded. CONCLUSION Our study offers an effective utilization of the leftover material (i.e. cell-free extract) that biocatalysed C3 to C4 diol, which adds value to the overall economics of the process using only crude glycerol (C3) itself as a fermentative medium.

}, keywords = {2, 3-Butanediol, atom economy, circular economy, E factor, Glycerol, glycerol dehydrogenase}, issn = {0268-2575}, doi = {10.1002/jctb.6650, Early Access Date = JAN 2021}, author = {Parate, Roopa and Borgave, Mrunal and Dharne, Mahesh and Rode, Chandrashekhar} } @article {47745, title = {Biological synthesis of alpha-Ag2S composite nanoparticles using the fungus Humicola sp. and its biomedical applications}, journal = {Journal of Drug Delivery Science and Technology}, volume = {66}, year = {2021}, month = {DEC}, pages = {102770}, type = {Article}, abstract = {Synthesis of alpha-Ag2S (silver sulfide) is a highly challenging task, usually attempted using synthetic, hazardous chemical processes. This report puts efforts to exploring microbial-based eco-friendly alternatives. A facile, onepot biological method for the synthesis of alpha-Ag2S composite nanoparticles (NPs) in an aqueous medium at ambient conditions was established. As prepared alpha-Ag2S composite NPs were efficiently produced from precursors silver nitrate and sodium sulfite. The extracellular biomolecules produced by Humicola sp. reduced the precursor solution and at the same time it capped the formed Ag2S NPs. The characterization performed by different techniques revealed excellent optical, morphological, and structural properties (size, shape distribution, and crystallinity) of the alpha-Ag2S NPs. The change in color from colorless to dark brown indicated the formation of alpha-Ag2S, which was further confirmed by fluorescence and UV-Visible spectroscopy, showing a sharp peak at 410 nm. Morphological analysis of alpha-Ag2S NPs confirmed the spherical shape, and narrow size distribution. alpha-Ag2S NPs were found to be potent in antimicrobial applications owing to their high dispersibility in water and capping by extracellular biomolecules secreted by Humicola sp. The anti-cancer activity for alpha-Ag2S performed using human breast cancer cell line (ZR-75-1) and human Burkitt{\textquoteright}s lymphoma cancer (Daudi). The biocompatibility test was performed using human peripheral blood mononuclear cells (PBMCs) for alpha-Ag2S NPs. The anti-leishmania activity was also determined for alpha Ag2S NPs in-vitro using the standard anti-promastigote protocol (Leishmania donovani promastigotes). This extracellular system is an economically and environmentally benign route for the biosynthesis of alpha-Ag2S NPs having desired surface, structure and biomedical properties.}, keywords = {Cytotoxicity, Fungus, Hemolysis, Humicolasp, Silver sulfide(alpha-Ag2S)}, issn = {1773-2247}, doi = {10.1016/j.jddst.2021.102770}, author = {Syed, Asad and Saedi, Marzouq Hussain Al and Bahkali, Ali H. and Elgorban, Abdallah M. and Kharat, Maheshkumar and Pai, Kalpana and Ghodake, Gajanan and Ahmad, Absar} } @article {47633, title = {Bismuth(iii)-catalyzed bis-cyclization of propargylic diol-esters: a unified approach for the synthesis of [5,5]- and [6,5]-oxaspirolactones}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {AUG }, pages = {6618-6622}, type = {Article}, abstract = {Herein we disclose an unprecedented intramolecular cascade strategy for the construction of alpha,beta-unsaturated [5,5]- and [6,5]-oxaspirolactones that capitalizes on the pi-electrophilic Lewis acid-catalyzed 5-exo-dig or 6-exo-dig mode of cyclization of propargylic diol esters, followed by dehydration and spirolactonization steps. Moreover, semi-protected substrates also delivered the respective oxaspirolactones with the same ease and in appreciable yields under optimal reaction conditions.}, issn = {1477-0520}, doi = {10.1039/d1ob00974e}, author = {Kambale, Digambar A. and Borade, Balasaheb R. and Kontham, Ravindar} } @article {47582, title = {Catalytic applications of hydrotalcite and related materials in multi -component reactions: concepts, challenges and future scope}, journal = {Sustainable Chemistry and Pharmacy}, volume = {22}, year = {2021}, month = {SEP}, pages = {100458}, type = {Article}, abstract = {Hydrotalcites (HTs) are the potential substitute to conventional base catalysts. HTs are useful in efficient syntheses of various heterocycles, such as chromenes, pyrans, pyrazoles, triazoles, using multi-component reactions. This review focuses on the chemistry of HTs and particularly hydrotalcites and related materials in the synthesis of heterocycles. The effects of preparation method and, physico-chemical parameters, such as calcination, molar ratio of metals, role of intercalated ions, surface area, on the catalytic activities are discussed. Along with technical aspects, this review also unlocks various untouched areas in developing sustainable catalyst for syntheses of heterocycles, drugs, etc. for the future.}, keywords = {green chemistry, green synthesis, heterocycles, heterogeneous catalysis, hydrotalcite, Metal Oxide}, doi = {10.1016/j.scp.2021.100458}, author = {Burange, Anand S. and Gopinath, Chinnakonda S.} } @article {47045, title = {Chemistry, anti-diabetic activity and structural analysis of substituted dihydropyrimidine analogues}, journal = {Journal of Molecular Structure}, volume = {1227}, year = {2021}, month = {MAR }, pages = {129412}, type = {Article}, abstract = {

In an effort to identify an anti-diabetic agent, a series of methyl/ethyl 4-(hydroxyphenyl)-6-methyl-2-oxo/thioxo-1,2,3,4 tetrahydropyrimidine-5-carboxylate analogues (4a-h) have been synthesized, purified, and characterized by using Fourier-Transform Infrared Spectroscopy (FT-IR) and NMR (H-1 and C-13). The synthesized compounds were screened for anti-hyperglycemic activity using Streptozotocin (STZ) induced diabetic rat model. The anti-hyperglycemic activity of dihydropyrimidine (DHPM) compound is mainly analyzed with the variation of substituents present on the phenyl ring and urea/thiourea group on pharmacophoric features. Further, the crystal structure and supramolecular characteristics of two compounds 4c and 4f were analyzed through a single-crystal X-ray method and the Hirshfeld Surface Analysis, which shows hydrogen bonding through N-H center dot center dot center dot O and N-H center dot center dot center dot S interactions with the formation of ring motif in the crystal structure. It is interesting to note that among the title compounds, the 4a, 4e, 4f, and 4g significantly displayed a better hypoglycemic effect in vivo rat model study. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Dihydropyrimidine (DHPM), Hypoglycemia, Streptozotocin (STZ), Type-2 diabetes mellitus (T2DM)}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2020.129412}, author = {Bairagi, Keshab M. and Younis, Nancy Safwat and Emeka, Promise Madu and Venugopala, Katharigatta N. and Alwassil, I, Osama and Khalil, Hany Ezzat and Sangtani, Ekta and Gonnade, Rajesh G. and Mohanlall, Viresh and Nayak, Susanta K.} } @article {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 {47598, title = {Co-decorated tellurium nanotubes for energy storage applications}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP}, pages = {9008-9021}, type = {Article}, abstract = {This paper explicitly discusses the synthesis of Co-decorated Te nanotubes (NTs) using Te NTs as the sacrificial template and the evaluation of their electrochemical performance. First, one-dimensional (1D) Te NTs were synthesized and characterized by spectroscopic and microscopic tools such as UV-visible spectroscopy, X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray spectroscopy analyses. The as-prepared hexagonal Te NTs (h-Te NTs) possess diameters of about 35 +/- 5 nm and lengths of about 500 +/- 50 nm and were used for the synthesis of Co-decorated Te NTs. The 1D nanostructure with excellent conductivity enables the material to show excellent electrochemical performance. The asymmetric assembly of the CoTe-2//AC electrode material displayed a high specific capacitance of 147 F g(-1) (specific capacity, 162 C g(-1) at a current density of 2 A g(-1) in 4 M KOH electrolyte. In addition to that, the assembly of CoTe-2//AC achieved an excellent energy density of 51.1 W h kg(-1) at a power density of 2294 W kg(-1) and confirmed the as-synthesized Co-decorated Te NTs to be an excellent electrode material.}, keywords = {cobalt, nanotubes, pseudocapacitors, surfactant, Tellurium, template}, doi = {10.1021/acsanm.1c01613}, author = {Bhol, Prangya and Swain, Swarnalata and Jena, Satyaranjan and Bhatte, Kushal and Rout, Chandra Sekhar and Saxena, Manav and Jadhav, Arvind H. and Samal, Akshaya K.} } @article {47712, title = {Colchicine induces tetraploids in in vitro cultures of digitalis lanata Ehrh.: enhanced production of biomass and cardiac glycosides}, journal = {Industrial Crops and Products}, volume = {174}, year = {2021}, month = {DEC}, pages = {114167}, type = {Article}, abstract = {This study describes a promising method for tetraploidy induction in the in vitro grown diploid shoots of the cardiotonic herb Digitalis lanata by colchicine treatment to obtain a higher content of the cardiac glycosides{\textquoteright} digoxin and digitoxin. The best frequency of tetraploids (33 \%) induction was observed with 0.5 \% colchicine treatment for 8 h. The content of digoxin and digitoxin in the tetraploids increased by 1.61-fold and 1.73-fold over the control diploids respectively. The higher cardiotonic glycoside production in the tetraploid plants of D. lanata have the potential to satisfy the increasing demand of superior plant material for pharmaceutical industries.}, keywords = {Cardiac glycosides, Colchicine induced polyploidy, Digitalis lanata, Digitoxin, Digoxin}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2021.114167}, author = {Bhusare, B. P. and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {47387, title = {Colloidal assembly by directional ice templating}, journal = {Soft Matter }, volume = {17}, year = {2021}, month = {APR }, pages = {4098-4108}, type = {Article}, abstract = {

We investigate directional ice templating of dilute aqueous colloidal particle dispersions and examine the nature of the assemblies that result. We coat micron-size polystyrene colloids with cross-linkable polymer (polyethyleneimine, PEI), add cross-linker, and subject this dispersion to unidirectional freezing. We work at sufficiently low colloid concentrations, such that the particles do not percolate on freezing. When the aqueous dispersion freezes, ice crystals force polymer-coated particles and cross-linker into close proximity. This results in the formation of cross-linked clusters of particles at ice crystal boundaries. We vary the particle volume fraction from phi similar to 2.5 x 10(-3) to phi similar to 5.0 x 10(-2) and observe that there is a transition from isolated single particles to increasingly large sized clusters. Most of the clusters formed under these conditions are either linear, two-particle wide chains, or sheet-like aggregates. The probability (P-n) of clusters containing n particles (n \> 2) obeys a power law P-n similar to n(-eta), where eta strongly depends on the particle concentration in the dispersion, varying from 2.10 (for phi similar to 5.0 x 10(-2)) to 3.03 (for phi similar to 2.5 x 10(-3)). This change in eta is qualitatively different from the case of isotropic freezing, where eta is particle concentration-independent and depends only on the ice nucleation density. To understand the differences between isotropic and directional ice templating, we performed lattice simulations of a highly simplified model, where ice crystals grow at a constant rate to force clustering. We ignore hydrodynamic interactions and ice growth instabilities. Despite ignoring these experimental details, the simulations capture the experimental results, nearly quantitatively. As the ice crystals grow and the space available to the colloids {\textquoteleft}{\textquoteleft}closes up{\textquoteright}{\textquoteright} so that the particles cluster to form aggregates, crystallization protocol-induced differences in the geometry of these {\textquoteleft}{\textquoteleft}closed up{\textquoteright}{\textquoteright} spaces determine the scaling behaviour of P-n.

}, issn = {1744-683X}, doi = {10.1039/d0sm02057e}, author = {Biswas, Bipul and Misra, Mayank and Bisht, Anil Singh and Kumar, Sanat K. and Kumaraswamy, Guruswamy} } @article {47444, title = {Combating multi-drug resistant malaria parasite by inhibiting falcipain-2 and heme-polymerization: Artemisinin-peptidyl vinyl phosphonate hybrid molecules as new antimalarials}, journal = {European Journal of Medicinal Chemistry}, volume = {220}, year = {2021}, month = {AUG}, pages = {113454}, type = {Article}, abstract = {

Artemisinin-based combination therapies (ACTs) have been able to reduce the clinical and pathological malaria cases in endemic areas around the globe. However, recent reports have shown a progressive decline in malaria parasite clearance in South-east Asia after ACT treatment, thus envisaging a need for new artemisinin (ART) derivatives and combinations. To address the emergence of drug resistance to current antimalarials, here we report the synthesis of artemisinin-peptidyl vinyl phosphonate hybrid molecules that show superior efficacy than artemisinin alone against chloroquine-resistant as well as multidrug-resistant Plasmodium falciparum strains with EC50\ in pico-molar ranges. Further, the compounds effectively inhibited the survival of ring-stage parasite for laboratory-adapted artemisinin-resistant parasite lines as compared to artemisinin. These hybrid molecules showed complete parasite clearance in vivo using P. berghei mouse malaria model in comparison to artemisinin alone. Studies on the mode of action of hybrid molecules suggested that these artemisinin-peptidyl vinyl phosphonate hybrid molecules possessed dual activities: inhibited falcipain-2 (FP-2) activity, a P. falciparum cysteine protease involved in hemoglobin degradation, and also blocked the hemozoin formation in the food-vacuole, a step earlier shown to be blocked by artemisinin. Since these hybrid molecules blocked multiple steps of a pathway and showed synergistic efficacies, we believe that these lead compounds can be developed as effective antimalarials to prevent the spread of resistance to current antimalarials.

}, doi = {10.1016/j.ejmech.2021.113454}, author = {Aratikatla, Eswar K. and Kalamuddin, Md and Rana, Kalpeshkumar C. and Datta, Gaurav and Asad, Mohd and Sundararaman, Srividhya and Malhotra, Pawan and Mohmmed, Asif and Bhattacharya, Asish K.} } @article {47772, title = {Comprehensive tutorial on the pulsed laser deposition technique and developments in the fabrication of low dimensional systems and nanostructures}, journal = {Emergent Materials}, volume = {4}, year = {2021}, month = {JAN}, pages = {737{\textendash}754}, type = {Article}, abstract = {Pulsed laser deposition (PLD) is a simple and extremely versatile technique to grow thin films and nanomaterials of a wide variety of materials. PLD allows the deposition of profoundly different materials, including high-temperature superconductors, oxides, nitrides, carbides, semiconductors, metals, and even polymers or fullerenes with high deposition rates. Growing thin films using PLD is now being used around the world for prototyping thin films of many inorganic materials and even in device fabrication protocols. This article covers the detailed development, versatility, and reliability of the ultraviolet (UV) excimer laser. It is envisioned that this review article is of interest for both the materials and chemical scientists engaged in more fundamental aspects of pulsed laser ablation and deposition. The present article highlights the historical developments of PLD technique, complete mechanism of thin film fabrication, optimization of the quality of thin films and the fabrication of thin films of the materials like ZnO, Graphene, MoS2, and WS2 which are being explored for various potential applications.}, doi = {10.1007/s42247-020-00155-5}, author = {Masood, Khalid Bin and Kumar, Pushpendra and Malik, Mushtaq Ahmad and Singh, Jai} } @article {47043, title = {Connecting real glasses to mean-field models}, journal = {Journal of Chemical Physics}, volume = {154}, year = {2021}, month = {MAR}, pages = {094506}, type = {Article}, abstract = {

We propose a novel model for a glass-forming liquid, which allows us to switch in a continuous manner from a standard three-dimensional liquid to a fully connected mean-field model. This is achieved by introducing k additional particle-particle interactions, which thus augments the effective number of neighbors of each particle. Our computer simulations of this system show that the structure of the liquid does not change with the introduction of these pseudo-neighbors and by means of analytical calculations, and we determine the structural properties related to these additional neighbors. We show that the relaxation dynamics of the system slows down very quickly with the increase in k and that the onset and the mode-coupling temperatures increase. The systems with high values of k follow the mode-coupling theory power law behavior for a larger temperature range compared to the ones with lower values of k. The dynamic susceptibility indicates that the dynamic heterogeneity decreases with the increase in k, whereas the non-Gaussian parameter is independent of it. Thus, we conclude that with the increase in the number of pseudo-neighbors, the system becomes more mean-field-like. By comparing our results with previous studies on mean-field-like systems, we come to the conclusion that the details of how the mean-field limit is approached are important since they can lead to different dynamical behavior in this limit.

}, issn = {0021-9606}, doi = {10.1063/5.0038749}, author = {Nandi, Ujjwal Kumar and Kob, Walter and Bhattacharyya, Sarika Maitra} } @article {47500, title = {Conserved RNA binding activity of phosphatidyl inositol 5-phosphate 4-kinase (PIP4K2A)}, journal = {Frontiers in Molecular Biosciences}, volume = {8}, year = {2021}, month = {MAY}, pages = {631281}, type = {Article}, abstract = {Plasmodium falciparum is a causative agent for malaria and has a complex life cycle in human and mosquito hosts. During its life cycle, the malarial parasite Plasmodium goes through different asexual and sexual stages, in humans and mosquitoes. Expression of stage-specific proteins is important for successful completion of its life cycle and requires tight gene regulation. In the case of Plasmodium, due to relative paucity of the transcription factors, it is postulated that posttranscriptional regulation plays an important role in stage-specific gene expression. Translation repression of specific set of mRNA has been reported in gametocyte stages of the parasite. A conserved element present in the 3 {\textquoteleft} UTR of some of these transcripts was identified. Phosphatidylinositol 5-phosphate 4-kinase (PIP4K2A) was identified as the protein that associates with these RNA. We now show that the RNA binding activity of PIP4K2A is independent of its kinase activity. We also observe that PIP4K2A is imported into the parasite from the host on Plasmodium berghei and Toxoplasma gondii. The RNA binding activity of PIP4K2A seems to be conserved across species from Drosophila and C. elegans to humans, suggesting that the RNA binding activity of PIP4K may be important, and there may be host transcripts that may be regulated by PIP4K2A. These results identify a novel RNA binding role for PIP4K2A that may not only play a role in Plasmodium propagation but may also function in regulating gene expression in multicellular organisms.}, keywords = {malaria, posttranscriptional gene regulation, RNA-protein interaction, translation regulation}, doi = {10.3389/fmolb.2021.631281}, author = {Behari, Jatin and Borkar, Pranita and Vindu, Arya and Dandewad, Vishal and Upadrasta, Sindhuri and Shanmugam, Dhanasekaran and Seshadri, Vasudevan} } @article {47715, title = {Construction of IrO2@Mn3O4 core-shell heterostructured nanocomposites for high performance symmetric supercapacitor device}, journal = {Journal of Alloys and Compounds}, volume = {887}, year = {2021}, month = {DEC }, pages = {161328}, type = {Article}, abstract = {In the present work, we have designed and synthesized nanocomposite of IrO2@Mn3O4 with two-step simple and scalable chemical routes. In this route, nanofibers of IrO2 were synthesized by a single nozzle electrospinning technique onto which Mn3O4 was overlaid by a simple SILAR route. The ratio of Mn3O4 and IrO2 was varied by varying the SILAR cycles onto electrospun IrO2 thin film as 20, 40, 60, and 80 cycles. The structural, morphological, and energy storage performance of IrO2@Mn3O4 composite elec-trodes were investigated. A 2 V kinetic potential with a rectangular-shaped cyclic voltammogram was observed for the IrO2@Mn3O4 electrodes. Moreover, the specific capacitance of 1027 F/g at 1 mA/cm(2) was observed for the optimized electrode which is superior as compared with other electrodes. The opti-mized electrode showed better current and voltage than the individual compounds which might be due to the synergic effect of IrO2 and Mn3O4. Finally, a PVA-LiClO4 gel electrolyte-based solid-state IrO2@ Mn3O4//IrO2@Mn3O4 symmetric device was fabricated. The symmetric device possessed an energy density of 81 Wh/kg with a power delivery of 714 W/kg which was capable to light up a green LED. Hence, the 2D transition metal oxides laminated on 1D metal oxides with high conductivity can be promising electrodes for future research. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {And nanoflakes, Charge storage kinetics, Electrochemical properties, electrospinning, IrO2@Mn3O4 nanocomposite, nanofibers, SILAR}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161328}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Shin, J. C. and Patil, P. S.} } @article {47631, title = {Construction of two-component chemically reactive supramolecular assemblies-acyl migration reactions in cocrystals of napthalene-2,3-diol and its diesters}, journal = {ChemPlusChem}, volume = {86}, year = {2021}, month = {AUG}, pages = {1128-1134}, type = {Article}, abstract = {Reactions in solids are of contemporary interest due to applications in pharmaceutical industries to environmental sustainability. Although several reactive crystals that support chemical reactions have been identified and characterized, the same cannot be said about reactive cocrystals. Earlier we correlated the facile acyl group transfer reactions in crystals with supramolecular parameters obtained from the crystal structures. The structure-reactivity correlation revealed the requirement of proper juxtaposition of electrophile (C=O) and the nucleophile (OH) with distance (similar to 3.2 angstrom) and angle (similar to 90 degrees) along the chain structure. The current article describes the preparation of cocrystals that are capable of supporting intermolecular acyl group transfer reactions in a group of structurally similar molecules. The cocrystals of naphthalene 2,3-diol and its corresponding diesters showed a facile solid state acyl transfer reaction, which has been well correlated with their crystal structures.}, keywords = {Acylation, domino reactions, intermolecular interactions, reaction in cocrystal, solid-state reactions, X-ray diffraction}, issn = {2192-6506}, doi = {10.1002/cplu.202100139}, author = {Bahadur, Vir and Gonnade, Rajesh G. and Tamboli, I. Majid and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article {47739, title = {Continuous citrate-capped gold nanoparticle synthesis in a two-phase flow reactor}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {SEP}, pages = {553-567}, type = {Article}, abstract = {A continuous manufacturing platform was developed for the synthesis of aqueous colloidal 10-20 nm gold nanoparticles (Au NPs) in a flow reactor using chloroauric acid, sodium citrate and citric acid at 95 degrees C and 2.3 bar(a) pressure. The use of a twophase flow system - using heptane as the continuous phase - prevented fouling on the reactor walls, while improving the residence time distribution. Continuous syntheses for up to 2 h demonstrated its potential application for continuous manufacturing, while live quality control was established using online UV-Vis photospectrometry that monitored the particle size and process yield. The synthesis was stable and reproducible over time for gold precursor concentration above 0.23 mM (after mixing), resulting in average particle size between 12 and 15 nm. A hydrophobic membrane separator provided successful separation of the aqueous and organic phases and collection of colloidal Au NPs in flow. Process yield increased at higher inlet flow rates (from 70\% to almost 100 \%), due to lower residence time of the colloidal solution in the separator resulting in less fouling in the PTFE membrane. This study addresses the challenges for the translation of the synthesis from batch to flow and provides tools for the development of a continuous manufacturing platform for gold nanoparticles.}, keywords = {Continuous manufacturing, Nanomaterials, Online analysis, phase separation, segmented flow}, issn = {2062-249X}, doi = {10.1007/s41981-021-00172-3}, author = {Damilos, Spyridon and Alissandratos, Ioannis and Panariello, Luca and Radhakrishnan, Anand N. P. and Cao, Enhong and Wu, Gaowei and Besenhard, Maximilian O. and Kulkarni, Amol A. and Makatsoris, Charalampos and Gavriilidis, Asterios} } @article {46603, title = {Controlling draw resonance during extrusion film casting of nanoclay filled linear low-density polyethylene: an experimental study and numerical linear stability analysis}, journal = {Journal of Plastic Film \& Sheeting}, volume = {37}, year = {2021}, month = {JUL}, pages = {8756087920978443}, type = {Article}, abstract = {

Commercially important extrusion film casting (EFC) processes for manufacturing plastic films or sheets are hampered by several instabilities that severely limits their productivity. In this research we focussed on one important instability: the draw resonance that occurs during the EFC process mainly under extensional flow conditions. Draw resonance is the sustained periodic oscillations in the film dimensions, notably film width and thickness, when the process operates beyond a critical draw ratio (CDR). In this research our goal was to reduce this draw resonance instability by incorporating well dispersed nanoclay fillers in a base polymeric resin (such as a linear low density polyethylene - LLDPE) to determine how these nanocomposite (NC) formulations can prevent or reduce the draw resonance defect. EFC experiments were conducted on the base resin and on the NC formulations under non-isothermal conditions to determine the onset of the draw resonance experimentally. Conventional linear stability analysis was performed to determine the onset of the draw resonance defect numerically. Numerical predictions for the onset of draw resonance were in qualitative agreement with our experimental data. Our results showed that incorporating appropriate nanoclay concentrations in a base polymeric resin indeed enhanced the EFC process stability for those polymer formulations and thus can have important economic implications for processors.

}, keywords = {Draw resonance, extensional strain hardening, Extrusion, Film, hydrodynamic interactions, Nanoclay, Nanocomposites, Polyethylene, Rheology, stability}, issn = {8756-0879}, doi = {10.1177/8756087920978443}, author = {Rokade, Dhammaraj and Chougale, Sanket and Patil, Prashant and Bhattacharjee, Tanushree and Gawande, Dnyaneshwar and Pol, Harshawardhan and Dhadwal, Renu} } @article {47356, title = {Convenient semihydrogenation of azoarenes to hydrazoarenes using H-2}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {JUN}, type = {Article}, abstract = {

The high atom-economical and eco-benign nature of hydrogenation reactions make them much more superior to conventional reduction and transfer hydrogenation. Herein, a convenient and highly selective hydrogenation reaction of azoarenes using molecular hydrogen to access diverse hydrazoarenes is reported. The present catalytic method is general and operationally simple, and it operates under exceedingly mild conditions (room temperature and 1 atm of hydrogen pressure). The reusability of catalysts used in this method is also successfully demonstrated.

}, issn = {1477-0520}, doi = {10.1039/d1ob00850a, Early Access Date = MAY 2021}, author = {Sahoo, Manoj K. and Sivakumar, Ganesan and Jadhav, Sanjay and Shaikh, Samrin and Balaraman, Ekambaram} } @article {47385, title = {Crack-free conjugated PbS quantum dot-hole transport layers for solar cells}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4016-4025}, type = {Article}, abstract = {

Colloidal quantum dots (QDs) benefit from solution-phase processing and band-gap tuning for their application in solar cell development. Today{\textquoteright}s QD solar cells rely on solid-state ligand exchange (SLE) to replace bulky oleic acid (OA) ligands with small 1,2-ethanedithiol (EDT) ligands to develop a conducting hole transport layer (HTL). High volume contraction in EDT conjugated QD films, however, leads to crack and porosity in the HTL, which is a major cause of concern for the device reproducibility and large-area solar cell development. We show that partial removal of the OA ligands in the solution phase reduces the volume contraction in solid films, thereby allowing the growth of crack-free QD films in the SLE process. The cleaning of QDs by repeated precipitation and redispersion using a protic methanol (MeOH) solvent helps with partial removal of the OA ligands, but it is detrimental to the electronic properties of QDs. We develop a one-step solution-phase partial ligand-exchange process using ammonium salts, which enable partial replacement of the OA ligands and passivation of the QD surface. Introduction of the facile partial ligand-exchange process eliminates the need for tedious and wasteful multiple cleaning steps with MeOH, while improving the photophysical properties of QDs. The advancement in QD processing helps to build crack-free, smooth, and conjugated QD films for their deployment as HTLs in solar cell development. Partial ligand exchange with NH4SCN leads to a 1.5 times increase in p doping and mobility over multiple MeOH-cleaned PbS QD films. HTLs developed using NH4SCN QDs show an improved photovoltaic performance to attain a 10.5\% power conversion efficiency. Improvement in the depletion width and hole collection efficiency leads to a superior photovoltaic performance, as confirmed from experimental studies and one-dimensional solar cell capacitance simulation.

}, keywords = {Efficiency, ligand, polydispersity, quantum dot, solar cells, thin film}, issn = {2574-0970}, doi = {10.1021/acsanm.1c00373}, author = {Sharma, Ashish and Dambhare, V. Neha and Bera, Jayanta and Sahu, Satyajit and Rath, Arup K.} } @article {47421, title = {Curious case of aqueous warfarin: structural isomers or distinct excited states?}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {MAR}, pages = {2871-2878}, type = {Article}, abstract = {

Warfarin is a potent anti-coagulant drug and is on the World Health Organization{\textquoteright}s List of Essential Medicines. Additionally, it displays fluorescence enhancement upon binding to human serum albumin, making warfarin a prototype fluorescent probe in biology. Despite its biological significance, the current structural assignment of warfarin in aqueous solution is based on indirect evidence in organic solvents. Warfarin is known to exist in different isomeric forms-open-chain, hemiketal, and anionic forms-based on the solvent and pH. Moreover, warfarin displays a dual absorption feature in several solvents, which has been employed to study the ring-chain isomerism between its open-chain and hemiketal isomers. In this study, our pH-dependent experiments on warfarin and structurally constrained warfarin derivatives in aqueous solution demonstrate that the structural assignment of warfarin solely on the basis of its absorption spectrum is erroneous. Using a combination of steady-state and time-resolved spectroscopic experiments, along with quantum chemical calculations, we assign the observed dual absorption to two distinct pi -\>pi* transitions in the 4-hydroxycoumarin moiety of warfarin. Furthermore, we unambiguously identify the isomeric form of warfarin that binds to human serum albumin in aqueous buffer.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c10824}, author = {Sakpal, Sushil S. and Ghosh, Deborin and Manae, Meghna A. and Hazra, Anirban and Bagchi, Sayan} } @article {47741, title = {Density functional theory-based study of the magnetic and optical properties of PbMO3 (M = Cr, Fe) using the modified BeckeJohnson mBJ functional (vol 128, pg 275, 2019)}, journal = {Journal of Physics and Chemistry of Solids}, volume = {158}, year = {2021}, month = {NOV}, pages = {110225}, type = {Correction}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2021.110225}, author = {Mahmood, Q. and Hassan, M. and Bhamu, K. C. and Yaseen, M. and Ramay, S. M. and Mahmood, A.} } @article {47644, title = {Deoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {OCT }, pages = {10596-10599}, type = {Article}, abstract = {In contrast to the recent reports on catalytic hydroboration of amides to amines with pinacolborane (HBpin), a simple catalyst-free and solvent-free method for the hydroboration of a variety of amides has been realized. To get the mechanistic insights, DFT calculations have been performed.}, issn = {1359-7345}, doi = {10.1039/d1cc04148g}, author = {Kumar, Rohit and Bisai, Milan Kumar and Jain, Shailja and Vanka, Kumar and Sen, Sakya S.} } @article {47087, title = {Design and synthesis of a new topical agent for halting blood loss rapidly: a multimodal chitosan-gelatin xerogel composite loaded with silica nanoparticles and calcium}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {198}, year = {2021}, month = {FEB}, pages = {111454}, type = {Article}, abstract = {

Uncontrolled hemorrhage often causes death during traumatic injuries and halting exsanguination topically is a challenge. Here, an efficient multimodal topical hemostat was developed by (i) ionically crosslinking chitosan and gelatin with sodium tripolyphosphate for (ii) fabricating a robust, highly porous xerogel by lyophilization having 86.7 \% porosity, by micro-CT and large pores similar to 30 mu m by SEM (iii) incorporating 0.5 mg synthesized silica nanoparticles (SiNPs, 120 nm size, -22 mV charge) and 2.5 mM calcium in xemgel composite that was confirmed by FTIR analysis with peaks at 3372, 986 and 788 cm(-1), respectively. XPS analysis displayed the presence of SiNPs (Si2p peak for silicon) and calcium (Ca2p1, Ca2p3 transition peaks) in the composite. Interestingly, in silico percolation simulation for composite revealed interlinked 800 mu m long-conduits predicting excellent absorption capacity and validated experimentally (640 \% of composite dry weight). The composite achieved \>16-fold improved blood clotting in vitro than commercial Celox and Gauze through multimodal interaction of its components with RBCs and platelets. The composite displayed good platelet activation and thrombin generation activities. It displayed high compressive strength (2.45 MPa) and withstood pressure during application. Moreover, xerogel composite showed high biocompatibility. In vivo application of xerogel composite to lethal femoral artery injury in rats achieved hemostasis (2.5 min) significantly faster than commercial Celox (3.3 min) and Gauze (4.6 min) and was easily removed from the wound. The gamma irradiated composite was stable till 1.5 yr. Therefore, the xerogel composite has potential for application as a rapid topical hemostatic agent.

}, keywords = {Hemostatic, Polymer, silica nanoparticles, Xerogel}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2020.111454}, author = {Patil, Gokul and Torris, Arun and Suresha, P. R. and Jadhav, Sachin and Badiger, V. Manohar and Ghormade, Vandana} } @article {47457, title = {Design, synthesis, and structural analysis of cladosporin-based inhibitors of malaria parasites}, journal = {ACS Infectious Diseases}, volume = {7}, year = {2021}, month = {JUL}, pages = {1777{\textendash}1794}, type = {Article}, abstract = {

Here we have described a systematic structure activity relationship (SAR) of a set of compounds inspired from cladosporin, a tool compound that targets parasite (Plasmodium falciparum) lysyl tRNA synthetase (KRS). Four sets of analogues, synthesized based on point changes in the chemical scaffold of cladosporin and other logical modifications and hybridizations, were assessed using high throughput enzymatic and parasitic assays along with\ in vitro\ pharmacokinetics. Co-crystallization of the most potent compound in our series (CL-2) with\ PfKRS revealed its structural basis of enzymatic binding and potency. Further, we report that\ CL-2\ has performed better than cladosporin in terms of metabolic stability. It thus represents a new lead for further optimization toward the development of antimalarial drugs. Collectively, along with a lead compound, the series offers insights on how even the slightest chemical modification might play an important role in enhancing or decreasing the potency of a chemical scaffold.

}, doi = {10.1021/acsinfecdis.1c00092}, author = {Babbar, Palak and Das, Pronay and Manickam, Yogavel and Mankad, Yash and Yadav, Swati and Parvez, Suhel and Sharma, Amit and Reddy, Srinivasa} } @article {47707, title = {Development of aerial and belowground tubers in potato is governed by photoperiod and epigenetic mechanism}, journal = {Plant Physiology}, volume = {187}, year = {2021}, month = {NOV}, pages = {1071-1086}, type = {Article}, abstract = {Plants exhibit diverse developmental plasticity and modulate growth responses under various environmental conditions. Potato (Solanum tuberosum), a modified stem and an important food crop, serves as a substantial portion of the world{\textquoteright}s subsistence food supply. In the past two decades, crucial molecular signals have been identified that govern the tuberization (potato development) mechanism. Interestingly, microRNA156 overexpression in potato provided the first evidence for induction of profuse aerial stolons and tubers from axillary meristems under short-day (SD) photoperiod. A similar phenotype was noticed for overexpression of epigenetic modifiers-MUTICOPY SUPRESSOR OF IRA1 (StMSI1) or ENAHNCER OF ZESTE 2 (StE[z]2), and knockdown of B-CELL-SPECIFIC MOLONEY MURINE LEUKEMIA VIRUS INTEGRATION SITE 1 (StBMI1). This striking phenotype represents a classic example of modulation of plant architecture and developmental plasticity. Differentiation of a stolon to a tuber or a shoot under in vitro or in vivo conditions symbolizes another example of organ-level plasticity and dual fate acquisition in potato. Stolon-to-tuber transition is governed by SD photoperiod, mobile RNAs/proteins, phytohormones, a plethora of small RNAs and their targets. Recent studies show that polycomb group proteins control microRNA156, phytohormone metabolism/transport/signaling and key tuberization genes through histone modifications to govern tuber development. Our comparative analysis of differentially expressed genes between the overexpression lines of StMSI1, StBEL5 (BEL1-LIKE transcription factor [TF]), and POTATO HOMEOBOX 15 TF revealed more than 1,000 common genes, indicative of a mutual gene regulatory network potentially involved in the formation of aerial and belowground tubers. In this review, in addition to key tuberization factors, we highlight the role of photoperiod and epigenetic mechanism that regulates the development of aerial and belowground tubers in potato.}, issn = {0032-0889}, doi = {10.1093/plphys/kiab409}, author = {Kondhare, Kirtikumar R. and Kumar, Amit and Patil, Nikita S. and Malankar, Nilam N. and Saha, Kishan and Banerjee, Anjan K.} } @article {47422, title = {Diverse reactivity of carbenes and silylenes towards fluoropyridines}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY }, pages = {4428-4431}, type = {Article}, abstract = {

The reaction of IDipp with C5F5N led to functionalization of all three carbon atoms of the imidazole ring with HF2- as the counter-anion (1). Reactivity with 2,3,5,6-tetrafluoropyridine gives only C-F bond activation leaving C-H bonds intact (5b). The reaction of SIDipp with C5F5N in the presence of BF3 afforded the ring cleavage product (3). Analogous reactions with silylene led to oxidative addition at the Si(II) center.

}, issn = {1359-7345}, doi = {10.1039/d1cc01401c, Early Access Date = MAR 2021}, author = {Kundu, Gargi and Ajithkumar, V. S. and Bisai, Milan Kumar and Tothadi, Srinu and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47086, title = {Diverse reactivity of hypersilylsilylene with boranes and threecomponent reactions with aldehyde and HBpin}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {FEB }, pages = {1654-1663}, type = {Article}, abstract = {

The recently reported hypersilylsilylene PhC-(NtBu)(2)SiSi(SiMe3)(3) (1) reacts with BH3, 9-BBN, and PhBCl2 to yield the respective Lewis acid base adducts 2-4, respectively. Compound 4 undergoes isomerization to form a ring expansion product 5. The same silylene was found to initially form an adduct with HBpin (6) and subsequently isomerized to 7 via the rupture of the B-H bond of HBpin (7), where the hydride was bound to the carbon atom of the amidinate ligand and the Bpin unit was attached to the silicon center. Surprisingly, the reaction of 1 with HBcat results in PhC(NtBu)(2)Bcat (8). Subsequently, we have shown that HBcat forms the same product when it reacts with related silylene PhC(NtBu)(2)SiN(SiMe3)(3) (1{\textquoteright}). With all of these reactions in hand, we ponder if silylene can activate two small molecules at one time. In this work, we delineate the three-component reactions of silylenes 1 and 1{\textquoteright} with 4-fluorobenzaldehyde and HBpin, which afforded unusual coupling products, 9 and 10, respectively. Note that 9 and 10 were prepared from the cleavage of the B-H and C=O bonds by silylene in a single reaction and are the first structurally attested Si-C-O-B coupled products.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c03137}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S.} } @article {47499, title = {Diversity in chemical structures and biological properties of plant alkaloids}, journal = {Molecules}, volume = {26}, year = {2021}, month = {JUN}, pages = {3374}, type = {Review}, abstract = {Phytochemicals belonging to the group of alkaloids are signature specialized metabolites endowed with countless biological activities. Plants are armored with these naturally produced nitrogenous compounds to combat numerous challenging environmental stress conditions. Traditional and modern healthcare systems have harnessed the potential of these organic compounds for the treatment of many ailments. Various chemical entities (functional groups) attached to the central moiety are responsible for their diverse range of biological properties. The development of the characterization of these plant metabolites and the enzymes involved in their biosynthesis is of an utmost priority to deliver enhanced advantages in terms of biological properties and productivity. Further, the incorporation of whole/partial metabolic pathways in the heterologous system and/or the overexpression of biosynthetic steps in homologous systems have both become alternative and lucrative methods over chemical synthesis in recent times. Moreover, in-depth research on alkaloid biosynthetic pathways has revealed numerous chemical modifications that occur during alkaloidal conversions. These chemical reactions involve glycosylation, acylation, reduction, oxidation, and methylation steps, and they are usually responsible for conferring the biological activities possessed by alkaloids. In this review, we aim to discuss the alkaloidal group of plant specialized metabolites and their brief classification covering major categories. We also emphasize the diversity in the basic structures of plant alkaloids arising through enzymatically catalyzed structural modifications in certain plant species, as well as their emerging diverse biological activities. The role of alkaloids in plant defense and their mechanisms of action are also briefly discussed. Moreover, the commercial utilization of plant alkaloids in the marketplace displaying various applications has been enumerated.}, keywords = {alkaloid, Biological activity, classification, defense, Enzyme, modification}, doi = {10.3390/molecules26113374}, author = {Bhambhani, Sweta and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {47066, title = {Durable metalloporphyrin 2D-polymer for photocatalytic hydrogen and oxygen evolution from river and sea waters}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {APR}, pages = {1717-1721}, type = {Article}, abstract = {

It is highly imaginary that the outcome of a combination of two complementary resources leads to answer an alarming global issue. One such possible example is the solar seawater splitting for {\textquoteleft}clean fuel{\textquoteright} H-2 generation. Since the catalytic activity and stability of the photocatalysts are substantially challenged in seawater, the design of an efficient and stable photocatalyst is highly desirable. Herein, we demonstrate the solar seawater splitting by a two-dimensional polymer catalyst derived from metalloporphyrin bearing multi-hydroxyl groups. A bimetallic (Co and Ni) porphyrin 2D-polymer exhibits excellent long-term durability of 15 cycles of H-2 and O-2 generation in 200 days from pure water without a considerable decrease in efficiency. Detailed studies using river and seawaters also show the reliable performance of the catalyst over repeated cycles. Here the deactivation modes of catalytic activity have been nullified by the layered metalloporphyrin polymer structure through stable pi-pi stacking, signifying the molecular design of 2D-polymer photocatalyst.

}, keywords = {2D-polymer, Photocatalyst, porphyrin, Self-assembly, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.202002039, Early Access Date = FEB 2021}, author = {Ranjeesh, Kayaramkodath Chandran and George, Leena and Maibam, Ashakiran and Krishnamurty, Sailaja and Babu, Sukumaran Santhosh} } @article {47388, title = {Easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles via [3+2] annulation}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {MAY}, pages = {4338-4345}, type = {Article}, abstract = {

A highly regioselective [3 + 2] annulation of Morita-Baylis-Hillman (MBH) carbonates of isatin with aurone/thioaurone is developed. Spiroheterocycles such as spirooxindole cyclopentadiene and spirooxindole fused hydroxy cyclopentene derivatives are constructed in one pot by exploring the reactivity of Lewis bases. Combined experimental and density functional theory (DFT) calculations offered an insight into the reaction mechanism.

}, issn = {1477-0520}, doi = {10.1039/d1ob00514f, Early Access Date = APR 2021}, author = {Warghude, Prakash K. and Sabale, Abhijeet S. and Dixit, Ruchi and Vanka, Kumar and Bhat, Ramakrishna G.} } @article {47071, title = {Effect of rice husk particle size on ZSM-5 physico-chemical properties for selective formation of 1,3,5-trimethyl-2-benzylbenzene (Pharmaceutical Intermediate)}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {FEB }, pages = {1255-1262}, type = {Article}, abstract = {

Rice husk, rich in silica and abundantly available as waste, is presently destroyed by burning, which creates environmental issues. Thus, it will be advantageous if this rice husk waste can be used for preparation of valuable products. One of the application is its use as silica source in the synthesis of zeolites like ZSM-5, which are silico-aluminates. Rice husk waste is available in wide range of particle sizes in agricultural farms. There is no study available in open literature on use of these wide particle ranges for its direct application. This paper is an attempt to use wide particle size rice husk, its effect on ZSM-5 synthesis and its physico-chemical properties. Further these prepared ZSM-5 catalyst was evaluated for benzylation of mesitylene reaction. The study found that, rice husk of 600 mu m particle size is optimum as far as ZSM-5 synthesis, its physicochemical properties and further its application in mesitylene benzylation reaction.

}, keywords = {Mesitylene, Particle size, rice husk, Silica Source, ZSM-5}, issn = {2365-6549}, doi = {10.1002/slct.202004802}, author = {Ghuge, Gorakh and Niphadkar, Prashant and Rathod, Simmy and Bokade, Vijay V.} } @article {47100, title = {Effective structure of a system with continuous polydispersity}, journal = {Journal of Chemical Physics}, volume = {154}, year = {2021}, month = {JAN }, pages = {034503}, type = {Article}, abstract = {

In a system of N particles, with continuous size polydispersity, there exists an N(N - 1) number of partial structure factors, making it analytically less tractable. A common practice is to treat the system as an effective one component system, which is known to exhibit an artificial softening of the structure. The aim of this study is to describe the system in terms of M pseudospecies such that we can avoid this artificial softening but, at the same time, have a value of M \<\< N. We use potential energy and pair excess entropy to estimate an optimum number of species, M-0. We then define the maximum width of polydispersity, Delta sigma (0), that can be treated as a monodisperse system. We show that M-0 depends on the degree and type of polydispersity and also on the nature of the interaction potential, whereas Delta sigma (0) weakly depends on the type of polydispersity but shows a stronger dependence on the type of interaction potential. Systems with a softer interaction potential have a higher tolerance with respect to polydispersity. Interestingly, M-0 is independent of system size, making this study more relevant for bigger systems. Our study reveals that even 1\% polydispersity cannot be treated as an effective monodisperse system. Thus, while studying the role of polydispersity by using the structure of an effective one component system, care must be taken in decoupling the role of polydispersity from that of the artificial softening of the structure.

}, issn = {0021-9606}, doi = {10.1063/5.0038812}, author = {Patel, Palak and Nandi, Manoj Kumar and Nandi, Ujjwal Kumar and Bhattacharyya, Sarika Maitra} } @article {47417, title = {Efficient metal-free organic room temperature phosphors}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {MAR}, pages = {4216-4236}, type = {Review}, abstract = {

An innovative transformation of organic luminescent materials in recent years has realised the exciting research area of ultralong room-temperature phosphorescence. Here the credit for the advancements goes to the rational design of new organic phosphors. The continuous effort in the area has yielded wide varieties of metal-free organic systems capable of extending the lifetime to several seconds under ambient conditions with high quantum yield and attractive afterglow properties. The various strategies adopted in the past decade to manipulate the fate of triplet excitons suggest a bright future for this class of materials. To analyze the underlying processes in detail, we have chosen high performing organic triplet emitters that utilized the best possible ways to achieve a lifetime above one second along with impressive quantum yield and afterglow properties. Such a case study describing different classes of metal-free organic phosphors and strategies adopted for the efficient management of triplet excitons will stimulate the development of better candidates for futuristic applications. This Perspective discusses the phosphorescence features of single- and multi-component crystalline assemblies, host-guest assemblies, polymers, and polymer-based systems under various classes of molecules. The various applications of the organic phosphors, along with future perspectives, are also highlighted.

}, issn = {2041-6520}, doi = {10.1039/d1sc00446h}, author = {Nidhankar, Aakash D. and Goudappagouda and Wakchaure, Vivek C. and Babu, Sukumaran Santhosh} } @article {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 {47420, title = {Electronic and optical properties of vacancy ordered double perovskites A(2)BX(6) (A=Rb, Cs; B=Sn, Pd, Pt; and X=Cl, Br, I): a first principles study}, journal = {Scientific Reports }, volume = {11}, year = {2021}, month = {MAR }, pages = {6965}, type = {Article}, abstract = {

The highly successful PBE functional and the modified Becke-Johnson exchange potential were used to calculate the structural, electronic, and optical properties of the vacancy-ordered double perovskites A(2)BX(6) (A=Rb, Cs; B=Sn, Pd, Pt; X=Cl, Br, and I) using the density functional theory, a first principles approach. The convex hull approach was used to check the thermodynamic stability of the compounds. The calculated parameters (lattice constants, band gap, and bond lengths) are in tune with the available experimental and theoretical results. The compounds, Rb2PdBr6 and Cs2PtI6, exhibit band gaps within the optimal range of 0.9-1.6 eV, required for the single-junction photovoltaic applications. The photovoltaic efficiency of the studied materials was assessed using the spectroscopic-limited-maximum-efficiency (SLME) metric as well as the optical properties. The ideal band gap, high dielectric constants, and optimum light absorption of these perovskites make them suitable for high performance single and multi-junction perovskite solar cells.

}, issn = {2045-2322}, doi = {10.1038/s41598-021-86145-x}, author = {Faizan, Muhammad and Bhamu, K. C. and Murtaza, Ghulam and He, Xin and Kulhari, Neeraj and AL-Anazy, Murefah Mana and Khan, Shah Haidar} } @article {47736, title = {Elucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)}, journal = {Journal of Alloys and Compounds}, volume = {883}, year = {2021}, month = {NOV}, pages = {161253}, type = {Correction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161253}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {47415, title = {Emergence of cooperatively reorganizing cluster and super-Arrhenius dynamics of fragile supercooled liquids}, journal = {Physical Review E}, volume = {103}, year = {2021}, month = {MAR}, pages = {032611}, type = {Article}, abstract = {

In this paper, we develop a theory to calculate the structural relaxation time tau(alpha) of fragile supercooled liquids. Using the information of the configurational entropy and structure, we calculate the number of dynamically free, metastable, and stable neighbors around a central particle. In supercooled liquids, the cooperatively reorganizing clusters (CRCs) in which the stable neighbors form {\textquoteleft}{\textquoteleft}stable{\textquoteright}{\textquoteright} nonchemical bonds with the central particle emerge. For an event of relaxation to take place, these bonds have to reorganize irreversibly; the energy involved in the processes is the effective activation energy of relaxation. The theory brings forth a temperature T-a and a temperature-dependent parameter psi(T) which characterize slowing down of dynamics on cooling. It is shown that the value of psi(T) is equal to 1 for T \> T-a, indicating that the underlying microscopic mechanism of relaxation is dominated by the entropy-driven processes, while for T \< T-a, psi(T ) decreases on cooling, indicating the emergence of the energy-driven processes. This crossover of psi(T) from high to low temperatures explains the crossover seen in tau(alpha). The dynamics of systems that may have similar static structure but very different dynamics can be understood in terms of psi(T). We present results for the Kob-Anderson model for three densities and show that the calculated values of tau(alpha) are in excellent agreement with simulation values for all densities. We also show that when psi(T), tau(alpha), and other quantities are plotted as a function of T/T-a, (or Ta/T), the data collapse on master curves.

}, issn = {2470-0045}, doi = {10.1103/PhysRevE.103.032611}, author = {Singh, Ankit and Bhattacharyya, Sarika Maitra and Singh, Yashwant} } @article {47626, title = {Enantioselective synthesis of 5,6-dihydroindolizines by N-heterocyclic carbene (NHC)-catalyzed core-structure-inspired strategy of azolium-enolate cascade}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {5223-5228}, type = {Article}, abstract = {The core-structure motivated design has allowed the enantioselective synthesis of 5,6-dihydroindolizines via N-heterocyclic carbene (NHC) catalysis. The NHC-catalyzed reaction of alpha,beta-unsaturated aldehydes with the suitably substituted pyrrole derivatives proceed via the initial generation of alpha,beta-unsaturated acylazoliums from enals, and enolates from pyrroles and the reaction culminated in an efficient cascade process involving the Michael-aldol-lactonization-decarboxylation sequence to afford the products in reasonable yields and high selectivities. The method is further extended to the construction of spirocyclic 5,6-dihydroindolizines.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01761}, author = {Ghosh, Arghya and Shee, Sayan and Barik, Shilpa and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {47135, title = {Energy and life cycle impact assessment for xylitol production from corncob}, journal = {Journal of Cleaner Production}, volume = {278}, year = {2021}, month = {JAN }, pages = {123217}, type = {Article}, abstract = {

The conversion of biobased feedstocks into energy and value-added chemicals is one main approach to address the current global challenge for waste mitigation through the biorefinery mode. Corncob biomass which is one of the most abundant agricultural residue in India with a high hemicellulose content, can serve as a potential low-cost raw material for food-grade xylitol production. The present study demonstrates a process for xylitol production from corncob biomass with detailed energy and life cycle analysis for viability assessment. The major highlight of the process is the use of microbial fermentation, where biomass-derived D-xylose is converted to xylitol with high selectivity. Overall, 0.502 kg of xylitol crystals could be produced from 3.5 kg of corncob biomass. Simulation analysis revealed that the evaporators are the primary consumers of energy, and the process of heat integration can significantly reduce the energy requirements of the overall process. Environmental impacts of the system evaluated showed emission results of 8.68 kg CO2 equivalent and revealed that marine aquatic and freshwater eco-toxicity are the only possible contributors to the environment. The results suggest that the process would have favourable energy balances, which can be used in pilot plant and heat exchanger network design and operation for xylitol production scale up to 500 L. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {biomass valorization, Life cycle impact assessment, simulation, xylitol}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2020.123217}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Ghosh, Prasenjit and Sharma, Tripti and Singh, Jasvinder and Prabhune, Asmita and More, Snehal and Bhaskar, Thallada and Ghosh, Debashish} } @article {47029, title = {Enhanced electrocatalytic activity of PtRu/nitrogen and sulphur co-doped crumbled graphene in acid and alkaline media}, journal = {Journal of Colloid and Interface Science}, volume = {590}, year = {2021}, month = {MAY }, pages = {154-163}, type = {Article}, abstract = {

The low mass activity and high price of pure platinum (Pt)-based catalysts predominantly limit their large-scale utilization in electrocatalysis. Therefore, the reduction of Pt amount while preserving the electrocatalytic efficiency represents a viable alternative. In this work, we prepared new PtRu2 nanoparticles supported on sulphur and nitrogen co-doped crumbled graphene with trace amounts of iron (PtRu2/PF) electrocatalysts. The PtRu2/PF catalysts exhibited enhanced electrocatalytic performance and stability for the hydrogen evolution reaction (HER) at pH = 0. Moreover, the prepared PtRu2/PF electrocatalyst displayed higher HER activity than commercial 20\% Pt/C. The PtRu2/PF catalyst achieved a current density of 10 mA cm(-2) at an overpotential value of only 22 mV for HER, performing better activity than many other Pt-based electrocatalysts. Besides, the PtRu2/PF revealed a good performance for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in alkaline media. The PtRu2/PF catalyst recorded a current density of 10 mA cm(-2) at an overpotential of only 270 mV for OER in KOH (1.0 M) solution and an onset potential of 0.96 V vs. RHE (at 1 mA cm(-2)) for ORR in KOH (0.1 M) solution. (C) 2021 Elsevier Inc. All rights reserved.

}, keywords = {HER, OER, ORR, PtRu2, Sulphur and nitrogen co-doped crumbled graphene}, issn = {0021-9797}, doi = {10.1016/j.jcis.2021.01.049}, author = {Pang, Liuqing and Miao, Yuanyuan and Bhange, Siddheshwar N. and Barras, Alexandre and Addad, Ahmed and Roussel, Pascal and Amin, Mohammed A. and Kurungot, Sreekumar and Szunerits, Sabine and Boukherroub, Rabah} } @article {47684, title = {Entacapone polymorphs: crystal structures, dissolution, permeability, and stability}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {OCT }, pages = {5573-5585}, type = {Article}, abstract = {Entacapone (ETP) is a catechol-O-methyltransferase (COMT) drug used to treat Parkinson{\textquoteright}s disease. ETP is available in the marketplace under the brand name Comtan since 2010, and ETP form-I was first reported in a patent published in 2001. However, analysis of its Xray crystal structures and stability relationship of ETP polymorphs and their dissolution and permeability profile have not yet been reported. We crystallized two new conformational polymorphs of ETP from a water and acetone mixture and studied the structural origin of polymorphism and their phase transformations, stability, equilibrium solubility, dissolution, and permeability properties. The ETP molecule adopts different conformations in the polymorphic structures with slight changes in carbonyl and nitrile group orientations. Thermal analysis suggests that form-III and form-IV are enantiotropically related to form-I, which is the thermodynamically stable form at ambient conditions. In contrast, form-II is monotropically related to form-I. Equilibrium solubility, dissolution, and permeability studies show that form-II persists in the slurry medium and dissolves faster with a high flux rate compared to the stable form-I in phosphate buffer solution at 37 +/- 0.5 degrees C.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c00381}, author = {Bommaka, Manish Kumar and Mannava, M. K. Chaitanya and Rai, Sunil K. and Suresh, Kuthuru and Nangia, Ashwini K.} } @article {47454, title = {Evidence of an nN(amide) {\textrightarrow} π*Ar interaction in N-Alkyl-N,N'-diacylhydrazines}, journal = {Organic letters}, volume = {23}, year = {2021}, month = {MAY}, pages = {7003-7007}, type = {Article}, abstract = {

1,2-Dibenzoyl-1-tert-butylhydrazine (RH-5849) and related\ N-alkyl-N,N'-diacylhydrazines are environmentally benign insect growth regulators. Herein, we show that an unusual nN(amide) {\textrightarrow} π*Ar\ interaction mediated by a hydrazide amide nitrogen atom plays a crucial role in stabilizing their biologically active trans{\textendash}cis (t{\textendash}c) rotameric conformations. We provide NMR and IR spectroscopic evidence for the presence of these interactions, which is also supported by X-ray crystallographic and computational studies.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c00834}, author = {Deka, Jugal Kishore Rai and Sahariah, Biswajit and Sakpal, Sushil S. and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47501, title = {Excimer to exciplex transition through realization of donor-acceptor interactions in luminescent solvent-free liquids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {JUN}, pages = {10780-10784}, type = {Article}, abstract = {Luminescent solvent-free organic liquids are known for their enhanced quantum yield, color tunability, and availability of a matrix for other dopants to generate hybrid luminescent materials with improved features for newer applications. Herein, we report a donor-acceptor based luminescent {\textquoteleft}{\textquoteleft}exciplex liquid{\textquoteright}{\textquoteright} by utilizing the slightly different electron affinity of the acceptor molecules. A red-shifted broad exciplex emission exhibited by the donor-acceptor pair even at a lower concentration of the acceptor (0.001 equiv.) indicates high efficiency in the solvent-free state. A detailed NMR study revealed weak intermolecular interactions between the donor and acceptor in the solvent-free matrix that stabilizes the exciplex liquid. The failure of structurally similar solid counterparts to form an exciplex confirms the advantage of the available supportive liquid matrix. Besides, the luminescent exciplex liquid is found efficient in sensing application, which is unachievable by either the individual liquids or their solid counterparts. Here, a transition of a donor-acceptor pair from a solid to solvent-free liquid results in a new hybrid liquid that can be an alternative for solid sensor materials.}, issn = {2040-3364}, doi = {10.1039/d1nr02190g, Early Access Date = MAY 2021}, author = {Wakchaure, Vivek Chandrakant and Goudappagouda and Das, Tamal and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {47371, title = {Extracellular HDAC6 ZnF UBP domain modulates the actin network and post-translational modifications of Tau}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {MAY }, pages = {49}, type = {Article}, abstract = {

Background: Microtubule-associated protein Tau undergoes aggregation in Alzheimer{\textquoteleft}s disease (AD) and a group of other related diseases collectively known as Tauopathies. In AD, Tau forms aggregates, which are deposited intracellularly as neurofibrillary tangles. Histone deacetylase-6 (HDAC6) plays an important role in aggresome formation, where it recruits polyubiquitinated aggregates to the motor protein dynein. Methods: Here, we have studied the effects of HDAC6 ZnF UBP on Tau phosphorylation, ApoE localization, GSK-3 beta regulation and cytoskeletal organization in neuronal cells by immunocytochemical analysis. This analysis reveals that the cell exposure to the UBP-type zinc finger domain of HDAC6 (HDAC6 ZnF UBP) can modulate Tau phosphorylation and actin cytoskeleton organization. Results: HDAC6 ZnF UBP treatment to cells did not affect their viability and resulted in enhanced neurite extension and formation of structures similar to podosomes, lamellipodia and podonuts suggesting the role of this domain in actin re-organization. Also, HDAC6 ZnF UBP treatment caused increase in nuclear localization of ApoE and tubulin localization in microtubule organizing centre (MTOC). Therefore, our studies suggest the regulatory role of this domain in different aspects of neurodegenerative diseases. Upon HDAC6 ZnF UBP treatment, inactive phosphorylated form of GSK-3 beta increases without any change in total GSK-3 beta level. Conclusions: HDAC6 ZnF UBP was found to be involved in cytoskeletal re-organization by modulating actin dynamics and tubulin localization. Overall, our study suggests that ZnF domain of HDAC6 performs various regulatory functions apart from its classical function in aggresome formation in protein misfolding diseases.

}, keywords = {Actin, Cytoskeleton, HDAC6, Microtubule, neurodegeneration, Phosphorylation, Podonut, Podosomes, Tau, Tauopathies}, doi = {10.1186/s12964-021-00736-9}, author = {Balmik, Abhishek Ankur and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {47030, title = {Fabrication of high energy density supercapacitor device based on hollow iridium oxide nanofibers by single nozzle electrospinning}, journal = {Applied Surface Science}, volume = {546}, year = {2021}, month = {APR }, pages = {149102}, type = {Article}, abstract = {

Herein, we have synthesized iridium oxide (IrO2) nanofibers using electrospinning technique and optimization of annealing temperature is undertaken in order to obtain high quality IrO2 nanofibers. The annealing temperature is varied as 200, 300, 400 and 500 degrees C. The synthesized material has hollow nanofibrous morphology with average diameter similar to 45 nm. The formed nanofibers are amorphous in nature. The X-ray Photoelectron Spectroscopy (XPS) result revealed that synthesized iridium is in +4 oxidation state. The electrochemical performance of IrO2 electrodes showed 2 V potential window in three electrode system using 1 M Sodium sulphate (Na2SO4) aqueous electrolyte. The maximum specific capacitance is obtained for sample annealed at 400 degrees C (705F/g at 1 mA/cm(2)) which is due to the well-developed morphology with complete removal of polymer content. Moreover, a novel solid state symmetric IrO2/IrO2 supercapacitor with a high operating voltage of 2 V is built. The symmetric supercapacitor exhibits an energy density of 59 Wh/kg at a power density of 714 W/kg and an excellent cycling stability. These results demonstrate the potentialities of using IrO2 for symmetric supercapacitor for building high energy and power density devices.

}, keywords = {Aqueous electrolyte, Hollow iridium oxide nanofibers, Symmetric supercapacitor}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149102}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Pawar, S. A. and Shin, J. C. and Patil, P. S.} } @article {47384, title = {Facile access to functional polyacrylates with dual stimuli response and tunable surface hydrophobicity}, journal = {Polymer Chemistry}, volume = {12}, year = {2021}, month = {MAY }, pages = {3042-3051}, type = {Article}, abstract = {

Magnetically separable and reusable Ni-Co alloy nanoparticles were employed to achieve ambient temperature reversible deactivation radical polymerization (RDRP) of methyl acrylate (MA), for the first time, yielding well-defined PMA (at least up to 124 500 g mol(-1)) with a low dispersity (D \<= 1.20). The controlled polymerization character of RDRP of MA was confirmed from the linear semilogarithmic plot exhibiting pseudo first order kinetics, a linear increase of the molecular weight of the polymer with monomer conversion maintaining low D and the synthesis of PMAs of varying molecular weights from 2200 to 124 500 g mol(-1) with low D. In addition, linear PMA-Br was used as a macroinitiator for the synthesis of several well-defined PMA-b-poly(M) block copolymers (where {\textquoteleft}{\textquoteleft}M{\textquoteright}{\textquoteright} stands for (2-dimethylamino)ethyl methacrylate (DMAEMA), tert-butyl methylacrylate (TBMA) and 2,2,3,3,4,4,5,5-octafluoropentyl acrylate (OFPA)), with acceptable Ds (\<= 1.24), demonstrating the high chain-end fidelity of the macroinitiator. The synthesized PMA-b-PDMAEMA demonstrated dual pH- and thermo-responsive properties. Upon hydrolysis, the synthesized PMA-b-PTBMA leads to the formation of unprecedented carboxylic acid-functionalized PMA derivatives. PMA-b-POFPA copolymers with varying OFPA mol\% in the copolymer led to polymers with tunable surface hydrophobicity, as revealed by the water contact angle measurements.

}, issn = {1759-9954}, doi = {10.1039/d1py00378j, Early Access Date = APR 2021}, author = {Mohammad, Sk Arif and Dolui, Subrata and Kumar, Devendra and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {47052, title = {Facile synthesis of CNT interconnected PVP-ZIF-8 derived hierarchically porous Zn/N co-doped carbon frameworks for oxygen reduction dagger}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {MAR}, pages = {6248-6258}, type = {Article}, abstract = {

In this work, a strategy has been adopted to construct an architecture through the coordination of polyvinylpyrrolidone (PVP) and a monodisperse zeolitic imidazolate framework (ZIF-8), which was entwined by carbon nanotubes (CNTs) firstly, followed by a pyrolysis process to obtain the hybrid catalyst. The meticulous design of the hybrid material using CNTs to interconnect the PVP assisted ZIF-8 derived porous carbon frameworks together produces a hierarchical pore structure and dual-heteroatom (Zn/N) doping (Zn-N/PC@CNT). Without further acid treatment, the hybrid material prepared after pyrolysis at 900 degrees C (PVP-ZIF-8@CNT-900) has been demonstrated as an efficient non-precious metal catalyst for the oxygen reduction reaction (ORR) with its superior stability compared to the commercial 20 wt\% Pt/C catalyst in alkaline media. The catalyst shows better performance towards the ORR, with its more positive onset and half-wave potentials (E-onset = 0.960 V vs. RHE and E-1/2 = 0.795 V vs. RHE) than the counterpart system which is free of both CNT and PVP. The high performance of the hybrid catalyst can be ascribed to the co-existence of dual-active sites with hierarchical pore structures originating from the synergistic effects between Zn/N co-doped porous carbon and CNTs. We further demonstrated the single-cell performance by using the homemade system as the cathode catalyst for the Alkaline Exchange Membrane Fuel Cell (AEMFC) system, which showed a maximum power density of 45 mW cm(-2) compared to 60 mW cm(-2) obtained from the 40 wt\% Pt/C catalyst.

}, issn = {2040-3364}, doi = {10.1039/d0nr09156a, Early Access Date = FEB 2021}, author = {Singla, Gourav and Bhange, Siddheshwar N. and Mahajan, Mani and Kurungot, Sreekumar} } @article {47747, title = { Flexible energy harvester from an organic ferroelectric ammonium salt}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {DEC }, pages = {4122-4129}, type = {Article}, abstract = {Organic ferroelectrics due to their low cost, easy preparation, light weight, high flexibility and phase stability are gaining tremendous attention in the field of portable electronics. In this work, we report the synthesis, structure and ferroelectric behavior of a two-component ammonium salt 2, containing a bulky [Bn(4-BrBn)NMe2](+) (Bn=benzyl and 4-BrBn=4-bromobenzyl) cation and tetrahedral (BF4)(-) anion. The structural analysis revealed the presence of rich non-classical C-H...F and C-H...Br interactions in this molecule that were quantified by Hirshfeld surface analysis. The polarization (P) vs. electric field (E) hysteresis loop measurements on 2 gave a remnant polarization (P-r) of 14.4 mu C cm(-2) at room temperature. Flexible polymer composites with various (5, 10, 15 and 20) weight percentages (wt\%) of 2 in thermoplastic polyurethane (TPU) were prepared and tested for mechanical energy harvesting applications. A notable peak-to-peak output voltage of 20 V, maximum current density of 1.1 mu A cm(-2) and power density of 21.1 mu W cm(-2) were recorded for the 15 wt\% 2-TPU composite device. Furthermore, the voltage output generated from this device was utilized to rapidly charge a 100 mu F capacitor, with stored energies and measured charges of 156 mu J and 121.6 mu C, respectively.}, keywords = {Dielectric, energy harvesting, ferroelectricity, organic composites, piezoelectric}, issn = {1861-4728}, doi = {10.1002/asia.202101128}, author = {Gupta, Rishabh and Sahoo, Supriya and Deswal, Swati and Kothavade, Premkumar and Dixit, Prashant and Zareba, Jan K. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {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 {47653, title = {Glycerol-triazole conjugated rhodamine as colorimetric and fluorimetric sensor for Cu2+}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {SEP}, pages = {9288-9292}, type = {Article}, abstract = {{A glycerol-triazole tethered rhodamine based colorimetric and fluorimetric sensor 3 {\textquoteleft},6 {\textquoteleft}-bis(diethylamino)-2-(((1-(1,3-dihydroxypropan-2-yl)-1H-1,2,3-triazol-4 -yl)methylene)aminospiro [isoindoline-1,9 {\textquoteleft}-xanthen]-3-one (L1) is designed and synthesized for the selective recognition of Cu2+ ion. The sensor L1 allows naked eye detection of Cu2+ ion with a fast response (<1 min). Among the various metal ions tested, the sensor L1 shows selective binding with Cu2+ through turn-on fluorescence mechanism. The sensor shows 1 : 2 binding stoichiometry with binding constant}, keywords = {Cu2+ Sensor, DFT, Glycerol, Rhodamine B, Triazole}, issn = {2365-6549}, doi = {10.1002/slct.202102145}, author = {Verma, Abhishek and Gahlyan, Parveen and Bawa, Rashim and Dash, Soumya Ranjan and Prasad, Ashok K. and Kumar, Rakesh} } @article {47413, title = {Green synthesis of xanthene and acridine-based heterocycles of pharmaceutical importance: a review}, journal = {Environmental Chemistry Letters}, year = {2021}, month = {MAR}, type = {Review; Early Access}, abstract = {

Xanthene and acridine-based heterocyclic compounds find applications in cancer chemotherapy, biological staining and laser dyes and are known for their antibacterial and anti-tumor properties. Here we review green catalytic routes for the synthesis of 1,8-dioxo-octahydroxanthenes, 1,8-dioxo-decahydroacridines and related heterocyclic molecules with catalysts such as metal oxides, mixed metal oxides, resins, supported organocatalysts, heteropolyacids, carbon-based materials, zeolites, sulfides and ionic liquids. We compare protocols for their catalytic activities, and proposed mechanisms are discussed.

}, keywords = {green chemistry, heterocycles, heterogeneous catalysis, Metal oxides, nanocatalysis}, issn = {1610-3653}, doi = {10.1007/s10311-021-01223-w, Early Access Date = MAR 2021}, author = {Burange, Anand S. and Gadam, Komal G. and Tugaonkar, Prajyot S. and Thakur, Seema D. and Soni, Ravish K. and Khan, Rubej R. and Tai, Mubashira S. and Gopinath, Chinnakonda S.} } @article {47630, title = {Heterogeneous C-H functionalization in water via porous covalent organic framework nanofilms: a case of catalytic sphere transmutation}, journal = {Journal of the American Chemical Society}, volume = {143}, year = {2021}, month = {JUN }, pages = {8426-8436}, type = {Article}, abstract = {Heterogeneous catalysis in water has not been explored beyond certain advantages such as recyclability and recovery of the catalysts from the reaction medium. Moreover, poor yield, extremely low selectivity, and active catalytic site deactivation further underrate the heterogeneous catalysis in water. Considering these facts, we have designed and synthesized solution-dispersible porous covalent organic framework (COF) nanospheres. We have used their distinctive morphology and dispersibility to functionalize unactivated C-H bonds of alkanes heterogeneously with high catalytic yield (42-99\%) and enhanced regioand stereoselectivity (3 degrees:2 degrees = 105:1 for adamantane). Further, the fabrication of catalyst-immobilized COF nanofilms via covalent self-assembly of catalytic COF nanospheres for the first time has become the key toward converting the catalytically inactive homogeneous catalysts into active and effective heterogeneous catalysts operating in water. This unique covalent self-assembly occurs through the protrusion of the fibers at the interface of two nanospheres, transmuting the catalytic spheres into films without any leaching of catalyst molecules. The catalyst-immobilized porous COF nanofilms{\textquoteright} chemical functionality and hydrophobic environment stabilize the high-valent transient active oxoiron(V) intermediate in water and restricts the active catalytic site{\textquoteright}s deactivation. These COF nanofilms functionalize the unactivated C-H bonds in water with a high catalytic yield (45-99\%) and with a high degree of selectivity (cis:trans = 155:1; 3 degrees:2 degrees = 257:1, for cis-1,2-dimethylcyclohexane). To establish this approach{\textquoteright}s {\textquoteleft}{\textquoteleft}practical implementation{\textquoteright}{\textquoteright}, we conducted the catalysis inflow (TON = 424 +/- 5) using catalyst-immobilized COF nanofilms fabricated on a macroporous polymeric support.}, issn = {0002-7863}, doi = {10.1021/jacs.1c02425}, author = {Sasmal, Himadri Sekhar and Bag, Saikat and Chandra, Bittu and Majumder, Poulami and Kuiry, Himangshu and Karak, Suvendu and Sen Gupta, Sayam and Banerjee, Rahul} } @article {47716, title = {Hierarchical ITO nanofibers coated Mn3O(4) nanoplates core-shell nanocomposites for high performance all-solid-state symmetric supercapacitor device}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {NOV }, pages = {29771-29785}, type = {Article}, abstract = {We have made a first attempt to build a novel Tin doped indium oxide@Manganese oxide (ITO@Mn3O4) nanocomposite electrode to overcome the detriments of Mn3O4 such as low conductivity and small potential window. Herein, we have synthesized the ITO@Mn3O4 nanocomposite by growing Mn3O4 nanoplates over ITO nanofibers synthesized by electrospinning technique. Benefitted from, the high conductivity and negative operating potential window of ITO exceptionally increased in the electrochemical performance of ITO@Mn3O4 was observed. The specific capacitance of optimized ITO@Mn3O4 nanocomposite reached up to 823 F/g at 1 mA/ cm2 in a wide potential window of 2 V using Na2SO4 electrolyte. To determine the practical feasibility an ITO@Mn3O4//ITO@Mn3O4 all-solid-state symmetric device was developed, which operated very well in a 2.2 V voltage window. It was found to deliver a maximum energy density of 88 Wh/kg and a power density of 550 W/ kg. This novel composite inferred the significance of using simple design to build a high-performance device.}, keywords = {electrospinning, ITO@Mn3O4 nanocomposite, PVA-LiClO4, SILAR, Solid-state symmetric device}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.07.149}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Pawar, K. K. and Patil, D. S. and Shin, J. C. and Patil, P. S.} } @article {47611, title = {Historical overview of long-distance signalling in plants}, journal = {Journal of Experimental Botany}, volume = {72}, year = {2021}, month = {MAY}, pages = {4218-4236}, type = {Review}, abstract = {Be it a small herb or a large tree, intra- and intercellular communication and long-distance signalling between distant organs are crucial for every aspect of plant development. The vascular system, comprising xylem and phloem, acts as a major conduit for the transmission of long-distance signals in plants. In addition to expanding our knowledge of vascular development, numerous reports in the past two decades revealed that selective populations of RNAs, proteins, and phytohormones function as mobile signals. Many of these signals were shown to regulate diverse physiological processes, such as flowering, leaf and root development, nutrient acquisition, crop yield, and biotic/abiotic stress responses. In this review, we summarize the significant discoveries made in the past 25 years, with emphasis on key mobile signalling molecules (mRNAs, proteins including RNA-binding proteins, and small RNAs) that have revolutionized our understanding of how plants integrate various intrinsic and external cues in orchestrating growth and development. Additionally, we provide detailed insights on the emerging molecular mechanisms that might control the selective trafficking and delivery of phloem-mobile RNAs to target tissues. We also highlight the cross-kingdom movement of mobile signals during plant-parasite relationships. Considering the dynamic functions of these signals, their implications in crop improvement are also discussed.}, keywords = {Long-distance signalling, mobile RNAs, phloem, plasmodesmata, RNA-binding proteins, small RNAs}, issn = {0022-0957}, doi = {10.1093/jxb/erab048}, author = {Kondhare, Kirtikumar R. and Patil, Nikita S. and Banerjee, Anjan K.} } @article {47049, title = {Hydrate-based carbon capture process: assessment of various packed bed systems for boosted kinetics of hydrate formation}, journal = {Journal of Energy Resources Technology-Transactions of the ASME}, volume = {143}, year = {2021}, month = {MAR }, pages = {033005}, type = {Article}, abstract = {

The case for developing novel technologies for carbon dioxide (CO2) capture is fast gaining traction owing to increasing levels of anthropogenic CO2 being emitted into the atmosphere. Here, we have studied the hydrate-based carbon dioxide capture and separation process from a fundamental viewpoint by exploring the use of various packed bed media to enhance the kinetics of hydrate formation using pure CO2 as the hydrate former. We established the fixed bed reactor (FBR) configuration as a superior option over the commonly used stirred tank reactor (STR) setups typically used for hydrate formation studies by showing enhanced hydrate formation kinetics using the former. For the various packing material studied, we have observed silica gel with 100 nm pore size to return the best kinetic performance, corresponding to a water to hydrate conversion of 28 mol\% for 3 h of hydrate growth. The fundamental results obtained in the present study set up a solid foundation for follow-up works with a more applied perspective and should be of interest to researchers working in the carbon dioxide capture and storage and gas hydrate fields alike.

}, keywords = {air emissions from fossil fuel combustion, Carbon dioxide capture, combustion of waste, Fixed bed reactor, fuel combustion, Gas hydrate, hydrates, kinetics, Silica gel}, issn = {0195-0738}, doi = {10.1115/1.4048304}, author = {Arora, Amit and Kumar, Asheesh and Bhattacharjee, Gaurav and Balomajumder, Chandrajit and Kumar, Pushpendra} } @article {47424, title = {Hydrogenolysis of glycerol in an aqueous medium over Pt/WO3/zirconium phosphate catalysts studied by H-1 NMR spectroscopy}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAR}, pages = {5013-5022}, type = {Article}, abstract = {

Bifunctional Pt/WO3/zirconium phosphate catalyzes the liquid-phase hydrogenolysis of glycerol in an aqueous medium. H-1 NMR spectroscopy (solvent suppression pulse program) is employed to monitor this reaction. Propanediols (1,3 + 1,2-PDO) formed as the major product along with propanols (1- and 2-POs) as the minor product. A synergistic enhancement in glycerol conversion and selectivity to 1,3-PDO was observed when both Pt and WO3 were present in the catalyst. A volcano-shape variation of catalytic activity with W content was observed. A catalyst with 8 wt\% W and 1 wt\% Pt exhibited the highest selective hydrogenolysis performance (glycerol conversion = 92.3\% and total PDOs selectivity = 45.9\% and 1,3-PDO selectivity = 20.8\% at 200 degrees C). Dispersed Pt in contact with polytungstate-type WO3 species was found to be the active catalytic site. H-1 NMR spectroscopy is demonstrated as an attractive technique to quantify the products of a glycerol hydrogenolysis reaction.

}, issn = {1144-0546}, doi = {10.1039/d0nj05557c}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Darbha, Srinivas} } @article {47397, title = {Hypervalent iodine(iii) induced oxidative olefination of benzylamines using Wittig reagents}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAY}, pages = {8806-8813}, type = {Article}, abstract = {

We have developed hypervalent iodine(iii) induced oxidative olefination of primary and secondary benzylamines using 2C-Wittig reagents, which provides easy access to alpha,beta-unsaturated esters. Mild reaction conditions, good to excellent yields with high (E) selectivity, and a broad substrate scope are the key features of this reaction. We have successfully carried out the gram-scale synthesis of alpha,beta-unsaturated esters.

}, issn = {1144-0546}, doi = {10.1039/d1nj01170g, Early Access Date = APR 2021}, author = {Ramavath, Vijayalakshmi and Rupanawar, Bapurao D. and More, Satish G. and Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {47806, title = {Identification of a novel series of potent organosilicon mosquito repellents}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {NOV}, pages = {31236-31243}, type = {Article}, abstract = {Mosquito control by personal protection is one of the most efficient ways of curtailing deadly diseases such as malaria and dengue with the potential to save millions of lives per year. DEET (N,N-diethyl-3-methyl benzamide) is currently considered as the gold standard for mosquito repellents, being used for the past several decades. Control by DEET, however, is being threatened by emerging resistance among mosquitoes. To address this concern and also to improve protection times, we synthesized a novel series of 25 silicon-containing acyl piperidines using acid{\textendash}amine coupling protocol and tested their activity against Aedes aegypti in mosquito-repellent assays. Several compounds from this series appear to possess good mosquito-repellent properties. Most notably, at 0.5 mg/cm2 concentrations, the mean protection time for NDS100100 was 756 min, which was higher than that of DEET (616 min). The details of design, synthesis, and biological evaluation are discussed herein.}, doi = {10.1021/acsomega.1c04961}, author = {Kulkarni, Akshay S. and Ramesh, Remya and Walia, Safal and Sayyad, Shahebaz I. and Gathalkar, Ganesh B. and Balamkundu, Seetharamsing and Joshi, Manali and Sen, Avalokiteswar and Reddy, D. Srinivasa} } @article {47133, title = {Improving efficiency for removal of ammoniacal nitrogen from wastewaters using hydrodynamic cavitation}, journal = {Ultrasonics Sonochemistry}, volume = {70}, year = {2021}, month = {JAN}, pages = {105306}, type = {Article}, abstract = {

The present study reports significant improvements in the removal of ammoniacal nitrogen from wastewater which is an important problem for many industries such as dyes and pigment, distilleries and fisheries. Pilot plant studies (capacity, 1 m(3)/h) on synthetic wastewater using 4-amino phenol as model nitrogen containing organic compound and two real industrial effluents of high ammoniacal nitrogen content were carried out using hydrodynamic cavitation. Two reactor geometries were evaluated for increased efficiency in removal-orifice and vortex diode. Effect of initial concentration (100-500 mg/L), effect of pressure drop (0.5-5 bar) and nature of cavitating device (linear and vortex flow for cavitation) were evaluated along with effect of salt content, effect of hydrogen peroxide addition and aeration. Initial concentration was found to have significant impact on the extent of removal: similar to 5 g/m(3) removal for initial concentration of 100 mg/L and up to 12 g/m(3) removal at high concentration of 500 mg/L. Interestingly, significant improvement of the order of magnitude (up to 8 times) in removal of ammoniacal nitrogen could be obtained by sparging air or oxygen in hydrodynamic cavitation and a very high removal of above 80\% could be achieved. The removal of ammoniacal nitrogen by vortex diode was also found to be effective in the industrial wastewaters and results on two different effluent samples of distillery industry indicated up to 75\% removal, though with longer time of treatment compared to that of synthetic wastewater. The developed methodology of hydrodynamic cavitation technology with aeration and vortex diode as a cavitating device was found to be highly effective for improving the efficiency of the conventional cavitation methods and hence can be highly useful in industrial wastewater treatment, specifically for the removal of ammoniacal nitrogen.

}, keywords = {Amino phenol, Cavitation, Oxidation, pollution, Wastewater treatment}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2020.105306}, author = {Patil, Pravin B. and Bhandari, Vinay M. and Ranade, Vivek V.} } @article {47072, title = {Improving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {FEB }, pages = {5521-5528}, type = {Article}, abstract = {

The next-generation indium-based lead-free halide material Cs2InAgCl6 is promising for photovoltaic applications due to its good air stability and non-toxic behavior. However, its wide bandgap (\>3 eV) is not suitable for the solar spectrum and hence reduces its photoelectronic efficiency for device applications. Here we report a significant bandgap reduction from 2.85 eV to 0.65 eV via substitutional doping and its effects on the optoelectronic and opto-thermoelectric properties from a first-principles study. The results predict that Sn/Pb and Ga and Cu co-doping will enhance the density of states significantly near the valence band maximum (VBM) and thus reduce the bandgap via shifting the VBM upward, while alkali metals (K/Rb) slightly increase the bandgap. A strong absorption peak near the Shockley-Queisser limit is observed in the co-doped case, while in the Sn/Pb-doped case, we notice a peak in the middle of the visible region of the solar spectrum. The nature of the bandgap is indirect with Cu-Ga/Pb/Sn doping, and a significant reduction in the bandgap, from 2.85 eV to 0.65 eV, is observed in the case of Ga-Cu co-doping. We observe a significant increase in the power factor (PF) (2.03 mW m(-1) K-2) for the n-type carrier after Pb-doping, which is similar to 3.5 times higher than in the pristine case (0.6 mW m (-1) K-2) at 500 K.

}, doi = {10.1039/d0ra01840f}, author = {Bhamu, K. C. and Haque, Enamul and Praveen, C. S. and Kumar, Nandha and Yumnam, G. and Hossain, Md. Anwar and Sharma, Gautam} } @article {47107, title = {Insertion copolymerization of functional olefins: Quo Vadis?}, journal = {European Polymer Journal}, volume = {143}, year = {2021}, month = {JAN }, pages = {110183}, type = {Article}, abstract = {

Functional polyethylene is a specialty polymer with unique set of properties and caters to a niche market. Currently, it is manufactured using high-pressure, high-temperature radical polymerization, or post-reactor (indirect) modification methods. Insertion copolymerization of functional olefins with ethylene provides a low pressure, direct route to prepare functional polyethylenes. However, insertion copolymerization of functional olefins with ethylene poses several impediments and requires special considerations. This review presents the current strategies, examines the progress, and attempts to gauge the commercial potential of direct synthesis of functional polyethylene. The performance of late transition metal catalysts derived from a-diimine, imine-phenolate, phosphine-sulfonate, bis-phosphine-mono-oxide, carbene-phenolate, phosphine-phenolate and their derivatives in the insertion copolymerization of functional olefins with ethylene is evaluated. While catalyst designing is crucial, incorporation of polar olefins that can serve an additional purpose is equally important. Therefore, we have organized the review in the following sections, polar alkenes with- acrylates, acrylic acids, acetates, nitriles, ethers, halides, two functional groups, cross-linking groups, dynamic interactions/self-healing properties, additional function/purpose, renewable functional olefins, and examine the progress. Among these, acrylates have been most intensively investigated and have been successfully incorporated in the polyethylene main-chain. Ethylene, methyl acrylate copolymers prepared by direct copolymerization reveal comparable melting temperature to that of LLDPE (at similar co-monomer content) and unfold the commercial potential of these materials. Recent developments on the insertion copolymerization of renewable functional olefins and di-functional olefins have elicited significant interest. This strategy is being viewed as a means of reducing environmental impact and enabling high functional group density at the same extent of incorporation. The overview thus offers a succinct account of insertion copolymerization of functional olefins, sheds light on the copolymer microstructure/material properties, and initiates a discussion on the commercial potential of functional polyethylene.

}, keywords = {Catalyst, Functional polyethylene, functional polyolefins, Hydrophilic polyethylene, insertion copolymerization, Polyethylene}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2020.110183}, author = {Birajdar, Rajkumar S. and Chikkali, Samir H.} } @article {47390, title = {Insights from a pan India Sero-epidemiological survey (Phenome-India Cohort) for SARS-CoV2}, journal = {eLife}, volume = {10}, year = {2021}, month = {APR }, pages = {e66537}, type = {Article}, abstract = {

To understand the spread of SARS-CoV2, in August and September 2020, the Council of Scientific and Industrial Research (India) conducted a serosurvey across its constituent laboratories and centers across India. Of 10,427 volunteers, 1058 (10.14\%) tested positive for SARS-CoV2 anti-nucleocapsid (anti-NC) antibodies, 95\% of which had surrogate neutralization activity. Three-fourth of these recalled no symptoms. Repeat serology tests at 3 (n = 607) and 6 (n = 175) months showed stable anti-NC antibodies but declining neutralization activity. Local seropositivity was higher in densely populated cities and was inversely correlated with a 30-day change in regional test positivity rates (TPRs). Regional seropositivity above 10\% was associated with declining TPR. Personal factors associated with higher odds of seropositivity were high-exposure work (odds ratio, 95\% confidence interval, p value: 2.23, 1.92-2.59, \<0.0001), use of public transport (1.79, 1.43-2.24, \<0.0001), not smoking (1.52, 1.16-1.99, 0.0257), non-vegetarian diet (1.67, 1.41-1.99, \<0.0001), and B blood group (1.36, 1.15-1.61, 0.001).

}, issn = {2050-084X}, doi = {10.7554/eLife.66537}, author = {Naushin, Salwa and Sardana, Viren and Ujjainiya, Rajat and Bhatheja, Nitin and Kutum, Rintu and Bhaskar, Akash Kumar and Pradhan, Shalini and Prakash, Satyartha and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Chandak, Giriraj Ratan and Lahiri, Amit and Kar, Susanta and Mulay, Shrikant Ramesh and Mugale, Madhav Nilakanth and Srivastava, Mrigank and Khan, Shaziya and Srivastava, Anjali and Tomar, Bhawana and Veerapandian, Murugan and Venkatachalam, Ganesh and Vijayakumar, Selvamani Raja and Agarwal, Ajay and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Sundaram, Gopinath M. and Veeranna, Ravindra P. and Pal, Anirban and Agarwal, Vinay Kumar and Maurya, Anil Ku and Singh, Ranvijay Kumar and Raman, Ashok Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Venkatesan, Subramanian and Sardana, Harish Kumar and Kothari, Anamika and Jain, Rishabh and Thakur, Anupama and Parihar, Devendra Singh and Saifi, Anas and Kaur, Jasleen and Kumar, Virendra and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Singh, Praveen and Chakraborty, Rahul and Chaturvedi, Gaura and Karunakar, Pinreddy and Yadav, Rohit and Singhmar, Sunanda and Singh, Dayanidhi and Sarkar, Sharmistha and Bhattacharya, Purbasha and Acharya, Sundaram and Singh, Vandana and Verma, Shweta and Soni, Drishti and Seth, Surabhi and Vashisht, Sakshi and Thakran, Sarita and Fatima, Firdaus and Singh, Akash Pratap and Sharma, Akanksha and Sharma, Babita and Subramanian, Manikandan and Padwad, Yogendra S. and Hallan, Vipin and Patial, Vikram and Singh, Damanpreet and Tripude, Narendra Vijay and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sarkar, Jit and Ramakrishna, Sistla and Kumar, Balthu Narender and Kumar, Kiran A. and Gandhi, Sumit G. and Jamwal, Piyush Singh and Chouhan, Rekha and Jamwal, Vijay Lakshmi and Kapoor, Nitika and Ghosh, Debashish and Thakkar, Ghanshyam and Subudhi, Umakanta and Sen, Pradip and Chaudhury, Saumya Ray and Kumar, Rashmi and Gupta, Pawan and Tuli, Amit and Sharma, Deepak and Ringe, Rajesh P. and Amarnarayan, D. and Kulkarni, Mahesh and Shanmugam, Dhansekaran and Dharne, Mahesh S. and Dastager, Sayed G. and Joshi, Rakesh and Patil, Amita P. and Mahajan, Sachin N. and Khan, Abujunaid Habib and Wagh, Vasudev and Yadav, Rakesh Kumar and Khilari, Ajinkya and Bhadange, Mayuri and Chaurasiya, Arvindkumar H. and Kulsange, Shabda E. and Khairnar, Krishna and Paranjape, Shilpa and Kalita, Jatin and Sastry, Narahari G. and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, Ravi Kumar and Babu, Elapavalooru Vssk and Sukumaran, Rajeev and Nair, Aiswarya R. and Valappil, Prajeesh Kooloth and Puthiyamadam, Anoop and Velayudhanpillai, Adarsh and Chodankar, Kalpana and Damare, Samir and Madhavi, Yennapu and Aggarwal, Ved Varun and Dahiya, Sumit and Agrawal, Anurag and Dash, Debasis and Sengupta, Shantanu} } @article {46630, title = {Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {JAN }, pages = {674-681}, type = {Article}, abstract = {

Developing donors for Ziegler-Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi-component nature of the catalytic systems. Here, we have developed a new synthetic protocol for making two external donors, D-1 (2,2,2-trifluoroethyl myristate) and D-2 (2,2,2-trifluoroethyl palmitate) that show self-extinguishing properties, followed by a systematic DFT study to understand this peculiar property of these donors. D-1 and D-2 can undergo parallel reactions with aluminum and titanium species present in the system to produce ketones and aldehydes, which are poisons for ZN catalytic systems, thus explaining their self-extinguishing nature. The non-covalent interaction between the long alkyl chain of the donors with the surface plays a vital role in determining the donors {\textquoteleft} self-extinguishing nature. There is a significant thermodynamic preference for the binding of the donor with the longer alkyl chain at the titanium center. The current work, therefore, provides interesting insights into how self-extinguishing donors function in ZN catalytic systems.

}, keywords = {DFT, donors, non-covalent interactions, self-extinguishing, Ziegler-Natta catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202001493, Early Access Date = NOV 2020}, author = {Vipin Raj, K. and Kumawat, Jugal and Dhamaniya, Sunil and Subaramanian, Murugan and Balaraman, Ekambaram and Kumar Gupta, Virendra and Vanka, Kumar and Grubbs, Robert H.} } @article {47754, title = {In-situ experimental and computational approach to investigate the nature of active site in low-temperature CO-PROX over CuOx-CeO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {624}, year = {2021}, month = {AUG }, pages = {118305}, type = {Article}, abstract = {Preferential oxidation (PROX) of carbon monoxide (CO) in presence of excess hydrogen is a necessity to prevent poisoning of the Pt-anode by CO in PEMFCs (Polymer Electrolyte Membrane Fuel Cell). A highly active catalyst, 5 wt\% Cu-CeO2 showed 100 \% CO conversion at 65 degrees C without any undesirable oxidation of H-2. The catalyst showed no deactivation even after 100 h on stream, making it viable for practical fuel cell application. Operando EPR in the PROX reaction condition revealed highly dispersed mixed valent cations with oxygen vacancies, responsible for the low-temperature PROX activity. At the active site, both Cu and Ce ions were shown to reversibly change their valence states to facilitate the abstraction of bridging lattice oxygen for CO oxidation to CO2. This surface oxygen mediated CO oxidation was found to be much faster than that of H-2 to H2O, which could explain the complete selectivity of oxygen for CO2 formation.}, keywords = {CuOx-CeO2, interface, Oxygen vacancy, PROX, Synergistic}, issn = {0926-860X}, doi = {10.1016/j.apcata.2021.118305}, author = {Adak, Shubhadeep and Rabeah, Jabor and Ranjan, Ravi and Khan, Tuhin Suvra and Poddar, Mukesh Kumar and Gupta, Rishi Kumar and Sasaki, Takehiko and Kumar, Sagar and Bordoloi, Ankur and Gopinath, Chinnakonda S. and Bruckner, Angelika and Bal, Rajaram} } @article {47751, title = {Ionic conductivity of Na3Al2P3O12 glass electrolytes role of charge compensators}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {SEP }, pages = {12893-12905}, type = {Article}, abstract = {In glasses, a sodium ion (Na+) is a significant mobile cation that takes up a dual role, that is, as a charge compensator and also as a network modifier. As a network modifier, Na+ cations modify the structural distributions and create nonbridging oxygens. As a charge compensator, Na+ cations provide imbalanced charge for oxygen that is linked between two network-forming tetrahedra. However, the factors controlling the mobility of Na+ ions in glasses, which in turn affects the ionic conductivity, remain unclear. In the current work, using high-fidelity experiments and atomistic simulations, we demonstrate that the ionic conductivity of the Na3Al2P3O12 (Si0) glass material is dependent not only on the concentration of Na+ charge carriers but also on the number of charge-compensated oxygens within its first coordination sphere. To investigate, we chose a series of glasses formulated by the substitution of Si for P in Si0 glass based on the hypothesis that Si substitution in the presence of Na+ cations increases the number of SiOAl bonds, which enhances the role of Na as a charge compensator. The structural and conductivity properties of bulk glass materials are evaluated by molecular dynamics (MD) simulations, magic angle spinning-nuclear magnetic resonance, Raman spectroscopy, and impedance spectroscopy. We observe that the increasing number of charge-imbalanced bridging oxygens (BOs) with the substitution of Si for P in Si0 glass enhances the ionic conductivity by an order of magnitudefrom 3.7 x 10(-8) S.cm(-1) to 3.3 x 10(7) S.cm(-1) at 100 degrees C. By rigorously quantifying the channel regions in the glass structure, using MD simulations, we demonstrate that the enhanced ionic conductivity can be attributed to the increased connectivity of Na-rich channels because of the increased charge-compensated BOs around the Na atoms. Overall, this study provides new insights for designing next-generation glass-based electrolytes with superior ionic conductivity for Na-ion batteries}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.1c01280}, author = {Keshri, Shweta R. and Ganisetti, Sudheer and Kumar, Rajesh and Gaddam, Anuraag and Illath, Kavya and Ajithkumar, Thalasseril G. and Balaji, Sathravada and Annapurna, K. and Nasani, Narendar and Krishnan, N. M. Anoop and Allu, Amarnath R.} } @article {47728, title = {Lamellar bimetallic thiolates: synthesis, characterization, and their utilization for the preparation of bimetallic chalcogenide nanocrystals through mechanochemical grinding}, journal = {Advanced Materials Interfaces}, volume = {8}, year = {2021}, month = {DEC}, pages = {2100898}, type = {Article}, abstract = {Thiolates of single metal ions are known to exist as lamellar structures in the neat state and some of these metal thiolates can be delaminated into individual molecular sheets simply by adding a nonpolar organic solvent. It is established here that even bimetallic thiolates such as copper-indium thiolate and silver-indium thiolate exist as lamellar sheets. Each of these sheets consists of both metal ions arranged in a random fashion. It is also demonstrated that these bimetallic thiolates can be employed as single source precursors to prepare phase pure bimetallic chalcogenide nanocrystals (NCs) through mechanochemical routes by grinding them with an appropriate chalcogenide source. Notably, these bimetallic chalcogenide NCs, though synthesized in the absence of any solvent, get easily dispersed in nonpolar solvents as their surface is protected by the thiolate molecules released during the grinding process. These ternary NCs display a strong and tunable photoluminescence in the visible to near-infrared region. Based on detailed systematic studies it is concluded that to obtain phase pure bimetallic sulfide/selenide NCs bimetallic thiolates, consisting of both metal ions in each sheet, must be used as single source precursors and physical mixtures of individual thiolates do not afford such phase pure materials.}, keywords = {bimetallic chalcogenide nanocrystals, bimetallic thiolate, mechanochemical grinding}, issn = {2196-7350}, doi = {10.1002/admi.202100898}, author = {Bera, Abhijit and Pathak, Sushil S. and Kotha, Vishal and Prasad, V, Bhagavatula L.} } @article {47775, title = {Laser cladding of PAC 718, tribaloy T-700 and METCO 41 C hard facing powders on AISI SS 304L substrate}, journal = { Materials Science}, year = {2021}, month = {FEB}, type = {Article}, abstract = {The present investigation aims to deposit the three different hard facing powder (Triboloy T-700 and PAC 718, and TETCO 41 C) on SS 304L using laser cladding technique. The single and overlapped clad track was deposited using 2 kW laser power system. The optimized laser process parameters and 50\% overlap clad track was used to deposit a large surface area. The optimum laser process parameters were finalised using single clad structure study. The cross-sections of the clad layers were used to obtain the microstructure and micro-hardness from different regions namely, clad layer, diffusion layer, and substrate. Throughout the study, the laser power was kept constant i.e. 1.2 kW. For single clad deposition, the scanning speed and powder feed rate varied from 0.3 to 0.5 m/min and 4 to 9 g/min, respectively. T-700 and PAC 718 shows uniform developing micro-structure while METCO 41 C shows the development of mixed dendritic and cellular type microstructure. The Triboloy shows the maximum surface hardness of 534 Hv, 321 Hv for PAC 718, and 294 Hv for METCO 41 C.}, doi = {10.5829/IJE.2021.34.02B.20}, author = {More, S. R. and Bhatt, D. V. and Menghani, J. and Paul, C. P. and Desale, G. R.} } @article {47130, title = {Laser patterning of boron carbon nitride electrodes for flexible micro-supercapacitor with remarkable electrochemical stability/capacity}, journal = {Carbon}, volume = {171}, year = {2021}, month = {JAN}, pages = {750-757}, type = {Article}, abstract = {

High performance, all solid-state planar micro-supercapacitor (MSC) with interdigitated Boron carbon Nitride (BCN) electrodes are fabricated via fast, scalable laser patterning technique. Heteroatom doping desirably enhances the electrochemical activity of carbon electrodes. This BCN based micro-supercapacitor showed comparatively very high specific capacitance of 72 mFcm(-2) at a current density of 0.15 mAcm(-2). Even at a high current density of 1 mAcm(-2) device showed specific capacitance as high as 17 mFcm(-2). It has demonstrated excellent electrochemical stability when tested up to 80000 cycles without any sign of further decay in capacity/efficiency. This device showed stable capacity even after bending at 150 degrees angle, for 1500 times during cycling showing remarkable flexibility. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {BCN, Co-doping, Energy storage, Flexible, Laser patterning, Micro-supercapacitor}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.09.053}, author = {Karbhal, Indrapal and Basu, Aniruddha and Patrike, Apurva and Shelke, Manjusha V.} } @article {47418, title = {Lead-free zero dimensional tellurium(iv) chloride-organic hybrid with strong room temperature emission as a luminescent material}, journal = {Journal of Materials Chemistry C}, volume = {9}, year = {2021}, month = {MAR }, pages = {4351-4358}, type = {Article}, abstract = {

Despite the current progress in {\textquoteleft}Pb-free{\textquoteright} low dimensional main group metal halide based luminescent materials, it is challenging to synthesize Te(iv) halide hybrids with strong ambient emission with excitation features in the visible range as efficient and stable phosphors for potential lighting applications. Reported here is a (benzyltriethylammonium)(2)TeCl6 zero dimensional hybrid material with excitation features in the visible range and strong room temperature, broadband, intrinsic luminescence (PLQY similar to 15\%) arising due to self-trapped excitons (STEs). Furthermore, a proof-of-concept LED architecture demonstrates successful optical down-conversion with a visible light excitation source. Here, exclusive adoption of a {\textquoteleft}regular{\textquoteright} octahedral Te(iv)-halide unit structure with minimal static distortion provides a unique opportunity to unmask the role played by 5s(2) lone pair electrons in shaping the emissive properties. This effort may open up new avenues towards unravelling the role of lone pair stereoactivity in controlling the PLQY in low dimensional hybrids that has proven to be challenging for the reported (Sb, Sn) based low dimensional 5s(2) metal halide hybrid materials.

}, issn = {2050-7526}, doi = {10.1039/d0tc05752e}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Bahadur, Vir and Biswas, Chinmoy and Mali, Bhupendra P. and Raavi, Sai Santosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47685, title = {L-Histidine-derived smart antifouling biohybrid with multistimuli responsivity}, journal = {Biomacromolecules}, volume = {22}, year = {2021}, month = {SEP}, pages = {3941-3949}, type = {Article}, abstract = {A novel dual pH/thermoresponsive amphiphilic poly(histidine methacrylamide)-block-hydroxyl-terminated polybutadiene-block-poly(histidine methacrylamide) (PHisMAM-b-PB-b-PHisMAM) triblock copolymer biohybrid, composed of hydrophobic PB and ampholytic PHisMAM segments, is developed via direct switching from living anionic polymerization to recyclable nanoparticle catalyst-mediated reversible-deactivation radical polymerization (RDRP). The transformation involved in situ postpolymerization modification of living polybutadiene-based carbanionic species, end-capped with ethylene oxide, into dihydroxyl-terminated polybutadiene and a subsequent reaction with 2-bromo-2-methylpropionyl bromide resulting in a telechelic ATRP macroinitiator (Br-PB-Br). Br-PB-Br was used to mediate RDRP of an L-histidine-derived monomer, HisMAM, yielding a series of PHisMAM-b-PB-b-PHisMAM triblock copolymers. The copolymer{\textquoteright}s stimuli response was assessed against pH and temperature changes. The copolymer is capable of switching among its zwitterionic, anionic, and cationic forms and exhibited unique antifouling properties in its zwitterionic form. These novel triblock copolymers are expected to be show promising potential in biomedical applications.}, issn = {1525-7797}, doi = {10.1021/acs.biomac.1c00748}, author = {Mohammad, Sk Arif and Dolui, Subrata and Kumar, Devendra and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {47343, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis (vol 184, 112669, 2021)}, journal = {Phytochemistry}, volume = {187}, year = {2021}, month = {JUL}, pages = {112751}, type = {Correction}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112751}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, Hirekodathakallu V.} } @article {47033, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112669}, type = {Article}, abstract = {

Neem (Azadirachta indica L.) is well known for its medicinal, agricultural, and pesticidal applications since ages. The secondary metabolites, limonoids, confer these biological properties, wherein over 150 different limonoids have been reported from neem. To understand limonoid biosynthesis, we analyzed tissue-specific (kernel, pericarp, leaves, and flower) transcriptome that resulted in the identification of one farnesyl diphosphate synthase (AiFDS), one squalene synthase (AiSQS), three squalene epoxidases (AiSQE1, AiSQE2, and AiSQE3), two triterpene synthases (AiTTS1 and AiTTS2), cycloartenol synthase (AiCAS), two cytochrome P450 reductases, and ten cytochrome P450 systems. Comparative tissue-expression analysis indicated that AiFDS, AiSQS, AiSQE3, and AiTTS1 are expressed higher in the kernel than in the other tissues. Heterologously expressed recombinant AiTTS1 produced tirucalla-7,24-dien-3 beta-ol as the sole product. Expression profile data, phylogeny with triterpene synthases from Meliaceae and Rutaceae families, real-time PCR of different tissues, and transient transformation revealed the involvement of tirucalla-7,24-dien-3 beta-ol synthase (AiTTS1) in limonoid biosynthesis. Further, mutagenesis studies of AiTTS1 indicated that Y125 and F260 are probably involved in stabilization of dammarenyl cation. A 2.6-fold increase in production of tirucalla-7,24-dien-3 beta-ol was observed when AiSQE1 was coexpressed with mutant AiTTS1 in a yeast system. Furthermore, we functionally characterized the highly expressed cytochrome P450 reductases and cycloartenol synthase. This study helps in further analysis and identification of genes involved in limonoid biosynthesis in Meliaceae/Rutaceae and their production in a metabolically tractable heterologous system.

}, keywords = {24-dien-3 beta-ol, Azadirachta indica A. Juss., Cytochrome P450 system, Limonoids, Meliaceae, Tirucalla-7, Transcriptome}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112669}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, V. Hirekodathakallu} } @article {47058, title = {Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {FEB}, pages = {2354-2358}, type = {Article}, abstract = {

A selective and efficient route for the deoxygenative reduction of primary to tertiary amides to corresponding amines has been achieved with pinacolborane (HBpin) using simple and readily accessible 2,6-di-tert-butyl phenolate lithium center dot THF (1a) as a catalyst. Both experimental and DFT studies provide mechanistic insight.

}, issn = {1477-9226}, doi = {10.1039/d1dt00364j}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47406, title = {Lithium silicate nanosheets with excellent capture capacity and kinetics with unprecedented stability for high-temperature CO2 capture}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {APR }, pages = {4825-4835}, type = {Article}, abstract = {

An excessive amount of CO2 is the leading cause of climate change, and hence, its reduction in the Earth{\textquoteright}s atmosphere is critical to stop further degradation of the environment. Although a large body of work has been carried out for post-combustion low-temperature CO2 capture, there are very few high temperature pre-combustion CO2 capture processes. Lithium silicate (Li4SiO4), one of the best known high-temperature CO2 capture sorbents, has two main challenges, moderate capture kinetics and poor sorbent stability. In this work, we have designed and synthesized lithium silicate nanosheets (LSNs), which showed high CO2 capture capacity (35.3 wt\% CO2 capture using 60\% CO2 feed gas, close to the theoretical value) with ultra-fast kinetics and enhanced stability at 650 degrees C. Due to the nanosheet morphology of the LSNs, they provided a good external surface for CO2 adsorption at every Li-site, yielding excellent CO2 capture capacity. The nanosheet morphology of the LSNs allowed efficient CO2 diffusion to ensure reaction with the entire sheet as well as providing extremely fast CO2 capture kinetics (0.22 g g(-1) min(-1)). Conventional lithium silicates are known to rapidly lose their capture capacity and kinetics within the first few cycles due to thick carbonate shell formation and also due to the sintering of sorbent particles; however, the LSNs were stable for at least 200 cycles without any loss in their capture capacity or kinetics. The LSNs neither formed a carbonate shell nor underwent sintering, allowing efficient adsorption-desorption cycling. We also proposed a new mechanism, a mixed-phase model, to explain the unique CO2 capture behavior of the LSNs, using detailed (i) kinetics experiments for both adsorption and desorption steps, (ii) in situ diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy measurements, (iii) depth-profiling X-ray photoelectron spectroscopy (XPS) of the sorbent after CO2 capture and (iv) theoretical investigation through systematic electronic structure calculations within the framework of density functional theory (DFT) formalism.

}, issn = {2041-6520}, doi = {10.1039/d0sc06843h}, author = {Belgamwar, Rajesh and Maity, Ayan and Das, Tisita and Chakraborty, Sudip and Vinod, Chathakudath P. and Polshettiwar, Vivek} } @article {47649, title = {Lowering the C-H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations}, journal = {New Journal of Chemistry}, volume = {46}, year = {2021}, month = {DEC }, pages = {70-74}, type = {Article}, abstract = {Methane has long captured the world{\textquoteright}s attention for being the simplest yet one of the most notorious hydrocarbons. Exploring its potential to be converted into value-added products has raised compelling interest. In the present work, we have studied the efficiency of single-atom catalysts (SACs) for methane activation employing density functional theory (DFT). The climbing image-nudged elastic band (CI-NEB) method is used in tandem with the improved dimer (ID) method to determine the minimum energy pathway for the first C-H bond dissociation of methane. Our study reported that the transition-metal doped Cu(111) surfaces enhance the adsorption, activate the C-H bond, and reduce the activation barrier for first C-H bond cleavage of methane. The results suggest Ru-/Co-/Rh-doped Cu(111) as promising candidates for methane activation with a minimal activation barrier and a less endothermic reaction. For these SACs, the calculated activation barriers for the first C-H bond cleavage are 0.17 eV, 0.24 eV, and 0.26 eV respectively, which is substantially lower than 1.13 eV, the activation barrier for Cu(111).}, issn = {1144-0546}, doi = {10.1039/d1nj04525c}, author = {Bhati, Meema and Dhumal, Jignesh and Joshi, Kavita} } @article {47721, title = {Lsi2: A black box in plant silicon transport}, journal = {Plant and Soil}, volume = {466}, year = {2021}, month = {SEP}, pages = {1-20}, type = {Review}, abstract = {Background Silicon (Si) is widely considered a non-essential but beneficial element for higher plants, providing broad protection against various environmental stresses (both biotic and abiotic), particularly in species that can readily absorb the element. Two plasma-membrane proteins are known to coordinate the radial transport of Si (in the form of Si(OH)(4)) from soil to xylem within roots: the influx channel Lsi1 and the efflux transporter Lsi2. From a structural and mechanistic perspective, much more is known about Lsi1 (a member of the NIP-III subgroup of the Major Intrinsic Proteins) compared to Lsi2 (a putative Si(OH)(4)/H+ antiporter, with some homology to bacterial anion transporters). Scope Here, we critically review the current state of understanding regarding the physiological role and molecular characteristics of Lsi2. We demonstrate that the structure-function relationship of Lsi2 is largely uncharted and that the standing transport model requires much better supportive evidence. We also provide (to our knowledge) the most current and extensive phylogenetic analysis of Lsi2 from all fully sequenced higher-plant genomes. We end by suggesting research directions and hypotheses to elucidate the properties of Lsi2. Conclusions Given that Lsi2 is proposed to mediate xylem Si loading and thus root-to-shoot translocation and biosilicification, it is imperative that the field of Si transport focus its efforts on a better understanding of this important topic. With this review, we aim to stimulate and advance research in the field of Si transport and thus better exploit Si to improve crop resilience and agricultural output.}, keywords = {Efflux, Lsi2, Membrane transport, Root-to-shoot translocation, silicon, Xylem loading}, issn = {0032-079X}, doi = {10.1007/s11104-021-05061-1}, author = {Coskun, Devrim and Deshmukh, Rupesh and Shivaraj, S. M. and Isenring, Paul and Belanger, Richard R.} } @article {47681, title = {Magnetic and magnetoelastic properties of Ni-substituted cobalt ferrite}, journal = {IEEE Magnetics Letters}, volume = {12}, year = {2021}, month = {JAN}, pages = {2504205}, type = {Article}, abstract = {In this letter, magnetic and magnetostriction studies were performed on spinel ferrite Co1-xNixFe2O4 (CNF series) with 0.0 < x < 0.5. All the samples were synthesized by the conventional ceramic method and confirmed to be forming pure spinel phase. The unit cell parameter showed gradual decrease with increasing Ni content. A linear decrease in saturation magnetization (M-s) and coercivity (H-c) was observed with increasing Ni substitution, which could be attributed to reduced magneto-crystalline anisotropy. The room temperature magnetostriction studies revealed a slow decrease in maximum magnetostriction, and interestingly, for 20\% reduction of cobalt concentration, i.e., for x = 0.2, a magnetostrictive strain of -164 ppm and substantially high stress sensitivity of -56 x 10(-6) A(-1) m were observed, making Co0.8Ni0.2Fe2O4 suitable for application as a magnetostrictive stress-sensing material.}, keywords = {Ferrite, Magnetism in solids, Magnetostriction, oxide, stress sensing}, issn = {1949-307X}, doi = {10.1109/LMAG.2021.3120942}, author = {Bhame, Shekhar D. and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {47575, title = {Mechanical and microstructural studies in a polysaccharide-acrylate double network hydrogel}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {124}, year = {2021}, month = {DEC}, pages = {104839}, type = {Article}, abstract = {Polymeric hydrogels continue to find a wide range of applications. However, a major drawback of hydrogels is the lack of mechanical strength. In this regard, {\textquoteleft}{\textquoteleft}Double Network Hydrogels{\textquoteright}{\textquoteright} (DN) have shown great promise recently. The toughness in DN hydrogels originates from the synergistic effect of two polymeric networks. In this work, we have synthesized a DN hydrogel consisting of a tightly cross linked carboxymethylcellulose (CMC) as the first network and loosely cross linked poly(hydroxyethylacrylate) (PHEA) as a second network (CMC-PHEADN). The required flexibility in the second network (PHEA) was induced by the presence of a small amount of stearyl methacrylate (SM) as a co-monomer in hydroxyl ethyl acrylate (HEA). The compressive strength of the CMC-PEHA-DN hydrogel was found to be 280 times more than that of CMC-SN hydrogel, and the presence of SM in DN hydrogels showed better recovery after deformation. Cell viability studies showed the biocompatibility of DN hydrogels. The micro-structural analysis of DN xerogels by 3D X-ray Microtomography indicated the presence of oriented pores in size range of 30-40 mu m. To the best of our knowledge, Microtomography was used for the first time to study the DN gels. These hydrogels can be used to develop implants that can withstand prolonged stress and expand the life span of implants.}, keywords = {Carboxymethyl cellulose, Double network hydrogels, Poly(hydroxyethyl acrylate), Poly(hydroxyethyl-co-stearyl methacrylate)}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2021.104839}, author = {Torris, Arun and Nair, Sanoop and Mol, K. P. Raji and Sengupta, Poulomi and Badiger, Manohar} } @article {47435, title = {Mechanical properties of anodic titanium dioxide nanostructures}, journal = {Materiali in Tehnologije}, volume = {55}, year = {2021}, month = {JAN}, pages = {19-24}, type = {Article}, abstract = {

Highly ordered and uniform titanium dioxide (TiO2) nanotubes (NTs) with different morphologies (15 nm, 50 nm and 100 nm in diameter) were prepared by the electrochemical anodization of Ti substrates. The TiO2 NTs{\textquoteright} surface properties were characterized by X-ray diffraction (XRD) spectroscopy, Raman spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The elastic modulus (E) and the Vickers hardness (HV) of the Ti foil and of the different-morphology TiO2 NTs were evaluated with the nano-indentation technique. E and HV increase with the decreasing length/diameter of the NTs, meaning that NTs with smaller diameters are more resistant to mechanical wear. The elastic modulus of the TiO2 NTs with 15-nm and 50-nm diameters is similar to that of the human bone.

}, keywords = {Elastic modulus, mechanical properties, titanium dioxide (TiO2) nanotubes, Vickers hardness}, issn = {1580-2949}, doi = {10.17222/mit.2020.109}, author = {Kulkarni, Mukta and Sepitka, Josef and Junkar, Ita and Bencina, Metka and Rawat, Niharika and Mazare, Anca and Rode, Chandrashekhar and Gokhale, Suresh and Schmuki, Patrik and Daniel, Matej and Iglic, Ales} } @article {47119, title = {Metal halide structure and the extent of distortion control the photo-physical properties of luminescent zero dimensional organic-antimony(iii) halide hybrids}, journal = {Journal of Materials Chemistry C}, volume = {9}, year = {2021}, month = {JAN }, pages = {348-358}, type = {Article}, abstract = {

Antimony(iii) halide based zero dimensional hybrids have gained attention as broadband emitters. Until now, quadrangular pyramidal SbX5 based and octahedral SbX6 based 0D hybrids have been reported utilizing different organic ligands demonstrating some structural tunability affecting their emissive properties. Utilizing a common organic ligand, here we demonstrate the structural tunability (quadrangular pyramidal, octahedral, or a combination thereof) of the metal halide unit in Sb(iii)Cl 0D hybrids with contrasting photo-physical properties (broadband, Stokes shift, strong/weak colored emission). The structure-property-mechanism correlation of the synthesized compounds [1 (C12H52Cl18N8O4Sb3; tris Sb green); 2 (C12H50Cl14N8O3Sb2; tris Sb red); 3 (C24H88Cl25N16O4Sb3; tris Sb yellow)] identifies crucial factors that control their emissive properties. The X-ray analysis reveals the structure (1-octahedral; 2-quadrangular pyramidal; 3-combination thereof) and the order of the extent of structural distortion as 1-3 MUCH LESS-THAN 2. The metal halide coordination environment asymmetry and its structure are observed to dictate PL emission energy (1-green; 2-red; 3-yellow) as supported by a qualitative Molecular Orbital scheme. The extent of structural distortion guides the observed Stokes shifts (1-165 nm; 2-290 nm; 3-200 nm; 1-3 \< 2). Interestingly, the extent of distortion is found to be well correlated with the observed PLQY (1-45\%; 2-6\%; 3-43\%; 1-3 \>\> 2). This report clearly demonstrates the structural tunability and the effect of the metal halide unit structure/distortion in shaping the emissive properties of 0D organic Sb(iii) halide hybrids.

}, issn = {2050-7526}, doi = {10.1039/d0tc03440a}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Mali, Bhupendra P. and Bahadur, Vir and Biswas, Chinmoy and Raavi, Sai Santosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47364, title = {Methylation as a key regulator of Tau aggregation and neuronal health in Alzheimer{\textquoteright}s disease}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {MAY }, pages = {51}, type = {Review}, abstract = {

Neurodegenerative diseases like Alzheimer{\textquoteright}s, Parkinson{\textquoteright}s and Huntington{\textquoteright}s disease involves abnormal aggregation and accumulation of toxic proteins aggregates. Post-translational modifications (PTMs) of the causative proteins play an important role in the etiology of disease as they could either slow down or accelerate the disease progression. Alzheimer disease is associated with the aggregation and accumulation of two major protein aggregates-intracellular neurofibrillary tangles made up of microtubule-associated protein Tau and extracellular Amyloid-beta plaques. Post-translational modifications are important for the regulation of Tau{\textquoteleft}s function but an imbalance in PTMs may lead to abnormal Tau function and aggregation. Tau methylation is one of the important PTM of Tau in its physiological state. However, the methylation signature on Tau lysine changes once it acquires pathological aggregated form. Tau methylation can compete with other PTMs such as acetylation and ubiquitination. The state of PTM at these sites determines the fate of Tau protein in terms of its function and stability. The global methylation in neurons, microglia and astrocytes are involved in multiple cellular functions involving their role in epigenetic regulation of gene expression via DNA methylation. Here, we have discussed the effect of methylation on Tau function in a site-specific manner and their cross-talk with other lysine modifications. We have also elaborated the role of methylation in epigenetic aspects and neurodegenerative conditions associated with the imbalance in methylation metabolism affecting global methylation state of cells.

}, keywords = {Aggregation, Epigenetics, methylation, Methyltransferases, post-translational modifications, Tau}, doi = {10.1186/s12964-021-00732-z}, author = {Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {47359, title = {Microscopic theory of softness in supercooled liquids}, journal = {Physical Review Letters}, volume = {126}, year = {2021}, month = {MAY }, pages = {208001}, type = {Article}, abstract = {

We introduce a new measure of the structure of a liquid which is the softness of the mean-field potential developed by us earlier. We find that this softness is sensitive to small changes in the structure. Then, we study its correlation with the supercooled liquid dynamics. The study involves a wide range of liquids (fragile, strong, attractive, repulsive, and active) and predicts some universal behaviors such as the softness being linearly proportional to the temperature and inversely proportional to the activation barrier of the dynamics with system dependent proportionality constants. We establish a master equation between the dynamics and the softness parameter and show that, indeed, the dynamics, when scaled by the temperature and system dependent parameters, show a data collapse when plotted against softness. The dynamics of fragile liquids show a strong softness dependence, whereas that of strong liquids show a much weaker softness dependence. We also connect the present study with the earlier studies of softness involving machine learning (ML), thus, providing a theoretical framework for understanding the ML results.

}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.126.208001}, author = {Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {46681, title = {Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-beta zeolite in aqueous media}, journal = {Environmental Progress \& Sustainable Energy}, volume = {40}, year = {2021}, month = {JAN}, pages = {e13530}, type = {Article}, abstract = {

The sulfonated H-beta zeolite was successfully prepared and used for the synthesis of levulinic acid (LA) fromD-fructose. The catalyst was characterized by powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, N-2 physisorption, NH3-temperature programmed desorption and carbon-hydrogen-nitrogen-sulfur analysis. The total acid amount is increased with increase in sulfur loading, confirmed that the sulfonic acid group (SO3-H) is successfully grafted onto zeolite structure. The various parameters such as different amount of sulfur loading, reaction temperature, time, catalyst loading was studied for selective production of LA. The catalytic activity of sulfonated H-beta (S-beta) zeolite was found to be efficient for synthesis of LA from D-fructose in aqueous media. Maximum LA yield of 43.5 mol\%, low HMF yield (\<1\%) with 98.15\% fructose conversion was obtained with 3\% S-beta catalyst at 160 degrees C for 7 hr. The catalyst was reusable for minimum three times by H2O2 regeneration. This study provides the new zeolitic catalyst for the efficient production of LA at shorter reaction time (7 hr) and low catalyst to substrate ratio (0.7:1).

}, keywords = {conversion, D-fructose, H-beta, HMF, levulinic acid, sulfonated zeolite, yield}, issn = {1944-7442}, doi = {10.1002/ep.13530, Early Access Date = OCT 2020}, author = {Bisen, Swapneel K. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Simakova, Irina and Bokade, Vijay V.} } @article {47811, title = {Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-β zeolite in aqueous media}, journal = {Environmental Progress \& Sustainable Energy}, volume = {40}, year = {2021}, month = {FEB}, pages = {e13530}, type = {Article}, abstract = {Abstract The sulfonated H-β zeolite was successfully prepared and used for the synthesis of levulinic acid (LA) from D-fructose. The catalyst was characterized by powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, N2 physisorption, NH3-temperature programmed desorption and carbon{\textendash}hydrogen{\textendash}nitrogen{\textendash}sulfur analysis. The total acid amount is increased with increase in sulfur loading, confirmed that the sulfonic acid group (SO3-H) is successfully grafted onto zeolite structure. The various parameters such as different amount of sulfur loading, reaction temperature, time, catalyst loading was studied for selective production of LA. The catalytic activity of sulfonated H-β (S-β) zeolite was found to be efficient for synthesis of LA from D-fructose in aqueous media. Maximum LA yield of 43.5 mol\%, low HMF yield (<1\%) with 98.15\% fructose conversion was obtained with 3\% S-β catalyst at 160{\textdegree}C for 7 hr. The catalyst was reusable for minimum three times by H2O2 regeneration. This study provides the new zeolitic catalyst for the efficient production of LA at shorter reaction time (7 hr) and low catalyst to substrate ratio (0.7:1).}, keywords = {conversion, D-fructose, H-β, HMF, levulinic acid, sulfonated zeolite, yield}, doi = {10.1002/ep.13530}, url = {https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/ep.13530}, author = {Bisen, Swapneel K. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Simakova, Irina and Bokade, Vijay V.} } @article {47032, title = {Molecular insights of fungal endophyte co-inoculation with Trichoderma viride for the augmentation of forskolin biosynthesis in Coleus forskohlii}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112654}, type = {Article}, abstract = {

To understand the compatibility of three native endophytic fungi Phialemoniopsis cornearis (SF1), Macrophomina pseudophaseolina (SF2) and Fusarium redolens (RF1) with Trichoderma viride (TV1) on Coleus forskohlii in enhancing plant growth and forskolin content, field experiments were conducted. Co-inoculation of RF1+TV1 showed significant improvement in plant growth (52\%), root biomass (67\%), and in planter forskolin content (94\%), followed by treatment with SF2+TV1 and SF1+TV1. qRT-PCR was carried out to quantify expression of five key forskolin biosynthetic pathway genes (CfTPS2, CfTPS3, CfTPS4, CfCYP76AH15, and CfACT1-8) in RF1+TV1 treated C. forskohlii plants. Elevated expression of CfTPS2, CfTPS4, CfCYP76AH15 and CfACT1-8 genes was observed with RF1+TV1 combination as compared to uninoculated C. forskohlii plants. Besides, RF1+TV1 treatment considerably reduced the severity of nematode infection of C. forskohlii plants under field conditions. Thus, congruent properties of F. redolens (RF1) were witnessed with co-inoculation of T. viride (TV1) under field conditions which resulted in enhanced forskolin content, root biomass, and reduced nematode infections in C. forskohlii. Overall, this approach could be an economical and sustainable step towards cultivation of commercially important medicinal plants.

}, keywords = {Co-inoculation, Coleus forskohlii, endophytes, Forskolin, Lamiaceae, Trichoderma viride}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112654}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed G. and Babu, C. S. Vivek} } @article {47095, title = {Molecular investigation of glycated insulin-induced insulin resistance via insulin signaling and AGE-RAGE axis}, journal = {Biochimica ET Biophysica Acta-Molecular Basis of Disease}, volume = {1867}, year = {2021}, month = {FEB }, pages = {166029}, type = {Article}, abstract = {

Hyperglycemic condition in diabetes promotes glycation of various plasma proteins including insulin. Glycation of insulin has been reported to reduce its biological activity. Reduced biological activity of glycated insulin could be either due to reduced affinity for the insulin receptor and impaired insulin signaling, or it can act as a ligand for the receptor for advanced glycation end products (RAGE) and activates oxidative stress and pro-inflammatory pathways leading to insulin resistance. This study investigates the effect of glycated insulin on both insulin and RAGE signaling. Glycated insulin treatment to Chinese hamster ovary (CHO-IR-GLUT4) cells stably expressing insulin receptor (IR) and glucose transporter fused with a green fluorescent protein (GLUT4-GFP) resulted in the impairment of insulin signaling, as the phosphorylation of IR and AKT significantly reduced, which affected GLUT4 translocation and glucose uptake. Moreover, it also activated RAGE signaling as observed by increased expression of NADPH oxidase accompanied by an increase in reactive oxygen species (ROS). Immunofluorescence study indicated the translocation of NF-kappa B to the nucleus upon treatment of glycated insulin. This was associated with increased RAGE expression, Caspase 3, and cell death. Downregulation of RAGE with the losartan treatment restored the impaired insulin signaling and glucose uptake. Additionally, in silico study demonstrated that glycated insulin has reduced binding affinity to insulin receptor and increased binding affinity to RAGE. Overall, this study demonstrates the role of glycated insulin in exacerbating insulin resistance by impairing insulin signaling as well as stimulating AGE-RAGE signaling.

}, keywords = {AGE, Diabetes, Glycation, Hyperglycemia, insulin, RAGE}, issn = {0925-4439}, doi = {10.1016/j.bbadis.2020.166029}, author = {Walke, Prachi B. and Bansode, Sneha B. and More, Nikita P. and Chaurasiya, Arvindkumar H. and Joshi, Rakesh S. and Kulkarni, Mahesh J.} } @article {47104, title = {Myristic acid derived sophorolipid: efficient synthesis and enhanced antibacterial activity}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {JAN}, pages = {1273-1279}, type = {Article}, abstract = {

Microbial glycolipids are one of the most interesting alternatives to chemical-based surfactants as they exhibit improved biodegradability and less toxicity. However, their potential has been limited because of specificity of the yeast toward fatty acids having a carbon 16 or carbon 18 chain. This study focuses on sophorolipid (SL) production by the yeast Starmerella bombicola using myristic acid, a medium-chain carbon-14 fatty acid that has not been used as a substrate for SL production. The production was optimized for inoculum size and lipophilic substrate concentration. Furthermore, we also studied the effect of medium-chain fatty acid on yeast cell growth and optimized the process for excellent yield. The myristic acid SL (MASL) so synthesized consisted of mono- and diacetylated forms with preferential glycosylation at the methyl end group, as determined by high-resolution mass spectrometry. Individual congeners of the crude mixture were separated using dry column chromatography and then structurally characterized by mass spectrometry. The synthesized MASL was also shown to have promising surface tension, lowering abilities with a low CMC of 14 mg/L. The SL derived from myristic acid exhibited superior antibacterial activity as compared to SL derived from oleic acid. MASL was also found to be more potent against Gram-positive organisms as compared to Gram-negative organisms. This work, therefore, demonstrates successful synthesis of myristic acid-derived SL and its superior antibacterial activity, establishing a promising future for this biosurfactant.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c04683}, author = {Abhyankar, Isha and Sevi, Ganesh and Prabhune, Asmita A. and Nisal, Anuya and Bayatigeri, Santhakumari} } @article {47386, title = {NHC-catalyzed desymmetrization of N-aryl maleimides leading to the atroposelective synthesis of N-Aryl succinimides}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {MAY }, pages = {12264-12268}, type = {Article}, abstract = {

Although the construction of axially chiral C-C bonds leading to the atroposelective synthesis of biaryls and allied compounds are well-known, the related synthesis of compounds bearing axially chiral C-N bonds are relatively rare. Described herein is the N-heterocyclic carbene-catalyzed atroposelective synthesis of N-aryl succinimides having an axially chiral C-N bond via the desymmetrization of N-aryl maleimides. The NHC involved intermolecular Stetter-aldol cascade of dialdehydes with prochiral N-aryl maleimides followed by oxidation afforded N-aryl succinimides in good yields and ee values. Preliminary studies on rotation barrier for the C-N bond, the temperature dependence, and detailed DFT studies on mechanism are also provided.

}, keywords = {asymmetric catalysis, axial chirality, desymmetrization, N-heterocyclic carbenes, organocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202016938, Early Access Date = APR 2021}, author = {Barik, Soumen and Shee, Sayan and Das, Soumik and Gonnade, Rajesh G. and Jindal, Garima and Mukherjee, Subrata and Biju, Akkattu T.} } @article {47116, title = {One-pot cascade conversion of renewable furfural to levulinic acid over a bifunctional H3PW12O40SiO2 catalyst in the absence of external H-2}, journal = {Energy \& Fuels}, volume = {35}, year = {2021}, month = {JAN }, pages = {539-545}, type = {Article}, abstract = {

The conversion of biomass-derived furfural (FUR) to levulinic acid (LA), a versatile platform chemical, involves catalytic hydrogenation of FUR followed by acid hydrolysis to LA. However, this two-step process demands expensive separation and purification of the furfuryl alcohol (FAL) intermediate. Herein, we demonstrate an ingenious catalytic strategy for the one-pot cascade conversion of FUR to LA over a bifunctional catalyst without using pure external H-2. Isopropyl alcohol (IPA) served a dual role as a hydrogen donor and solvent while inhibiting the side reactions. Catalysts with a tunable surface area and acidity were synthesized by impregnating different percentages of H3PW12O40 (heteropolyacid) over a SiO2 support. The bifunctionality of the H3PW12O40/SiO2 catalyst is ascribed to the mutual coexistence of Lewis and Brvinsted acid sites. The Lewis acid sites imparted by active W metal sites adsorb hydrogen proton for catalytic transfer hydrogenation of FUR to FAL, while the predominant Brvinsted acid sites catalyze the hydrolysis of FAL to LA. Consequently, H3PW12O40/SiO2 revealed to be a potential catalyst producing an similar to 51\% LA yield under optimized reaction conditions. Moreover, the catalyst was found to be reusable for three catalytic cycles. This study paves the way to develop future biorefinery, particularly direct conversion of FUR to LA over a bifunctional catalyst with a liquid H-donor, in an environmentally benign manner and comply with the green chemistry principles.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.0c03326}, author = {Nandiwale, Kakasaheb Y. and Vishwakarma, Mona and Rathod, Simmy and Simakova, Irina and Bokade, Vijay V.} } @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 {47648, title = {Organoruthenium (II) complexes featuring pyrazole-linked thiosemicarbazone ligands: synthesis, DNA/BSA interactions, molecular docking, and cytotoxicity studies}, journal = {Applied Organometallic Chemistry}, volume = {35}, year = {2021}, month = {OCT}, pages = {e6343}, type = {Article}, abstract = {A series of pyrazol-derived thiosemicarbazone ligands (L1-L4) were synthesized and reacted with [Ru(p-cymene)(mu-Cl)Cl](2) to yield a series of {\textquoteleft}{\textquoteleft}piano-stool{\textquoteright}{\textquoteright}-type binuclear ruthenium (II)-arene-thiosemicarbazone complexes (C1-C8) of the general type [(Ru(eta(6)-p-cym)L)(2)(mu-im/azpy)] Cl1-2 (L = diphenylpyrazole thiosemicarbazone; cym = p-cymene; im = imidazole; azpy = 4,4 {\textquoteleft}-azopyridine). The thiosemicarbazone ligands act as N and S donors binding to the Ru(II) center via the imine nitrogen and the thione sulfur atoms. The complexes were characterized by NMR, FTIR, UV-Vis spectroscopy, and ESI+ mass spectrometry. The binding of the complexes to calf thymus deoxyribonucleic acid (CT-DNA) and bovine serum albumin (BSA) was evaluated, and it has been established that the binuclear complexes have good binding efficacies with DNA (K-b = 10(4)-10(5) M-1) and BSA (K-a = 10(5)-10(6) M-1). This is attributed to the arene moieties present in the ligands of the complexes that can have hydrophobic interactions with DNA/BSA. Ethidium bromide (EB) displacement studies and DNA viscosity measurements revealed intercalative interaction of the complexes with DNA. Static interaction of the complexes with BSA was revealed by fluorescence quenching studies. Molecular docking studies confirmed base stacking, H-bonding, and hydrophobic interactions with the biomolecules. In vitro antiproliferative studies of the complexes affirmed that the complexes are cytotoxic towards the HeLa (human cervical cancer) cell line with IC50 values in range of 17.3-41.3 mu M.}, keywords = {Binuclear ruthenium (II) complexes, BSA binding interactions, DNA, HeLa human cervical carcinoma, pyrazole-derived thiosemicarbazone}, issn = {0268-2605}, doi = {10.1002/aoc.6343}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Banerjee, Devjani and Vohra, Aliasgar and Devkar, Ranjitsinh and Chakraborty, Debjani} } @article {47749, title = {On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {SEP}, pages = {15292-15300}, type = {Article}, abstract = {We elucidate the crucial role of the cetyl trimethylammonium bromide (CTAB) surfactant in the anisotropic growth mechanism of gold nano-bipyramids, nano-objects with remarkable optical properties and high tunability. Atomistic molecular dynamics simulations predict different surface coverages of the CTAB (positively charged) heads and their (bromide) counterions as function of the gold exposed surfaces. High concentration of CTAB surfactant promotes formation of gold nanograins in solution that work as precursors for the smooth anisotropic growth of more elongated nano-bipyramidal objects. Nanobipyramids feature higher index facets with respect to nanorods, allowing higher CTAB coverages that stabilize their formation and leading to narrower inter-micelles channels that smooth down their anisotropic growth. Absorption spectroscopy and scanning electron microscopy confirmed the formation of nanograins and demonstrated the importance of surfactant concentration on driving the growth towards nano-bipyramids rather than nanorods. The outcome explains the formation of the monodisperse bipyramidal nano-objects, the origin of their controlled shapes and sizes along with their remarkable stability.}, issn = {2040-3364}, doi = {10.1039/d1nr01768c}, author = {Meena, Santosh Kumar and Lerouge, Frederic and Baldeck, Patrice and Andraud, Chantal and Garavelli, Marco and Parola, Stephane and Sulpizi, Marialore and Rivalta, Ivan} } @article {46700, title = {Oxime ligands for Pd catalysis of the mizoroki-heck reaction, suzuki-miyaura coupling \& annulation reactions}, journal = {Synthetic Communications}, volume = {51}, year = {2021}, month = {JAN }, pages = {308-316}, type = {Article}, abstract = {

Monodentate and bidentate chelating oximes are readily available ligands for the Pd catalysis of the Mizoroki-Heck reaction and the Suzuki coupling. High yields were obtained in the Suzuki coupling in aqueous dioxane with TBABr as additive. The oximes can be easily synthesized from the corresponding ketones or aldehydes and thus provide a very large number of nitrogen-based ligands. They have the advantage of not undergoing oxidative degradation, common for phosphine ligands. Chelating oximes with Pd(OAc)(2), activate aryl iodides to give high yields of the substitution products in the Mizoroki-Heck reactions as well as the Suzuki coupling. Acetophenone oxime ligand with Pd(OAc)(2), catalyzed the reaction of aryl iodides with 1,2-disubstituted alkenes in moderate to high yields. As a test example, the LaRock indole annulation and synthesis of isocoumarin were achieved with acetophenone oxime ligand and Pd(OAc)(2)in high yields.

}, keywords = {Isocoumarin, LaRock annulation, Mizoroki-Heck reaction, oximes, Suzuki coupling}, issn = {0039-7911}, doi = {10.1080/00397911.2020.1826969, Early Access Date = SEP 2020}, author = {Bangar, Pronnoy G. and Nahide, Pradip D. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47816, title = {Oxime ligands for Pd catalysis of the mizoroki{\textendash}heck reaction, Suzuki{\textendash}Miyaura coupling \& annulation reactions}, journal = {Synthetic Communications}, volume = {51}, year = {2021}, month = {JAN}, pages = {308-316}, type = {Article}, abstract = {AbstractMonodentate and bidentate chelating oximes are readily available ligands for the Pd catalysis of the Mizoroki{\textendash}Heck reaction and the Suzuki coupling. High yields were obtained in the Suzuki coupling in aqueous dioxane with TBABr as additive. The oximes can be easily synthesized from the corresponding ketones or aldehydes and thus provide a very large number of nitrogen-based ligands. They have the advantage of not undergoing oxidative degradation, common for phosphine ligands. Chelating oximes with Pd(OAc)2, activate aryl iodides to give high yields of the substitution products in the Mizoroki{\textendash}Heck reactions as well as the Suzuki coupling. Acetophenone oxime ligand with Pd(OAc)2, catalyzed the reaction of aryl iodides with 1,2-disubstituted alkenes in moderate to high yields. As a test example, the LaRock indole annulation and synthesis of isocoumarin were achieved with acetophenone oxime ligand and Pd(OAc)2 in high yields.}, doi = {10.1080/00397911.2020.1826969}, author = {Bangar, Pronnoy G. and Nahide, Pradip D. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47698, title = {Ozone assisted autohydrolysis of wheat bran enhances xylooligosaccharide production with low generation of inhibitor compounds: a comparative study}, journal = {Bioresource Technology}, volume = {338}, year = {2021}, month = {OCT}, pages = {125559}, type = {Article}, abstract = {In the present study, ozone assisted autohydrolysis (OAAH) was evaluated for enhanced generation of xylooligosaccharide (XOS) from wheat bran. The total XOS yield with optimum ozone dose of 3\% (OAAH-3) was found to be 8.9\% (w/w biomass) at 110 degrees C in comparison to 7.96\% at 170 degrees C by autohydrolysis (AH) alone. Although, there was no significant difference in oligomeric composition (DP 2-6), significant decrease in degradation products namely furfural (2.78-fold), HMF (3.15-fold), acrylamide (nil) and acetic acid (1.06-fold), was observed with OAAH-3 as a pretreatment option. There was 1-fold higher xylan to XOS conversion and OAAH-hydrolysate had higher DPPH radical scavenging activity than AH. PCA plots indicated clear enhancement in XOS production and lower generation of inhibitors with decrease in treatment temperature. Results of the study therefore suggest OAAH can be an effective pretreatment option that can further be integrated with downstream processing for concentration and purification of XOS.}, keywords = {Advanced oxidation, Agro-industry waste, hydrothermal treatment, Ozonolysis, Xylooligosaccharide}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.125559}, author = {Sonkar, Rutuja Murlidhar and Gade, Pravin Savata and Bokade, Vijay and Mudliar, Sandeep N. and Bhatt, Praveena} } @article {47778, title = {Performance of Aspergillus niger (NCIM 563) phytase based feed supplement for broiler growth and phosphorus excretion}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {31}, year = {2021}, month = {JAN}, pages = {101887}, type = {Article}, abstract = {Despite availability of commercial enzymes, the phytase produced from relatively inexpensive systems with high yields are gaining global attention in the feed industries in post-antibiotic era. We studied A. niger NCIM 563 Phytase produced in solid state fermentation (SSF) derived Koji powder and evaluated its utility in the poultry feed for broiler growth performance and phosphorous (P) excretion. The ability of phytase in the dried powder was estimated to dephytinize the poultry feed under simulated gastric conditions. Poultry feed was formulated using A. niger NCIM 563 phytase followed by a 42 days feed trial on broilers. After supplementation of phytase to the diet, there was a reduction of dietary P, maintained growth performance, skeletal development of broilers and reduced levels of phytic acid and available P in the litter. Extracellular phytase was able to replace up to 0.1\% P in poultry feed. Minimal downstream processing a low-cost feed supplement with significant phytase activity could provide added advantage for anti-nutrition free poultry feed.}, keywords = {Phosphorus, Phytase, Poultry feed, Solid state fermentation}, isbn = {1878-8181}, doi = {10.1016/j.bcab.2020.101887}, url = {https://www.sciencedirect.com/science/article/pii/S1878818120319186}, author = {Puppala, Kumar Raja and Buddhiwant, Priyanka G. and Agawane, Sachin B. and Kadam, Avinash S. and Mote, Chandrashekhar S. and Lonkar, Vijaysinh D. and Khire, Jayant M. and Dharne, Mahesh S.} } @inbook {47436, title = {Perspective on perovskite solar cells}, booktitle = {New Research Directions in Solar Energy Technologies}, year = {2021}, pages = {55-151}, publisher = {Springer}, organization = {Springer}, doi = {10.1007/978-981-16-0594-9_4}, author = {Bhaumik, Saikat and Saha, Sudip K. and Rath, Arup K.} } @article {47704, title = {Phosphine-free manganese(II)-catalyst enables acceptorless dehydrogenative coupling of alcohols with indoles}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {SEP }, pages = {4430-4439}, type = {Article}, abstract = {Herein, an air-stable, molecularly defined NNN-Mn(II) pincer complex catalyzed acceptorless dehydrogenative coupling of alcohols with indoles is reported. A wide variety of symmetrical and unsymmetrical bis(indolyl)methane derivatives as well as some structurally important products such as Vibrindole A, Turbomycin B alkaloid, Antileukemic, and Anticancer agents were synthesized. Mechanistic studies illustrate the importance of the NH moiety in the complex and the crucial role of metal-ligand cooperation during catalysis.}, keywords = {acceptorless dehydrogenation, Alcohol, Indole, manganese, phosphine-free}, issn = {1615-4150}, doi = {10.1002/adsc.202100621}, author = {Yadav, Vinita and Balaraman, Ekambaram and Mhaske, Santosh B.} } @article {47594, title = {Phosphite mediated asymmetric N to C migration for the synthesis of chiral heterocycles from primary amines}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {JUL}, pages = {8996-9003}, type = {Article}, abstract = {A phosphite mediated stereoretentive C-H alkylation of N-alkylpyridinium salts derived from chiral primary amines was achieved. The reaction proceeds through the activation of the N-alkylpyridinium salt substrate with a nucleophilic phosphite catalyst, followed by a base mediated [1,2] aza-Wittig rearrangement and subsequent catalyst dissociation for an overall N to C-2 alkyl migration. The scope and degree of stereoretention were studied, and both experimental and theoretical investigations were performed to support an unprecedented aza-Wittig rearrangement-rearomatization sequence. A catalytic enantioselective version starting with racemic starting material and chiral phosphite catalyst was also established following our understanding of the stereoretentive process. This method provides efficient access to tertiary and quaternary stereogenic centers in pyridine systems, which are prevalent in drugs, bioactive natural products, chiral ligands, and catalysts.}, issn = {2041-6520}, doi = {10.1039/d1sc01217g}, author = {Rani, Soniya and Dash, Soumya Ranjan and Bera, Asish and Alam, Md Nirshad and Vanka, Kumar and Maity, Pradip} } @article {47687, title = {Photoinduced multicomponent regioselective synthesis of 1,4,5-trisubstituted-1,2,3-triazoles: transition metal-, azide- and oxidant-free protocol}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {JUL }, pages = {3560-3565}, type = {Article}, abstract = {A transition metal- and azide-free approach is explored to synthesize 1,4,5-trisubstituted-1,2,3-triazoles under sunlight. The reaction proceeds via C-N and N-N bond formations. These regioselective 1,2,3-triazoles are obtained from isatin Schiff bases, benzaldehydes and tosylhydrazine in the presence of base. This protocol offers the structurally diverse 1,2,3-triazole derivatives with 75-90\% yields.}, keywords = {1, 2, 3-triazoles, 4, 5-trisubstituted-1, azide- and oxidant free protocol, Cycloaddition, milder reaction conditions, molecular diversity, Multicomponent reaction, Regioselectivity, transition metal-}, issn = {1615-4150}, doi = {10.1002/adsc.202100321}, author = {Sai Allaka, Bhargava and Basavoju, Srinivas and Rama Krishna, Gamidi} } @article {47710, title = {Plasma-derived extracellular vesicles reveal galectin-3 binding protein as potential biomarker for early detection of glioma}, journal = {Frontiers in Oncology}, volume = {11}, year = {2021}, month = {NOV 26}, pages = {778754}, type = {Article}, abstract = {{Gliomas are the most common type of the malignant brain tumor, which arise from glial cells. They make up about 40\% of all primary brain tumors and around 70\% of all primary malignant brain tumors. They can occur anywhere in the central nervous system (CNS) and have a poor prognosis. The average survival of glioma patients is approximately 6-15 months with poor aspects of life. In this edge, identification of proteins secreted by cancer cells is of special interest because it may provide a better understanding of tumor progression and provide early diagnosis of the diseases. Extracellular vesicles (EVs) were isolated from pooled plasma of healthy controls (n=03) and patients with different grades of glioma (Grade I or II or III}, keywords = {blood-based biomarker, early detection, galectin-3 binding protein, plasma-derived extracellular vesicles, proteomics}, issn = {2234-943X}, doi = {10.3389/fonc.2021.778754}, author = {Rana, Rashmi and Chauhan, Kirti and Gautam, Poonam and Kulkarni, Mahesh and Banarjee, Reema and Chugh, Parul and Chhabra, Satnam Singh and Acharya, Rajesh and Kalra, Samir Kumar and Gupta, Anshul and Jain, Sunila and Ganguly, Nirmal Kumar} } @article {47433, title = {Polycomb group methyltransferase StE(z)2 and deposition of H3K27me3 and H3K4me3 regulate the expression of tuberization genes in potato}, journal = {Journal of Experimental Botany}, volume = {72}, year = {2021}, month = {FEB }, pages = {426-444}, type = {Article}, abstract = {

Polycomb repressive complex (PRC) group proteins regulate various developmental processes in plants by repressing target genes via H3K27 trimethylation, and they function antagonistically with H3K4 trimethylation mediated by Trithorax group proteins. Tuberization in potato has been widely studied, but the role of histone modifications in this process is unknown. Recently, we showed that overexpression of StMSI1, a PRC2 member, alters the expression of tuberization genes in potato. As MSI1 lacks histone-modification activity, we hypothesized that this altered expression could be caused by another PRC2 member, StE(z)2, a potential H3K27 methyltransferase in potato. Here, we demonstrate that a short-day photoperiod influences StE(z)2 expression in the leaves and stolons. StE(z)2 overexpression alters plant architecture and reduces tuber yield, whereas its knockdown enhances yield. ChIP-sequencing using stolons induced by short-days indicated that several genes related to tuberization and phytohormones, such as StBEL5/11/29, StSWEET11B, StGA2OX1, and StPIN1 carry H3K4me3 or H3K27me3 marks and/or are StE(z)2 targets. Interestingly, we observed that another important tuberization gene, StSP6A, is targeted by StE(z)2 in leaves and that it has increased deposition of H3K27me3 under long-day (non-induced) conditions compared to short days. Overall, our results show that StE(z)2 and deposition of H3K27me3 and/or H3K4me3 marks might regulate the expression of key tuberization genes in potato.

}, keywords = {ChIP-sequencing, Epigenetics, PcG, photoperiod, polycomb repressive complex, potato tuberization, short-day, Solanum tuberosum, StE(z)2}, issn = {0022-0957}, doi = {10.1093/jxb/eraa468}, author = {Kumar, Amit and Kondhare, Kirtikumar R. and Malankar, Nilam N. and Banerjee, Anjan K.} } @article {47748, title = {Possible electron doping of geometrically perfect spin-1/2 kagome-lattice barlowite by reduced graphene oxide}, journal = {Physical Review B}, volume = {104}, year = {2021}, month = {SEP }, pages = {L100418}, type = {Letter}, abstract = {Doping of quantum spin liquid (QSL) insulators by electron or hole leads to intriguing phase transitions to metallic and superconducting states. The barlowite family with geometrically perfect S = 1/2 kagome planes and tunable interkagome coupling is an emerging platform to realize spin-ordered, valence bond crystal, QSL states. Theoretical investigations on electron doping revealed localized states in the band gap of barlowite unlike metallicity in cuprate (Nd2CuO4). We present successful anchoring of phase-pure barlowite crystallites onto reduced graphene oxide (rGO). The resulting barlowite-rGO system was found to be an electrical semiconductor with Arrhenius activation energy of 0.07 eV. Semiconducting properties of the barlowite-rGO system were further modulated with retention of structural integrity. We have attributed such a transformation of electrical transport response to plausible electron doping thereby making charge-doping experiments on barlowite and its analogs propitious.}, issn = {2469-9950}, doi = {10.1103/PhysRevB.104.L100418}, author = {Gupta, Kriti and Ninawe, Pranay and Jain, Anil and Dadwal, Arun and Anas, M. and Malik, V. K. and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {47682, title = {Prominence of Cu in a plasmonic Cu-Ag alloy decorated SiO2@S-doped C3N4 core-shell nanostructured photocatalyst towards enhanced visible light activity}, journal = {Nanoscale Advances}, volume = {4}, year = {2021}, month = {DEC}, pages = {150-162}, type = {Article}, abstract = {A series of Cu-Ag bimetal alloys decorated on SiO2 and the fabrication of few-layer S-doped graphitic carbon nitride (SC) warped over it to form a core-shell nanostructured morphology have been demonstrated and well characterized through various physiochemical techniques. HRTEM data confirmed the formation of a compact nanojunction between the SiO2 and SC, where Cu-Ag is embedded uniformly with an average particle size of 1.3 nm. The Ag : Cu (1 : 3) between SiO2 and SC produces 1730 mu mol h(-1) g(-1) of H-2 under visible light illumination. Moreover, 6.2-fold current enhancement in the case of Ag : Cu (1 : 3) as compared to the Ag-loaded core-shell nanostructured photocatalyst indicates higher electron-hole-pair separation. The excellent activity was due to the synergistic alloying and plasmonic effect of Ag and Cu. DFT studies reveal that the Cu atom in the Cu-Ag bimetal alloy plays a pivotal role in the generation of H-2, and the reaction proceeds via a 4-membered transition state. The mechanistic insight proceeds from the generation of hot electrons due to the LSPR effect and their transfer to the SC layer via a compact nanojunction.}, issn = {2516-0230}, doi = {10.1039/d1na00633a}, author = {Babu, Pradeepta and Dash, Soumya Ranjan and Behera, Arjun and Vijayaraghavan, T. and Ashok, Anuradha and Parida, Kulamani} } @article {47426, title = {Raman spectroscopy-based sensitive, fast and reversible vapour phase detection of explosives adsorbed on metal-organic frameworks UiO-67}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {APR}, pages = {7145-7153}, type = {Article}, abstract = {

In this work, we report highly sensitive, selective, rapid, and reversible detection of explosive molecules in the vapour phase, adsorbed on metal-organic frameworks (MOFs) under ambient laboratory conditions. The sensing is based on the quenching of the Raman intensity of a zirconium-based MOF, Zr6O4(OH)(4)(dcppy)(6) (MOF 1, UiO-67-dcppy; dcppy is 2-phenylpyridine-5,4{\textquoteright}-dicarboxylate), where 50\% of the signal quenches swiftly within similar to 5 s of its exposure to trinitrophenol (TNP) vapours, while 90\% of the Raman signal was quenched in 30 s. The high surface area of porous MOFs provides increased adsorption of various nitro analytes. The quenching of Raman peaks resulted from the pi-pi interactions of the analytes with the benzene ring of the MOF. The sensors have also been proven to be reversible and stable by mild heat treatment (80 degrees C for 5 min). These notable results using Raman spectroscopy point to a new and important approach towards explosive sensing using metal-organic frameworks considering their vast versatility. This work emphasizes the importance of a non-invasive and non-destructive technique that can be used to develop handheld vapour phase explosive detectors.

}, issn = {1144-0546}, doi = {10.1039/d0nj04915h, Early Access Date = MAR 2021}, author = {Sen Bishwas, Mousumi and Malik, Monika and Poddar, Pankaj} } @article {47346, title = {Rapid and accurate nucleobase detection using FnCas9 and its application in COVID-19 diagnosis}, journal = {Biosensors \& Bioelectronics}, volume = {183}, year = {2021}, month = {JUL }, pages = {113207}, type = {Article}, abstract = {

Rapid detection of DNA/RNA pathogenic sequences or variants through point-of-care diagnostics is valuable for accelerated clinical prognosis, as witnessed during the recent COVID-19 outbreak. Traditional methods relying on qPCR or sequencing are tough to implement with limited resources, necessitating the development of accurate and robust alternative strategies. Here, we report FnCas9 Editor Linked Uniform Detection Assay (FELUDA) that utilizes a direct Cas9 based enzymatic readout for detecting nucleobase and nucleotide sequences without transcleavage of reporter molecules. We also demonstrate that FELUDA is 100\% accurate in detecting single nucleotide variants (SNVs), including heterozygous carriers, and present a simple web-tool JATAYU to aid end-users. FELUDA is semi-quantitative, can adapt to multiple signal detection platforms, and deploy for versatile applications such as molecular diagnosis during infectious disease outbreaks like COVID-19. Employing a lateral flow readout, FELUDA shows 100\% sensitivity and 97\% specificity across all ranges of viral loads in clinical samples within 1hr. In combination with RT-RPA and a smartphone application True Outcome Predicted via Strip Evaluation (TOPSE), we present a prototype for FELUDA for CoV-2 detection closer to home.

}, keywords = {CRISPRDx, FELUDA, FnCas9, LFA, SARS-CoV2, SNV detection}, issn = {0956-5663}, doi = {10.1016/j.bios.2021.113207}, author = {Azhar, Mohd and Phutela, Rhythm and Kumar, Manoj and Ansari, Asgar Hussain and Rauthan, Riya and Gulati, Sneha and Sharma, Namrata and Sinha, Dipanjali and Sharma, Saumya and Singh, Sunaina and Acharya, Sundaram and Sarkar, Sajal and Paul, Deepanjan and Kathpalia, Poorti and Aich, Meghali and Sehgal, Paras and Ranjan, Gyan and Bhoyar, Rahul C. and Singhal, Khushboo and Lad, Harsha and Patra, Pradeep Kumar and Makharia, Govind and Chandak, Giriraj Ratan and Pesala, Bala and Chakraborty, Debojyoti and Maiti, Souvik and Indian CoV2 Genomics Genetic Epide} } @article {47647, title = {Reactivities of silaimines with boranes: from cooperative B-H bond activation to donor stabilized silyl cation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUL}, pages = {2133-2138}, type = {Article}, abstract = {The recently published silylene with a tris(trimethylsilyl) group, PhC(NtBu)(2)SiSi(SiMe3)(3) (1), was reacted with the organic azides such as SiMe3N3 and AdN(3) to form the respective hypersilylsilaimines, PhC(NtBu)(2)Si(=NR)Si(SiMe3)(3) 2 (R = SiMe3) and 3 (R = Ad). The B-H bond of HBpin or HBcat was split across the Si=N bond upon reaction with 2, which generated 4 and 5, respectively. However, we could not obtain the crystals of 4 and 5 appropriate for X-ray diffraction. Subsequently, we performed the analogous reactions with a related silaimine PhC(NtBu)(2)Si(=NSiMe3)N(SiMe3) 2 (2{\textquoteright}) and isolated similar B-H bond activated products 6 and 7. The reaction of 2{\textquoteright} with HBCl2 resulted in donor stabilized silyl cations (8 and 9) supported by an amidinate ligand.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00273}, author = {Bisai, Milan Kumar and Sharma, Vishal and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47621, title = {Readily available lithium compounds as catalysts for the hydroboration of carbodiimides and esters}, journal = {Journal of Organometallic Chemistry}, volume = {949}, year = {2021}, month = {SEP 15}, pages = {121924}, type = {Article}, abstract = {Selective and efficient hydroboration of esters and carbodiimides to alcohols and amines by two welldefined and readily accessible lithium complexes, 2,6-di-tert-butyl phenolate lithium (1a ) and 1,1{\textquoteright}-dilithioferrocene (1b ) are described. A range of aliphatic, aromatic, and cyclic esters with various functional groups were selectively converted into the corresponding boronate esters. Similarly, the single hydroboration of carbodiimides with aliphatic and aromatic substituents on the nitrogen atoms was studied. A possible mechanistic pathway of the hydroboration of carbodiimides with HBpin has been proposed using NMR studies and DFT calculations. These reactions are convenient alternatives to stoichiometric hydride reduction or hydrogenation. The employing of lithium complexes is also significant, because of the need to find cheap and green alternatives to noble metal complexes. (C) 2021 Elsevier B.V. All rights reserved.}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.121924}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47821, title = {Recent advances in liquid organic hydrogen carriers: an alcohol-based hydrogen economy}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {14712-14726}, type = {Article}, abstract = {Energy storage and the use of abundantly available feedstock without contributing to the carbon footprint are two significant global challenges. In this regard, the development of high-performance, low-cost, sustainable, and environmentally friendly energy storage and production systems is crucial to fulfill the growing energy demands of the current society. The use of hydrogen will diversify energy sources as it significantly reduces greenhouse gas emissions and environmental pollution during energy conversion. Although the hydrogen economy is quite beneficial, hydrogen storage is still very challenging, and the existing methods suffer from a lot of problems and drawbacks. The conventional liquefaction and compression hydrogen storage technologies are associated with several challenges, including low storage density, boil-off losses, relatively high costs, and safety and transportation concerns. In recent years, liquid organic hydrogen carrier (LOHC) systems have attained a lot of importance as a substitute for the traditional storage methods. Hydrogen storage and transport using LOHCs are based on two-step cycles, such as (i) loading/storage of hydrogen by catalytic hydrogenation of H2-lean compounds and (ii) unloading/releasing hydrogen by dehydrogenating the resulting H2-rich liquids. Since alcohols are widely accessible from various industrial processes or even from biomass-derived precursors, the catalytic acceptorless dehydrogenation of alcohols is an attractive approach for future hydrogen storage applications. Hence, the catalytic dehydrogenation-hydrogenation of alcohols can be used for the development of alcohol-based LOHC systems which are economical, safe, and easy to handle. Further, they are similar to crude oils under ambient conditions and thus are suitable for use in the current energy infrastructure. This Review covers several essential aspects of these developing efficient and abundantly available LOHC systems for efficient hydrogen storage and transport applications. Additionally, reversible LOHC systems based on the catalytic dehydrogenation-hydrogenation of alcohols and their corresponding carbonyl compounds have been discussed.}, doi = {10.1021/acscatal.1c03283}, url = {https://doi.org/10.1021/acscatal.1c03283}, author = {Yadav, Vinita and Sivakumar, Ganesan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {47752, title = {Resistive switching in HfO2-x/La0.67Sr0.33MnO3 heterostructures: an intriguing case of low H-field susceptibility of an E-field controlled active interface}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {NOV }, pages = {54133-54142}, type = {Article}, abstract = {High-performance nonvolatile resistive random access memories (ReRAMs) and their small stimuli control are of immense interest for high-speed computation and big-data processing in the emerging Internet of Things (IoT) arena. Here, we examine the resistive switching (RS) behavior in growth-controlled HfO2/La0.67Sr0.33MnO3 (LSMO) heterostructures and their tunability in a low magnetic field. It is demonstrated that oxygen-deficient HfO2 films show bipolar switching with a high on/off ratio, stable retention, as well as good endurance owing to the orthorhombic-rich phase constitution and charge (de)trapping-enabled Schottky-type conduction. Most importantly, we have demonstrated that RS can be tuned by a very low externally applied magnetic field (similar to 0-30 mT). Remarkably, application of a magnetic field of 30 mT causes RS to be fully quenched and frozen in the high resistive state (HRS) even after the removal of the magnetic field. However, the quenched state could be resurrected by applying a higher bias voltage than the one for initial switching. This is argued to be a consequence of the electronically and ionically {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} nature of the HfO2-x/LSMO interface on both sides and its susceptibility to the electric and low magnetic field effects. This result could pave the way for new designs of interface-engineered high-performance oxitronic ReRAM devices.}, keywords = {charge trapping-detrapping, low external magnetic field, oxide-oxide interface, pulsed laser deposition, resistive switching, Schottky barrier}, issn = {1944-8244}, doi = {10.1021/acsami.1c15082}, author = {Antad, Vivek and Shaikh, Parvez A. and Biswas, Abhijit and Rajput, Shatruhan Singh and Deo, Shrinivas and Shelke, V, Manjusha and Patil, Shivprasad and Ogale, Satishchandra} } @article {47610, title = {Resolving diverse protein-DNA footprints from exonuclease-based ChIP experiments}, journal = {Bioinformatics}, volume = {37}, year = {2021}, month = {JUL}, pages = {I367-I375}, type = {Article; Proceedings Paper}, abstract = {Motivation: High-throughput chromatin immunoprecipitation (ChIP) sequencing-based assays capture genomic regions associated with the profiled transcription factor (TF). ChIP-exo is a modified protocol, which uses lambda exonuclease to digest DNA close to the TF-DNA complex, in order to improve on the positional resolution of the TF-DNA contact. Because the digestion occurs in the 50-30 orientation, the protocol produces directional footprints close to the complex, on both sides of the double stranded DNA. Like all ChIP-based methods, ChIP-exo reports a mixture of different regions associated with the TF: those bound directly to the TF as well as via intermediaries. However, the distribution of footprints are likely to be indicative of the complex forming at the DNA. Results: We present ExoDiversity, which uses a model-based framework to learn a joint distribution over footprints and motifs, thus resolving the mixture of ChIP-exo footprints into diverse binding modes. It uses no prior motif or TF information and automatically learns the number of different modes from the data. We show its application on a wide range of TFs and organisms/cell-types. Because its goal is to explain the complete set of reported regions, it is able to identify co-factor TF motifs that appear in a small fraction of the dataset. Further, ExoDiversity discovers small nucleotide variations within and outside canonical motifs, which co-occur with variations in footprints, suggesting that the TF-DNA structural configuration at those regions is likely to be different. Finally, we show that detected modes have specific DNA shape features and conservation signals, giving insights into the structure and function of the putative TF-DNA complexes.}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btab274}, author = {Biswas, Anushua and Narlikar, Leelavati} } @article {47358, title = {Resonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster}, journal = {International Journal of Quantum Chemistry}, volume = {121}, year = {2021}, month = {SEP}, pages = {e26738}, type = {Article; Early Access}, abstract = {

Resonances are metastable states with finite lifetime. They play important role in physics, chemistry and biology. The theoretical calculation of resonance state is a challenging problem. In this paper we have studied the shape resonance of Be, Mg, N-2 and CO. We have used correlated independent particle approximation to the Fock space multi-reference coupled cluster singles-doubles with third-order triples (CAP-CIP-FSMRCCSD(T)) method augmented by complex absorption potential. The resonance energy and decay widths are obtained by solving a non-Hermitian eigen-value problem within FSMRCC framework. The effects of the lowest order triples on the resonance energy and decay are studied.

}, keywords = {complex absorbing potential, electron affinity, Fock\&\#8208, negative ion resonance, partial triples, space MRCC}, issn = {0020-7608}, doi = {10.1002/qua.26738, Early Access Date = MAY 2021}, author = {Jana, Irina and Basumallick, Suhita and Pal, Sourav and Vaval, Nayana} } @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 {47673, title = {Review of the recent progress on thermal conductivity of nanofluid}, journal = {Journal of Molecular Liquids}, volume = {338}, year = {2021}, month = {SEP }, pages = {116929}, type = {Review}, abstract = {Thermal properties of nanofluids are very well investigated by the global research community for their various applications. The dispersion and stability of the nanoparticles in the base fluid are the essential requirements for the efficient utilization of nanofluids in many applications. The interfacial layer plays a crucial role in the dispersion, stability, and heat transfer properties of the nanofluid. The heat transfer property of the nanofluids is mainly influenced by the heat transfer properties at the particle-fluid interface. The thickness and thermal conductivity of the interfacial layer are the crucial factors that decide the heat transfer at the interface, and the difficulties in the determination of these factors limits the progress of the research. In this review article, the experimental studies on the thickness and thermal conductivity of the interfacial layer are reviewed briefly. The effect of interfacial the layer on the nanoscale mechanisms and thermophysical properties of nanofluids are reviewed. The effect of various tunable parameters on the heat transfer properties of the interfacial layer is also reviewed. This review will be beneficial for fine-tuning nanofluid{\textquoteright}s thermal properties and their commercial applications. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Interfacial layer, Interfacial thermal conductance, Nanofluid, Surfactants, Thermal conductivity}, issn = {0167-7322}, doi = {10.1016/j.molliq.2021.116929}, author = {Lenin, Ramanujam and Joy, Pattayil Alias and Bera, Chandan} } @article {47129, title = {Review on selective production of acetophenone from oxidation of ethylbenzene over heterogeneous catalysts in a decade}, journal = {Catalysis Letters}, year = {2021}, month = {JAN}, type = {Article; Early Access 2021}, abstract = {

The consumption of acetophenone (AP) is increasing worldwide because of its applications in products such as alcohol, aldehydes, resins, esters, fragrances, and pharmaceuticals. AP is manufactured via several methods like decomposition of cumene hydroperoxide, Hock process, and Friedel-Crafts acylation reaction using homogeneous catalysts with solvent and oxidant. However, it causes several environmental problems that deteriorate the production of AP with these methods. Oxidation of ethylbenzene (EB) is one of the promising methods to synthesize AP in liquid and vapor phases reaction using heterogeneous catalysts, which plays a vital role for selective production of AP. In this review, numerous heterogeneous catalysts are discussed including transition metal nanoparticles, transition metal complexes, and metal free catalysts (carbon nanotubes) used in last 10 years for oxidation of EB. Additionally, catalyst activity along with reaction parameters and its effect, mechanisms, and kinetics study are summarized in this article. The future scope of this reaction is also highlighted. Moreover, this work identifies best catalysts for bulk production of AP with high yield to satisfy global requirement.

}, keywords = {acetophenone, ethylbenzene, Heterogeneous catalysts, Oxidation reaction, reaction mechanisms}, issn = {1011-372X}, doi = {10.1007/s10562-020-03474-8, Early Access Date = JAN 2021}, author = {Nandanwar, Sachin U. and Rathod, Simmy and Bansal, Videsha and Bokade, Vijay V.} } @article {47051, title = {Rhamonolipids produced by Pseudomonas aeruginosa promotes methane hydrates formation in fixed bed silica gel medium}, journal = {Marine Geophysical Research}, volume = {42}, year = {2021}, month = {MAR}, pages = {5}, type = {Article}, abstract = {

Natural gas hydrates are seen as an alternative future energy source. They have also been valued for their carbon dioxide capturing capability, gas separation, desalination, natural gas storage and transportation. Developing economical and viable gas hydrate based technology is one of the most promising research areas of present decade. Successful commercialization of gas hydrate based technology is often curtailed due to slow formation rate. The present study evaluates biosurfactant as a kinetic promoter of methane hydrates formation in a fixed bed C type silica gel medium. Biosurfactant was produced by growing Pseudomonas aeruginosa strain A11 in glycerol supplemented mineral salt medium. Biosurfactant characterization with FTIR, NMR and MALDI-TOF spectroscopy reveled it to be a glycolipids type biosurfactant namely rhamnolipids. Saturating C type silica gel with of 100 ppm rhamnolipids solution enhanced the rate of methane hydrates formation by reducing the induction time. Mole of methane consumed and percentage of water to hydrate conversion was observed to be more in 1000 ppm rhamnolipids saturated C type silica gel as compared to quiescent water system and water saturated silica gel system. Overall results suggest that rhamonolipids produced by strain A11 in combination with silica gel can be utilized as environmentally safe kinetic promoter for methane hydrate formation.

}, keywords = {Biosurfactant, Energy, Glycolipids, Induction time, Kinetic promoter}, issn = {0025-3235}, doi = {10.1007/s11001-020-09426-6}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Balomajumder, Chandrajit and Kumar, Rajnish and Singh, Anil Kumar and Santhakumari, B. and Kumar, Pushpendra and Laik, Sukumar} } @article {47063, title = {Rhizobacterial consortium mediated aroma and yield enhancement in basmati and non-basmati rice ( Oryza sativa L.)}, journal = {Journal of Biotechnology}, volume = {328}, year = {2021}, month = {FEB}, pages = {47-58}, type = {Article}, abstract = {

Basmati and non-basmati rice varieties are commercially important. Aromatic rice varieties are low yielding and recently depletion in aroma is observed due to the shift towards modern agriculture. Therefore, it is necessary to restore the aroma and increase the yield through sustainable agriculture. The use of microbial bioinoculants is one of the promising ways to achieve these targets. With these objectives, rhizospheric bacterial strains Enterobacter hormaechei (AM122) and Lysinibacillus xylanilyticus (DB25) having the property of synthesizing 2acetyl-1-pyrroline (2AP) were isolated from the rhizosphere of two aromatic rice varieties, Ambemohar-157 and Dehradun Basmati respectively and their effect on plant growth, aroma and yield enhancement under mono-inoculation and consortium conditions was analyzed. The bacterial inoculum in consortium resulted in significant improvement in vegetative growth, yield and 2AP content over mono inoculation and control. The study highlights the potential of E. hormaechei and L. xylanilyticus in plant growth, yield and aroma enhancement in basmati and non-basmati rice varieties. These strains can be taken up further for developing a commercial bioformulation.

}, keywords = {2-Acetyl-1-pyrroline, Basmati rice, Non-basmati rice, plant growth promotion, Rhizosphere, yield}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2021.01.012}, author = {Dhondge, Harshal V. and Pable, Anupama A. and Barvkar, Vitthal T. and Dastager, Syed G. and Nadaf, Altafhusain B.} } @article {47831, title = {Rigidity dictates spontaneous helix formation of thermoresponsive colloidal chains in poor solvent}, journal = {ACS Nano}, volume = {15}, year = {2021}, month = {DEC}, pages = {19702-19711}, type = {Article}, abstract = {The formation of helical motifs typically requires specific directional interactions. Here, we demonstrate that isotropic interparticle attraction can drive self-assembly of colloidal chains into thermo-reversible helices, for chains with a critical level of backbone rigidity. We prepare thermoresponsive colloidal chains by cross-linking PNIPAM microgel-coated polystyrene colloids ({\textquotedblleft}monomers{\textquotedblright}), aligned in an AC electric field. We control the chain rigidity by varying cross-linking time. Above the LCST of PNIPAM, there is an effective attraction between monomers so that the colloidal chains are in a bad solvent. On heating, the chains decrease in size. For the most rigid chains, the decrease is modest and is not accompanied by a change in shape. Much less rigid chains form relatively compact structures, resulting in a large increase in the local monomer density. Unusually, chains with intermediate rigidity spontaneously assemble into helical structures. The chain helicity increases with temperature and plateaus above the collapse transition temperature of the microgel particles. We simulate a minimal model that captures the spontaneous emergence of the helical conformations of the polymeric chain and provides insight into this shape transition. Our work suggests that a purely mechanical instability for semiflexible filaments can drive helix formation, without the need to invoke directional interactions.}, doi = {10.1021/acsnano.1c07048}, author = {Biswas, Bipul and Mitra, Debarshi and KP, Fayis and Bhat, Suresh and Chatterji, Apratim and Kumaraswamy, Guruswamy} } @article {47688, title = {Safe water and technology initiative for water disinfection: application of natural plant derived materials}, journal = {Journal of Water Process Engineering}, volume = {43}, year = {2021}, month = {OCT}, pages = {102280}, type = {Article}, abstract = {Safe drinking water is the necessity of life. The present study reveals use of natural resources such as plant extracts and natural oils for water disinfection. Differences between oil and water soluble additives were highlighted for plant extracts and insoluble natural oils. A hybrid hydrodynamic cavitation process was quite effective in both the cases and high rates of disinfection were achieved. Studies were reported using oils (ginger, turmeric, lavender, tulsi) and rhizome derived plant extracts such as ginger, turmeric and mango ginger, as additives in process intensification (0.1\% v/V). A vortex based cavitation device (vortex diode, nominal capacity 1 m3/h) was used with pressure drop of 1 bar. A high disinfection of 96\% and 88\% was obtained in 15 min for ginger oil and mango ginger extract respectively as compared to 44\% using cavitation alone. Acoustic cavitation gave 94\% and 30\% disinfection with and without additive-mango ginger extract. The FTIR analyses before and after cavitation, with ginger additive, showed no by-products formation and indicated gingerol as active component in disinfection. The per-pass disinfection values were also higher, up to 5 times than cavitation alone. Hybrid hydrodynamic cavitation using natural plant derived materials can offer a promising technology alternative in water disinfection.}, keywords = {Cavitation, Disinfection, Natural oil, Plant extract, Water treatment}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2021.102280}, author = {Mane, Maya B. and Bhandari, Vinay M. and Ranade, Vivek V.} } @article {47632, title = {Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {SEP}, pages = {5994-6011}, type = {Article}, abstract = {The marketed formulation of pazopanib (PAZ) suffers from low and variable bioavailability because of its poor dissolution rate and photostability issues. The drug falls under Biopharmaceutics Classification System (BCS) class II of low solubility and good permeability. The hydrogen bonds and supramolecular interactions in crystalline forms of PAZ with hydroxybenzoic acids (HBAs) and dihydroxybenzoic acids (DHBAs), as well as its salts are analyzed. Ten X-ray crystal structures of PAZ which include the reference drug, a tetrahydrofuran solvate (PAZ center dot THF) and eight salts with HBAs/DHBAs are reported. There is proton transfer from the carboxylic group of the coformer acid to the most basic nitrogen atom of the 2-aminopyrimidine ring of PAZ in all cases. Two salts were crystallized in neat form, while the remaining six are solvates and hydrates. The crystal structure of PAZ is stabilized by sulfonamide and 2-aminopyrimidine homosynthons of N-HMIDLINE HORIZONTAL ELLIPSISO and N-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bonds in an R2(2)(8) ring motif. PAZ center dot HBA/DHBA salts consistently contain the aminopyridiniumMIDLINE HORIZONTAL ELLIPSIScarboxylate N+-HMIDLINE HORIZONTAL ELLIPSISO- synthon of the R2(2)(8) ring. The sulfonamide homosynthon of PAZ is disrupted in preference to the formation of N-HMIDLINE HORIZONTAL ELLIPSISO and N-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bonds in salt structures. The presence of an additional basic nitrogen atom in the indazole ring of PAZ promotes hydration and solvation through the O-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bond. Whereas the formation of salts is desirable for pharmaceutical formulation, the inclusion of adventitious solvent and/or water molecules with hydroxybenzoic acid coformers in the cocrystal-salt products is a limitation for this class of coformers. The stability problem faced with hydrates and solvates of PAZ center dot HBA/DHBA salts means that their formation must be carried out by strictly anhydrous procedures. The consistent occurrence of the aminopyridiniumMIDLINE HORIZONTAL ELLIPSIScarboxylate N+-HMIDLINE HORIZONTAL ELLIPSISO- ring synthon is discussed in relation to the previous results of Aakeroy, Nangia and Zaworotko groups on similar acid-base multi-component systems.}, doi = {10.1039/d1ce00785h}, author = {Rai, Sunil K. and Baidya, Debjani and Nangia, Ashwini K.} } @article {47674, title = {Seed-mediated growth of Pt on high-index faceted Au nanocrystals: the ag lining and implications for electrocatalysis}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP }, pages = {9155-9166}, type = {Article}, abstract = {Bimetallic Au@Pt nanocrystals (NCs) offer a unique combination of plasmonic and catalytic properties and are a growing field of research. Herein, we report an unusual observation in the behavior of silver ions (Ag+) which was found to play a dominant role in dictating the Pt deposition in a seed-mediated growth method. {\textquoteleft}While the literature is replete with various instances of Ag-assisted Pt deposition whereby higher concentration of Ag+ translates into a thicker Pt shell, in the present study, contradictory observations were made. In the presence of lower amounts of Ag+, thick Pt shells were visualized, while at higher concentrations of Ag+, the extent of Pt deposition via the galvanic replacement reaction was reduced. Additionally, the presence of Ag was deemed necessary for the Pt deposition to take place, either in the form of an underpotential deposition layer on the Au NCs or by introducing Ag+ in the growth solution. We have demonstrated our findings on two different Au NCs enclosed with high-index facets, concave cuboid, and elongated tetrahexahedra, which mirror similar observations and provide generality to our claim. To the best of our knowledge, the time required for Pt deposition on the Au core in the present work is the least among the reported seed-mediated routes. Furthermore, this work, besides presenting a facile and general route for the amalgamation of catalytic and plasmonic properties in hybrid Pt-Au NCs, sheds light on the mechanistic aspects of Ag-assisted wet-chemical generation of bimetallic Au@Pt NCs. The overall electrocatalytic performance of our Au@Pt NCs toward the oxygen reduction reaction was realized to be impressive.}, keywords = {bimetallic nanostructure, galvanic replacement reaction, high-index facet, oxygen reduction reaction, seed-mediated growth, underpotential deposition}, doi = {10.1021/acsanm.1c01714}, author = {Roy, Debashree and Rajendra, Ranguwar and Gangadharan, Pranav K. and Pandikassala, Ajmal and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {47744, title = {Stabilization of Azapeptides by N-amide center dot center dot center dot H-N-amide Hydrogen Bonds}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {4949-4954}, type = {Article}, abstract = {An unusual N-amide center dot center dot center dot H-Namide hydrogen bond (HB) was previously proposed to stabilize the azapeptide beta-turns. Herein we provide experimental evidence for the N-amide center dot center dot center dot H-Namide HB and show that this HB endows a stabilization of 1-3 kcal.mol(-1) and enforces the trans-cis-trans (t-c-t) and cis-cis-trans (c-c-t) amide bond conformations in azapeptides and N-methyl-azapeptides, respectively. Our results indicate that these N-amide center dot center dot center dot H-Namide HBs can have stabilizing contributions even in short azapeptides that cannot fold to form beta-turns.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01111}, author = {Baruah, Kalpita and Sahariah, Biswajit and Sakpal, Sushil S. and Deka, Jugal Kishore Rai and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47382, title = {Substrate, catalyst, and solvent: the triune nature of multitasking reagents in hydroboration and cyanosilylation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {APR}, pages = {1104-1112}, type = {Article}, abstract = {

A truly green chemical process would avoid the use of an external catalyst, while still achieving high efficiency. This has been realized in the very recent past for hydroboration, cyanosilylation, acetalization, and the aza-Michael addition, among other reactions. The current combined computational and experimental study unlocks the secret to how this highly desirable outcome is accomplished: one of the reactants in the process also acts as the catalyst. Specifically, this is shown (i) for the important hydroboration reaction, with pinacolborane (HBpin) as the hydroborating reagent and benzaldehyde, acetophenone, benzoic acid and p-methoxyphenylacetylene as the hydroborated substrates, and (ii) for cyanosilylation, with trimethylcyanosilane (TMSCN) as the cyanosilylating agent and benzaldehyde as the substrate. The mechanistic understanding thus gained has then been further exploited experimentally to bring hydroboration and cyanosilylation closer to experimental conditions in catalysis. These insights can potentially be expanded to the rapidly growing area of solvent-free and internal catalyst chemistry.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00070}, author = {Dixit, Ruchi and Bisai, Milan Kumar and Yadav, Sandeep and Yadav, Vinita and Sen, Sakya S. and Vanka, Kumar} } @article {47603, title = {Sulfonated polyvinyl alcohol ionomer membrane favoring smooth electrodeposition of zinc for aqueous rechargeable zinc metal batteries}, journal = {Sustainable Energy \& Fuels}, volume = {5}, year = {2021}, month = {OCT}, pages = {5557-5564}, type = {Article}, abstract = {One of the failure mechanisms of aqueous rechargeable zinc metal batteries (AZMBs) involves high surface area zinc (HSAZ)/dendrite-like deposits over the Zn-metal anode during long-term cycling. Negatively charged (anionic) polymeric ionomer electrolyte membranes and separators are known for suppressing the dendrite-/HSAZ-induced failure of AZMBs. However, the preparation of cost-effective and non-fluorinated ionomers from cheap and environmentally friendly polymers is essential to leverage the feasibility of AZMBs. The current work demonstrates the potential of an ionomer electrolyte membrane (P-AS-C-Zn) made by the crystallization-induced physical cross-linking of sulfonated poly (vinyl alcohol) (PVS) and poly (vinyl alcohol) (PVA) as a dendrite-/HSAZ-inhibiting separator for AZMBs. The P-AS-C-Zn membranes exhibited excellent Zn plating/stripping behavior with a stable voltage vs. time profile beyond 1100 h, compared to their neutral PVA-C-Zn counterpart without any ionomer character (cell failure at close to 280 h). Applying the optimized P-AS-C-Zn membrane in a MnO2||Zn full cell helps retain about 50\% of the initial capacity close to 600 cycles in the absence of extra manganese salt in the electrolyte, which is indeed promising.}, issn = {2398-4902}, doi = {10.1039/d1se00865j}, author = {Vijayakumar, Vidyanand and Torris, Arun and Kurian, Maria and Mathew, Megha Mary and Ghosh, Meena and Khairnar, Ajay B. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {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 {47075, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and amphotericin B on a clinical isolate of Leishmania donovani (vol 223, 103800, 2020)}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB }, type = {Correction}, abstract = {

Drug resistance and relapse after treatment of visceral leishmaniasis (VL) with the chemotherapeutic drugs has impeded the VL elimination programme especially, in the endemic region of Bihar, India. Currently, Antimonials (Sbv) have been rendered obsolete (Bihar) as frequent treatment failure and relapse in Sbv treated patient{\textquoteright}s warrants greater vigilance and attention to the limited drugs. A clinical isolate of L.donovani obtained from an Amphotericin B (AmB) relapse patient was evaluated for its susceptibility to AmB and a hyperlipidemic drug Guggul. The evaluation of susceptibility or resistance to any drug still relies on in vitro assay on promastigote and amastigote stages of Leishmania spp. as there are no validated markers which can ascertain drug resistance in Leishmania. The anti-promastigote effect of AmB and Guggul were demonstrated by significant cellular and morphological changes exhibiting apoptosis-mediated cell death. To further illustrate the molecular mechanism of the parasite{\textquoteright}s response upon exposure to either AmB and Guggul, sequential window acquisition of all theoretical fragment ion spectra mass spectrometry (SWATH-MS) for quantitative proteomics analysis was performed along with computational data analysis; revealing considerable differences in the proteome profiles which could be regarded as putative markers for resistance or drug targets for development of therapeutic antileishmanials.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104017}, author = {Routaray, Chinmayee Bar and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {47740, title = {Synergistic electronic coupling/cross-talk between the isolated metal halide units of zero dimensional heterometallic (Sb, Mn) halide hybrid with enhanced emission}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2021}, month = {DEC }, pages = {360-370}, type = {Article}, abstract = {Heterometallic 0D metal halide hybrids, consisting of more than one kind of metal halide units, are anticipated to manifest synergistic effects on the photo-physical properties of the constituent metal halide units. Such architectures hold great promise for design and development of function-targeted materials. However, heterometallic 0D hybrids, featuring isolated metal halide units, typically do not show any synergistic effects due to large inter-unit spatial separations that inhibit interactions/coupling between the constituent metal halide units. It remains challenging to design synthetic strategies that would support structural modifications to allow synergistic electronic coupling between the metal halide units in heterometallic 0D hybrids. Here, we report synthesis and characterization of heterometallic (Sb, Mn) 0D hybrid, namely Tris SbMnCl, with isolated MnCl5 units, (Sb/Mn)Cl-6 units, dispersed in the organic ligand matrix and layer of dynamic and networked water molecules. Steady state and time resolved emission spectra (TRES) analysis suggests strong synergistic interaction between the isolated metal halide units. Efficient energy transfer from the strongly absorbing Sb centres to emissive Mn centres results in the observed enhanced emission. Proton conductivity measurements together with first-principles calculations suggest the unique role of the networked water molecules in mediating the electronic coupling/energy transfer between the separated metal halide units in Tris SbMnCl hybrid. This report highlights the role of structure/composition of the synthesized heterometallic 0D hybrid in attaining electronic dimensionality higher than 0D through synergistic electronic interaction between the isolated metal halide units.}, issn = {2050-7526}, doi = {10.1039/d1tc04704c}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Das, Deep K. and Sam, Jisvin and Mali, Bhupendra P. and Biswas, Chinmoy and Maana, Narugopal and Thomson, Stuart and Raavi, Sai Santosh Kumar and Kurungot, Sreekumar and Gonnade, Rajesh G. and Dutta, Sudipta and Kundu, Janardan} } @article {47057, title = {Synergistic nanostructured MnOx/TiO2 catalyst for highly selective synthesis of aromatic imines}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {APR}, pages = {1990-1997}, type = {Article}, abstract = {

This work reports the development of a synergistic nanostructured MnOx/TiO2 catalyst, with highly dispersed MnOx nanoparticles (4.5 +/- 1 nm) on shape-controlled TiO2 nanotubes (8-11 nm width and 120-280 nm length), for selective synthesis of valuable aromatic imines at industrially important conditions. Pristine TiO2 nanotubes exhibited 97 \% imine selectivity at a 38.3 \% benzylamine conversion, whereas very low imine selectivity was obtained over commercial TiO2 materials, indicating the catalytic significance of shape-controlled TiO2 nanotubes. The MnOx nanoparticle/TiO2 nanotube (10 wt\% Mn) catalyst calcined at 400 degrees C showed the best activity with 95.6 \% benzylamine conversion and 99.9 \% imine selectivity. This catalyst exhibited good recyclability for four times and is effective for converting numerous benzylamines into higher yields of imines. The high catalytic performance of MnOx/TiO2 nanotubes was attributed to higher number of redox sites (Mn3+), high dispersion of Mn species, and shape-controlled structure of TiO2, indicating that this catalyst could be a promising candidate for selective oxidation reactions.

}, keywords = {Acid-redox properties, aerobic oxidation, Nanostructured catalyst, Selective catalysis, Synergistic metal-oxide interaction}, issn = {1867-3880}, doi = {10.1002/cctc.202001870, Early Access Date = FEB 2021}, author = {Sudarsanam, Putla and Kockritz, Angela and Atia, Hanan and Amin, Mohamad Hassan and Bruckner, Angelika} } @article {47108, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocyclyl-2,6-dicyanoanilines (vol 27, pg 979, 2017)}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {32}, year = {2021}, month = {JAN }, pages = {127737}, type = {Correction}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127737}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Deepak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {47723, title = {Synthesis, crystal structures, dielectric and magnetic properties of manganese sulfonyldibenzoates}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT }, pages = {6703-6723}, type = {Article}, abstract = {{A systematic investigation of the system manganese(II) salt-H(2)SBA-auxiliary ligand-solvent successfully led to the isolation of six new multidimensional coordination polymers: [Mn-5(2-pic)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (1), [Mn-3(pyzc)(2)(DMF)(H2O)(SBA)(2)]center dot DMF center dot H2O (2), [Mn-5(pyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (3), [Mn-5(mpyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (4), [Mn-2(phen)(2)(H2O)(SBA)(2)]center dot 2DMA (5) and [Mn-3(phen)(2)(SBA)(3)]center dot 5DMF (6), where SBA = 4,4{\textquoteright}-sulfonyldibenzoate 2-pic = 2-picolinate}, doi = {10.1039/d1ce00810b}, author = {Balendra and Singh, Bharti and Banday, Azeem and Tewari, Shailabh and Kumar, Vineet and Murugavel, Sevi and Joy, P. A. and Ramanan, Arunachalam} } @article {47400, title = {Synthetic heparan sulfate ligands for vascular endothelial growth factor to modulate angiogenesis}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {APR }, pages = {3516-3519}, type = {Article}, abstract = {

We report the discovery of a potential heparan sulfate (HS) ligand to target several growth factors using 13 unique HS tetrasaccharide ligands. By employing an HS microarray and SPR, we deciphered the crucial structure-binding relationship of these glycans with the growth factors BMP2, VEGF(165), HB-EGF, and FGF2. Notably, GlcNHAc(6-O-SO3-)-IdoA(2-O-SO3-) (HT-2,6S-NAc) tetrasaccharide showed strong binding with the VEGF(165) growth factor. In vitro vascular endothelial cell proliferation, migration and angiogenesis was inhibited in the presence of VEGF(165) and HT-2,6S-NAc or HT-6S-NAc, revealing the potential therapeutic role of these synthetic HS ligands.

}, issn = {1359-7345}, doi = {10.1039/d1cc00964h}, author = {Jain, Prashant and Shanthamurthy, Chethan D. and Leviatan Ben-Arye, Shani and Yehuda, Sharon and Nandikol, Sharvani S. and Thulasiram, V, Hirekodathakallu and Padler-Karavani, Vered and Kikkeri, Raghavendra} } @article {47597, title = {Tandem acceptorless dehydrogenative coupling-decyanation under nickel catalysis}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUN}, pages = {7552-7562}, type = {Article}, abstract = {The development of new catalytic processes based on abundantly available starting materials by cheap metals is always a fascinating task and marks an important transition in the chemical industry. Herein, a nickel-catalyzed acceptorless dehydrogenative coupling of alcohols with nitriles followed by decyanation of nitriles to access diversely substituted olefins is reported. This unprecedented C=C bond-forming methodology takes place in a tandem manner with the formation of formamide as a sole byproduct. The significant advantages of this strategy are the low-cost nickel catalyst, good functional group compatibility (ether, thioether, halo, cyano, ester, amino, N/O/S heterocycles; 43 examples), synthetic convenience, and high reaction selectivity and efficiency.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00592}, author = {Midya, Siba P. and Subaramanian, Murugan and Babu, Reshma and Yadav, Vinita and Balaraman, Ekambaram} } @article {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 {47604, title = {Transition of a deep eutectic solution to aqueous solution: a dynamical perspective of the dissolved solute}, journal = {Journal of Physical Chemistry Letters}, volume = {12}, year = {2021}, month = {SEP}, pages = {8784-8789}, type = {Article}, abstract = {Disruption of the deep eutectic solvent (DES) nanostructure around the dissolved solute upon addition of water is investigated by polarization-selective two-dimensional infrared spectroscopy and molecular dynamics simulations. The heterogeneous DES nanostructure around the solute is partially retained up to 41 wt \% of added water, although water molecules are gradually incorporated in the solute{\textquoteright}s solvation shell even at lower hydration levels. Beyond 41 wt \%, the solute is observed to be preferentially solvated by water. This composition denotes the upper hydration limit of the deep eutectic solvent above which the solute senses an aqueous solvation environment. Interestingly, our results indicate that the transition from a deep eutectic solvation environment to an aqueous one around the dissolved solute can happen at a hydration level lower than that reported for the {\textquoteleft}{\textquoteleft}water in DES{\textquoteright}{\textquoteright} to {\textquoteleft}{\textquoteleft}DES in water{\textquoteright}{\textquoteright} transition.}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.1c02118}, author = {Sakpal, Sushil S. and Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {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 {47046, title = {Unbiased phenotype-based screen identifies therapeutic agents selective for metastatic prostate cancer}, journal = {Frontiers in Oncology}, volume = {10}, year = {2021}, month = {MAR }, pages = {594141}, type = {Article}, abstract = {

In American men, prostate cancer is the second leading cause of cancer-related death. Dissemination of prostate cancer cells to distant organs significantly worsens patients{\textquoteright} prognosis, and currently there are no effective treatment options that can cure advanced-stage prostate cancer. In an effort to identify compounds selective for metastatic prostate cancer cells over benign prostate cancer cells or normal prostate epithelial cells, we applied a phenotype-based in vitro drug screening method utilizing multiple prostate cancer cell lines to test 1,120 different compounds from a commercial drug library. Top drug candidates were then examined in multiple mouse xenograft models including subcutaneous tumor growth, experimental lung metastasis, and experimental bone metastasis assays. A subset of compounds including fenbendazole, fluspirilene, clofazimine, niclosamide, and suloctidil showed preferential cytotoxicity and apoptosis towards metastatic prostate cancer cells in vitro and in vivo. The bioavailability of the most discerning agents, especially fenbendazole and albendazole, was improved by formulating as micelles or nanoparticles. The enhanced forms of fenbendazole and albendazole significantly prolonged survival in mice bearing metastases, and albendazole-treated mice displayed significantly longer median survival times than paclitaxel-treated mice. Importantly, these drugs effectively targeted taxane-resistant tumors and bone metastases - two common clinical conditions in patients with aggressive prostate cancer. In summary, we find that metastatic prostate tumor cells differ from benign prostate tumor cells in their sensitivity to certain drug classes. Taken together, our results strongly suggest that albendazole, an anthelmintic medication, may represent a potential adjuvant or neoadjuvant to standard therapy in the treatment of disseminated prostate cancer.

}, keywords = {bone, carcinoma, drug-screen, Metastasis, Prostate}, issn = {2234-943X}, doi = {10.3389/fonc.2020.594141}, author = {Chung, Ivy and Zhou, Kun and Barrows, Courtney and Banyard, Jacqueline and Wilson, Arianne and Rummel, Nathan and Mizokami, Atsushi and Basu, Sudipta and Sengupta, Poulomi and Shaikh, Badaruddin and Sengupta, Shiladitya and Bielenberg, Diane R. and Zetter, Bruce R.} } @article {47696, title = {A universal framework for detecting cis-regulatory diversity in DNA regions}, journal = {Genome Research}, volume = {31}, year = {2021}, month = {SEP}, pages = {1646-1662}, type = {Article}, abstract = {High-throughput sequencing-based assays measure different biochemical activities pertaining to gene regulation, genomewide. These activities include transcription factor (TF)-DNA binding, enhancer activity, open chromatin, and more. A major goal is to understand underlying sequence components, or motifs, that can explain the measured activity. It is usually not one motif but a combination of motifs bound by cooperatively acting proteins that confers activity to such regions. Furthermore, regions can be diverse, governed by different combinations of TFs/ motifs. Current approaches do not take into account this issue of combinatorial diversity. We present a new statistical framework, cisDIVERSITY, which models regions as diverse modules characterized by combinations of motifs while simultaneously learning the motifs themselves. Because cisDIVERSITY does not rely on knowledge of motifs, modules, cell type, or organism, it is general enough to be applied to regions reported by most high-throughput assays. For example, in enhancer predictions resulting from different assays-GRO-cap, STARR-seq, and those measuring chromatin structure-cisDIVERSITY discovers distinct modules and combinations of TF binding sites, some specific to the assay. From protein-DNA binding data, cisDIVERSITY identifies potential cofactors of the profiled TF, whereas from ATAC-seq data, it identifies tissue-specific regulatory modules. Finally, analysis of single-cell ATAC-seq data suggests that regions open in one cell-state encode information about future states, with certain modules staying open and others closing down in the next time point.}, issn = {1088-9051}, doi = {10.1101/gr.274563.120}, author = {Biswas, Anushua and Narlikar, Leelavati} } @article {47654, title = {Unsymmetrical sp(2)-sp(3) disilenes}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {SEP }, pages = {20706-20710}, type = {Article}, abstract = {Disilenes with differently coordinated silicon atoms are not known. Here, we have shown the high yield synthesis of a range of disilenes (2-4 and 6) upon reaction of a hypersilyl silylene PhC(NtBu)(2)SiSi(SiMe3)(3) (1) with aliphatic chlorophosphines. The most striking characteristic of these disilenes is the presence of two differently coordinated Si atoms (one is three-coordinated, the other four-coordinated). The analogous reaction with Ph2PCl did not afford the desired disilene, but, surprisingly, led to the first tetraphosphinosilane (8). DFT calculations were performed to understand the bonding in disilenes and differences in reactivity of the complexes.}, keywords = {chlorophosphine, DFT, disilene, hypersilylsilylene}, issn = {1433-7851}, doi = {10.1002/anie.202107847}, author = {Bisai, Milan Kumar and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47463, title = {Uraria picta: a comprehensive review on evidences of utilization and strategies of conservation}, journal = {Journal of Phytology}, volume = {13}, year = {2021}, month = {APR}, pages = {41-48}, type = {Article}, abstract = {

Uraria\ picta\ (Jacq.) DC. (Prishnaparni) is one of the most important medicinal plants used in different traditional systems of medicines including the Ayurveda and Traditional Chinese medicine. The major use of this plant was found in the most popular Ayurvedic formulation {\textquotedblleft}Dashmula{\textquotedblright} and in several many other important Ayurvedic formulations. IUCN placed this woody herb in the least concern category as per version 3.1. It has extensive therapeutic uses and pharmacological activities. Though this plant is a source of many phytochemicals, the uses are uncertain because the raw plant parts or crude extracts are being used in all formulations. Therefore, extensive investigations are necessary to focus on the identification of these phytochemicals. It is an urgent need to give special attention to collecting various aspects and more efforts are required in all areas for utilization and conservation of this valuable medicinal herb. Herein, a compilation of all information with various aspects has been presented, including the authors published work on\ Uraria picta. This review pursues attention towards biological activity, phytochemical profile, utilization, propagation and conservation of\ Uraria picta.

}, doi = {10.25081/jp.2021.v13.7028}, author = {Bhusare, B. P. and Ahire, M. L. and John, C. K. and Nikam, T. D.} } @article {47102, title = {Visible-light-induced controlled oxidation of N-substituted 1,2,3,4-tetrahydroisoquinolines for the synthesis of 3,4-dihydroisoquinolin-1(2h)-ones and isoquinolin-1(2H)-ones}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {MAR }, pages = {1390-1400}, type = {Article}, abstract = {

A visible light-rose bengal-TBHP mediated, controlled oxidation of N-substituted 1,2,3,4-tetrahydroisoquinolines is developed for the synthesis of 3,4-dihydroisoquinolin-1(2H)-ones and isoquinolin-1(2H)-ones. The present method feature{\textquoteright}s a broad substrate scope, good functional group tolerances, and the products were prepared in good to excellent yields. The developed methodology further demonstrated in the synthesis of isoindolo[2,1-b] isoquinolin-5(7H)-one (topoisomerase-I inhibitor).

}, keywords = {2, 3, 4-Dihydroisoquinolin-1(2H)-one, 4-tetrahydroisoquinolines, Isoquinolin-1(2H)-one, N-substituted 1, Oxidation, Photocatalysis}, issn = {1615-4150}, doi = {10.1002/adsc.202001266, Early Access Date = JAN 2021}, author = {Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {47735, title = {Wastewater treatment and process intensification for degradation of solvents using hydrodynamic cavitation}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {166}, year = {2021}, month = {SEP}, pages = {108485}, type = {Article}, abstract = {Industrial wastewater treatment for removal of small concentrations of harmful solvents is pertinent issue in many chemical and pharmaceutical industries. The present work evaluates removal of three common solvents by hydrodynamic cavitation (nominal capacity, 1m(3)/h). Solvent degradation of three solvents viz. octanol, dimethyl formamide and cyclohexanol was studied in the concentration range of 50-200 mg/L and for the pressure drop range of 0.5-5 bar. The vortex based cavitation device (vortex diode) was compared with that of linear flow based device (orifice). Process intensification in the form of aeration and addition oxidizing agent-hydrogen peroxide was also evaluated for synergistic effect. The vortex diode required lower pressure drop and is superior to orifice and process intensification using aeration is most effective. A reduction in TOC to the extent of 74\% could be achieved for octanol (200 ppm) using aeration with cavitational yield of 1202x10(-4) mg/J for vortex diode, yield similar to 10 times of orifice. The degradation depends on the nature of solvent and it was revealed that low values of dielectric constant (epsilon<10) favour degradation. The kinetics was evaluated using rate model based on per-pass degradation factor. The process techno-economic feasibility is useful in industrial wastewater treatment.}, keywords = {Cavitation, Effluent, Organics removal, Oxidation, pollution}, issn = {0255-2701}, doi = {10.1016/j.cep.2021.108485}, author = {Patil, Pravin B. and Bhandari, Vinay M. and Ranade, Vivek V.} } @article {48228, title = {2-oxoglutarate-dependent dioxygenases drive expansion of steroidal alkaloid structural diversity in the genus Solanum}, journal = {New Phytologist}, volume = {234}, year = {2022}, month = {MAY}, pages = {1394-1410}, type = {Article}, abstract = {

Solanum steroidal glycoalkaloids (SGAs) are renowned defence metabolites exhibiting spectacular structural diversity. Genes and enzymes generating the SGA precursor pathway, SGA scaffold and glycosylated forms have been largely identified. Yet, the majority of downstream metabolic steps creating the vast repertoire of SGAs remain untapped. Here, we discovered that members of the 2-OXOGLUTARATE-DEPENDENT DIOXYGENASE (2-ODD) family play a prominent role in SGA metabolism, carrying out three distinct backbone-modifying oxidative steps in addition to the three formerly reported pathway reactions. The GLYCOALKALOID METABOLISM34 (GAME34) enzyme catalyses the conversion of core SGAs to habrochaitosides in wild tomato S. habrochaites. Cultivated tomato plants overexpressing GAME34 ectopically accumulate habrochaitosides. These habrochaitoside enriched plants extracts potently inhibit Puccinia spp. spore germination, a significant Solanaceae crops fungal pathogen. Another 2-ODD enzyme, GAME33, acts as a desaturase (via hydroxylation and E/F ring rearrangement) forming unique, yet unreported SGAs. Conversion of bitter alpha-tomatine to ripe fruit, nonbitter SGAs (e.g. esculeoside A) requires two hydroxylations; while the known GAME31 2-ODD enzyme catalyses hydroxytomatine formation, we find that GAME40 catalyses the penultimate step in the pathway and generates acetoxy-hydroxytomatine towards esculeosides accumulation. Our results highlight the significant contribution of 2-ODD enzymes to the remarkable structural diversity found in plant steroidal specialized metabolism.

}, keywords = {Solanum, specialized metabolism, steroidal glycoalkaloids (SGAs), structural diversity, Tomato}, issn = {0028-646X}, doi = {10.1111/nph.18064}, author = {Sonawane, Prashant D. and Jozawiak, Adam and Barbole, Ranjit and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Gharat, Sachin A. and Ramot, Ofir and Unger, Tamar and Wizler, Guy and Meir, Sagit and Rogachev, Ilana and Doron-Faigenboim, Adi and Petreikov, Marina and Schaffer, Arthur and Giri, Ashok P. and Scherf, Tali and Aharoni, Asaph} } @article {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 {47425, title = {Advanced genome editing strategies for manipulation of plant specialized metabolites pertaining to biofortification}, journal = {Phytochemistry Reviews}, volume = {21}, year = {2022}, month = {FEB}, pages = {81-99}, type = {Article}, abstract = {

Emerging trends in molecular biology have progressed the knowledge of plant specialized metabolites with respect to diversity in structure, function and biosynthetic pathways. Being powerful genome-editing tools, Zinc Finger Nuclease, Transcription Activator-Like Effector Nuclease, and Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) systems have found potential application in genome and epigenome engineering. CRISPR/Cas9 is being used for studying the functions of multiple genes and gene families in plants. Our analysis suggests that although a rapid progress has occurred for utilization of CRISPR/Cas9 tool in crop improvement, limited studies are available for its application in manipulation of gene clusters of useful specialized metabolites in plants. In this review, after describing briefly about the recent advancements in genome editing techniques, we have further discussed their applicability in the modulation of metabolite production and biofortification of food crops. We have also emphasized the importance of CRISPR/Cas9-based targeted deletion of larger chromosomal fragments or gene clusters towards value addition of crop plants. The current policies for CRISPR/Cas9-edited crop plants in different countries and their acceptability in market place is also discussed. We propose that advanced genome editing techniques, including a multiplex CRISPR/Cas9 system could serve as a versatile tool for rewiring of metabolite gene clusters and improving the levels of useful metabolites in plants.

}, keywords = {Cas9, Chromosomal fragment, CRISPR, Gene cluster, Genome editing, Plant specialized metabolites}, issn = {1568-7767}, doi = {10.1007/s11101-021-09749-1}, author = {Bhambhani, Sweta and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {47743, title = {Alpha Au2S nanoparticles: fungal-mediated synthesis, structural characterization and bioassay}, journal = {Green Chemistry Letters and Reviews}, volume = {15}, year = {2022}, month = {JAN }, pages = {59-68}, type = {Article}, abstract = {Luminescent nanoparticles synthesized via bio-based protocols that generate nanoparticles having different chemical compositions along with other functionalities (size and morphology) have received huge attention. We have focused our research on gold sulfide nanoparticles (Au2S NPs) and have biosynthesized these NPs using the fungus Humicola sp. The nanoparticles were characterized by Transmission Electron Microscopy, which showed spherical morphology of Au2S. UV-Visible-NIR spectrophotometry, luminescence spectrophotometry, Selected Area Electron Diffraction, Energy Dispersive Analysis of X-rays, and X-ray diffraction were performed. FTIR confirmed that the fungal metabolites including biomolecules secreted in the reaction medium are primarily responsible for nanoparticle synthesis and stabilization. The fungus reduced the precursor solution (HAuCl4 and Na2SO3) and at the same time capped them with secreted biomolecules. The anti-leishmanial activity of Au2S NPs was determined against L. donovani promastigote (Ag83 strain). Au2S NPs displayed less cytotoxicity towards both normal and cancer (Daudi, ZR-75-1) cell lines. Hemocompatibility was determined via hemolysis assays. This novel fungal-based system demonstrates an economical and environmentally benign process for biosynthesis of Au2S nanoparticles which may find application in bioimaging and labeling studies.}, keywords = {Biosynthesis, Cytotoxicity, Gold sulfide, Hemolysis, humicola sp, promastigote}, issn = {1751-8253}, doi = {10.1080/17518253.2021.1999509}, author = {Syed, Asad and Al Saedi, Marzouq H. and Bahkali, Ali H. and Elgorgan, Abdallah M. and Kharat, Mahesh and Pai, Kalpana and Pichtel, John and Ahmad, Absar} } @article {46622, title = {Amide-linked monocarbonyl curcumin analogues: efficient synthesis, antitubercular activity and molecular docking study}, journal = {Polycyclic Aromatic Compounds}, volume = {45}, year = {2022}, month = {MAY}, pages = {2655-2671}, type = {Article}, abstract = {

An approach toward the synthesis of novel conjugates of 3,5-bis (arylidene)-4-piperidones (DAP) pharmacophore with amide-linkage has been developed via one-pot multicomponent reaction of aryl aldehydes, piperidinone and 2-chloro-N-phenylacetamide using [Et3NH][HSO4] as a catalyst/medium. Both substitutions on arylidene rings and piperidinone nitrogen (substituted 2-chloro-N-phenylacetamide) were varied. The synthesized conjugates were evaluated for their in vitro antitubercular activity against M. tuberculosis H37Ra (MTB) and M. bovis BCG strains. Among the series, compounds 4f, 4g, 4i and 4j showed remarkable broad spectrum antitubercular activity with low IC50 values. Furthermore, computer docking simulations, for the most active conjugates were performed with the active site of mycobacterial enoyl-acyl carrier protein reductase (InhA) support the antitubercular activity. Lower cytotoxicity, high potency and promising activity against MTB and M. Bovis BCG suggest that amide linked DAP could serve as good leads for further modifications and development.

}, keywords = {antimycobacterial activity, Bis (arylidene)-4-piperidones, Cytotoxicity, Ionic liquid, Molecular docking Study}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1852288}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nagargoje, Amol A. and Akolkar, V. Satish and Bhansali, Sujit G. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {48123, title = {Amino acid-derived ABCBA-type antifouling biohybrid with multi-stimuli responsivity and contaminant removal capability}, journal = {Polymer Chemistry}, volume = {13}, year = {2022}, month = {APR}, pages = {1960-1969}, type = {Article}, abstract = {

Multi-stimuli (pH/thermo/redox)-responsive amphiphilic poly(cysteine methacrylamide)-block-poly(2-(dimethylamino)ethyl methacrylate)-block-polybutadiene-block-poly(2-(dimethylamino)ethyl methacrylate)-block-poly(cysteine methacrylamide) (PCysMAM-b-PDMAEMA-b-PB-b-PDMAEMA-b-PCysMAM) pentablock copolymer biohybrids, based on hydrophobic PB, ampholytic redox responsive PCysMAM and dual (pH and temperature) stimuli responsive PDMAEMA segments, are synthesized via a four-step synthesis protocol. The synthesis protocol involves: (1) in situ post polymerization modification of living polybutadiene-based carbanionic species to prepare hydroxyl terminated polybutadiene (HTPB); (2) introduction of an initiating functionality (capable of acting as an ATRP initiator) to HTPB, yielding a telechelic ATRP macroinitiator (Br-PB-Br); (3) recyclable alloy-mediated successive RDRP of DMAEMA and CysMAM, yielding a series of PCysMAM-b-PDMAEMA-b-PB-b-PDMAEMA-b-PCysMAM (A-B-C-B-A) pentablock copolymers with various chain lengths; and (4) conversion of the PDMAEMA block to poly(quaternary ammonium) (PQA) via quaternization. The stimuli responsiveness of the copolymer is investigated against changes in pH, temperature and redox. The pentablock copolymer self-assembles into spherical nanospheres, can switch between its monocationic, zwitterionic and monoanionic charged states, exhibits antifouling behaviour and is capable of removing ionic contaminants from water. These pentablock copolymers may emerge as a promising material for emerging applications.

}, issn = {1759-9954}, doi = {10.1039/d2py00280a}, author = {Kumar, Devendra and Mohammad, Sk Arif and Kumar, Anand and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {48379, title = {Association-dissociation dynamics of ionic electrolytes in low dielectric medium}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JAN}, pages = {239-248}, type = {Article}, abstract = {

Ionic electrolytes are known to form various complexes which exist in dynamic equilibrium in a low dielectric medium. However, structural characterization of these complexes has always posed a great challenge to the scientific community. An additional challenge is the estimation of the dynamic association-dissociation time scales (lifetime of the complexes), which are key to the fundamental understanding of ion transport. In this work, we have used a combination of infrared absorption spectroscopy, two-dimensional infrared spectroscopy, molecular dynamics simulations, and density functional theory calculations to characterize the various ion complexes formed by the thiocyanate-based ionic electrolytes as a function of different cations in a low dielectric medium. Our results demonstrate that thiocyanate is an excellent vibrational reporter of the heterogeneous ion complexes undergoing association-dissociation dynamics. We find that the ionic electrolytes exist as contact ion pairs, dimers, and clusters in a low dielectric medium. The relative ratios of the various ion complexes are sensitive to the cations. In addition to the interactions between the thiocyanate anion and the countercation, the solute-solvent interactions drive the dynamic equilibrium. We have estimated the association-dissociation dynamics time scales from two-dimensional infrared spectroscopy. The exchange time scale involving the cluster is faster than that between a dimer and an ion pair. Moreover, we find that the dynamic equilibrium between the cluster and another ion complex is correlated to the solvent fluctuations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c08613}, author = {Ghosh, Deborin and Sakpal, Sushil S. and Chatterjee, Srijan and Deshmukh, Samadhan H. and Kwon, Hyejin and Kim, Yung Sam and Bagchi, Sayan} } @article {48346, title = {Blue fluorescence of cyano-tryptophan predicts local electrostatics and hydrogen bonding in biomolecules}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {DEC}, pages = {10732-10740}, type = {Article}, abstract = {

Cyano-tryptophan is an unnatural fluorescent amino acid that emits in the visible region. Along with the structural similarity with tryptophan, the unique photophysical properties of this fluorophore make it an ideal probe for biophysical research. Herein, combining fluorescence spectroscopy, infrared spectroscopy, and molecular dynamics simulations, we show that the cyano-tryptophan{\textquoteright}s emission energy quantifies the underlying bond-specific noncovalent interactions in terms of the electric field. We further report the use of fluorophore{\textquoteright}s emission energy to predict its hydrogen bond characteristics. We demonstrate that combining experiments with molecular dynamics simulations can provide the hydrogen bonding status of the nitrile moiety. In addition, we report a method to differentiate between aqueous and nonaqueous hydrogen-bonding partners. Using a phenomenological approach, we demonstrate that the presence of the cyano-indole moiety is responsible for the distinct correlations between the fluorophore{\textquoteright}s emission and the electrostatic forces on the nitrile bond. As indole is a privileged scaffold for both native amino acids and nucleobases, cyano-indoles will have many multifaceted applications.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c05848}, author = {Haldar, Tapas and Chatterjee, Srijan and Alam, Md Nirshad and Maity, Pradip and Bagchi, Sayan} } @article {47795, title = {Cardol: Cashew nut shell liquid (CNSL) - derived starting material for the preparation of partially bio-based epoxy resins}, journal = {European Polymer Journal}, volume = {166}, year = {2022}, month = {MAR}, pages = {111029}, type = {Article}, abstract = {Cardol is one of the interesting constituents of cashew nut shell liquid (CNSL) - a by-product of cashew processing industry- and it amounts to 15{\textendash}20\% by weight in natural CNSL. Chemically, cardol is a 15-carbon chain-substituted resorcinol wherein the side chain predominately contains mixture of one, two and three double bonds. Cardol on reaction with epichlorohydrin in the presence of sodium hydroxide afforded diglycidyl ether of cardol (DGEC). DGEC is a viscous free-flowing liquid (bulk viscosity 70 cP at 25~{\textdegree}C) and thus offers advantages in terms of ease of processing. DGEC and various compositions of DGEC with commercially available diglycidyl ether of bisphenol A (DGEBA) were cured with two amine hardeners, namely, isophorone diamine (IPDA) and diethylene triamine (DETA). The effects of different ratios of amine/epoxy (nah/ne) on cure characteristics were studied. The epoxy thermosets were characterized by DSC, TGA, DMA and tensile testing. DSC analysis showed glass transition temperature (Tg) values in the range 63{\textendash}155~{\textdegree}C for IPDA-cured thermosets, while DETA-cured thermosets exhibited Tg values in the range 45{\textendash}145~{\textdegree}C. Td5\% values, determined by TG analysis of epoxy thermosets, were in the range 347{\textendash}359~{\textdegree}C indicating their reasonably good thermal stability. Dynamic mechanical analysis showed storage modulus (E{\textquoteright}) in the range 0.75{\textendash}2.54 GPa and 0.51{\textendash}2.24 GPa for IPDA-cured and DETA-cured thermosets, respectively. The E{\textquoteright} value of epoxy thermosets was found to decrease with increase in molar proportion of DGEC in the formulations with DGEBA while elongation at break was found to increase from 3.1\% to 9.7\% and 2.8\% to 5.1\% for IPDA- and DETA-cured systems, respectively. SEM images of cryogenically fractured surfaces of cured thermosets based on studied compositions of DGEBA and DGEC did not indicate any phase separation implying homogeneous mixing of both the epoxy resins.}, keywords = {bio-based, Cardol, cashew nut shell liquid (CNSL), Epoxy resins, Storage modulus}, issn = {0014-3057}, doi = {https://doi.org/10.1016/j.eurpolymj.2022.111029}, url = {https://www.sciencedirect.com/science/article/pii/S0014305722000337}, author = {Ketan Makwana and Amol B. Ichake and Vinayak Valodkar and G. Padmanaban and Manohar V. Badiger and Prakash P. Wadgaonkar} } @article {47895, title = {Catalytic activity of CuFe2O4 spinel oxide for liquid-phase oxidation of cinnamyl alcohol}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {FEB}, pages = {e202104441}, type = {Article}, abstract = {

CuFe2O4 spinel oxide catalyst was synthesized by sol-gel and co-precipitation methods for liquid phase oxidation of Cinnamyl alcohol (CnOH) to Cinnamaldehydes (CnHO) using tert-Butyl hydroperoxide (TBHP) as oxidising agent. Spinel oxide catalyst was characterized by different techniques such as X-ray diffraction (XRD), N-2 adsorption-desorption, BET surface area, and X-ray photoelectron spectroscopy (XPS) to understand the structural, physical properties and oxidation state of the catalyst. The result shows that catalyst prepared by sol-gel method was found higher surface area and smaller crystalline size than co-precipitation method. XPS data confirm the formation of Cu2+ in the spinel which helps to improve the catalytic activity of oxidation. This reaction follows radical mechanism, and exhibited 76.7 \% of CnOH conversion and 68.4 \% of CnHO, and 24.8 \% benzaldehyde (benzald) selectivity using TBHP at 60 degrees C. Kinetic data reveal that 41.2 kJ/mol of activation energy for the reaction. The higher activity of spinel oxide catalyst could be due synergetic effect of spinel (88 \%) and oxides (12 \%) formed in the catalyst, which helps to provide the oxygen during reaction. The contribution of Cu2+ is higher in sol-gel than co-precipitation, which may provide the better reactivity of catalyst. This work helps to select the effective and cost-effective catalyst for the oxidation of CnOH.

}, keywords = {Catalysts, Cinnamaldehyde, Cinnamyl Alcohol, Cupper, iron, oxide, spinel}, issn = {2365-6549}, doi = {10.1002/slct.202104441}, author = {Dange, Rutvija M. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48206, title = {CdSe quantum dot-based nanocomposites for ultralow-power memristors}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {JUN}, pages = {8502-8510}, type = {Article}, abstract = {

The explosion in digital communication with the huge amount of data and the internet of things (IoT) led to the increasing demand for data storage technology with faster operation speed, high-density stacking, nonvolatility, and low power consumption for saving energy. Metal chalcogenide-based quantum dots (QDs) show excellent nonvolatile resistive memory behavior owing to their tunable electronic states and control in trap states by passivating the surface with different ligands. Here, we synthesized high-quality colloidal monodispersed CdSe QDs by the hot injection method. The CdSe QDs were blended with an organic polymer, poly(4-vinylpyridine) (PVP), to fabricate an Al\textbackslashCdSe-PVP\textbackslashAl device. Our device shows excellent bipolar nonvolatile resistive random access memory (RRAM) switching behavior with a high current ON/OFF ratio (I-ON/OFF) of 6.1 x 10(4), and it consumes ultralow power. The charge trapping and detrapping in the potential well formed by the CdSe QD and PVP combination result in resistive switching. This CdSe-PVP-based resistive random access memory (RRAM) device with a high I-ON/OFF, ultrafast switching speed, high endurance, low operating voltage, and long retention period can be used as a high-performance and ultralow-power memristive device.

}, keywords = {memory switching, memristor, metal chalcogenides, nonvolatile, quantum dots}, doi = {10.1021/acsanm.2c01894}, author = {Bera, Jayanta and Betal, Atanu and Sharma, Ashish and Shankar, Uday and Rath, Arup Kumar and Sahu, Satyajit} } @article {48020, title = {C-O hydrogenolysis of C3-C4 polyols selectively to terminal diols over Pt/W/SBA-15 catalysts}, journal = {Catalysts}, volume = {12}, year = {2022}, month = {SEP}, pages = {1070}, type = {Article}, abstract = {

Pt/W/SBA-15 catalysts (with Pt-loading = 0.5-4 wt\% and W-loading = 1 wt\%) prepared by the sequential impregnation method were evaluated for selective C-O cleavage of erythritol and glycerol in an aqueous medium. The Pt and W particles dispersed on SBA-15 approached close proximity at higher Pt loadings and afforded synergistic enhancement in C-O hydrogenolysis activity/selectivity. 1,4-Butanediol yields of 30.9\% (at 190 degrees C, 50 bar H-2 and 24 h) and 1,3-propanediol yields of 34.4\% (at 190 degrees C, 50 bar H-2 and 12 h of reaction) were obtained over these catalysts. Pt nanoparticles (facilitating dissociative H-2 adsorption and spillover) and W (present as acidic oligomeric WOx species; activating and coordinating the polyol via 1 degrees-OH group) worked in tandem for the selective hydrogenolysis of polyols yielding terminal diols of industrial demand.

}, keywords = {diol, Erythritol, Glycerol, Hydrodeoxygenation, Pt, SBA-15, W}, doi = {10.3390/catal12091070}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Marimuthu, Banu and Darbha, Srinivas} } @article {48420, title = {Cobalt-immobilized carbon-based nano-catalyst for Csingle bondN cross coupling reaction}, journal = {Results in Chemistry}, volume = {4}, year = {2022}, month = {JAN}, pages = {100682}, type = {Article}, abstract = {

Csingle bondN\ cross coupling reaction\ is very important in synthesis of pharmaceuticals,\ natural products,\ agrochemicals, fine chemicals and functional materials. Traditionally,\ palladium\ or copper metals are used for Csingle bondN coupling reaction. As palladium is expensive, we developed cobalt immobilized carbon-based nano-catalyst Co@CC for Csingle bondN coupling. In this work, we synthesized non-noble metal-based Co@CC nano-catalyst by\ carbonization\ of glucose, it{\textquoteright}s functionalization followed by immobilization of cobalt on the surface of the catalyst. The catalyst was well characterized. The Csingle bondN cross coupling reaction of various aryl\ halides\ \& amines using Co@CC nano-catalyst was optimized for solvent, reaction temperature \& catalyst\ concentration conditions. The catalyst showed high catalytic activity for Csingle bondN coupling of various aryl halides \& amines to form aryl amines in good to excellent yield up to 91\ \% in\ sulfolane\ as a solvent at 150\ {\textdegree}C. The catalyst showed recyclability up to 5 times. The method developed for Csingle bondN coupling reaction was noble metal free, ligand free, recyclable, sustainable, economical \& environmentally friendly.

}, doi = {10.1016/j.rechem.2022.100682}, author = {Bankar, Shubham R. and Kirdant, Swapnali P. and Jadhav, Vrushali H.} } @article {48166, title = {Colloidal MoS2 quantum dots for high-performance low power resistive memory devices with excellent temperature stability}, journal = {Applied Physics Letters}, volume = {120}, year = {2022}, month = {JUN}, pages = {253502}, type = {Article}, abstract = {

Conventional memory technologies are facing enormous problems with downscaling, and are hence unable to fulfill the requirement of big data storage generated by a huge explosion of digital information. A resistive random access memory device (RRAM) is one of the most emerging technologies for next-generation computing data storage owing to its high-density stacking, ultrafast switching speed, high non-volatility, multilevel data storage, low power consumption, and simple device structure. In this work, colloidal MoS2 quantum dots (QDs) embedded in an insulating matrix of poly-(4vinylpyridine) (PVP) were used as an active layer to fabricate a RRAM device. The MoS2 QDs-PVP based RRAM device reveals an excellent nonvolatile resistive switching (RS) behavior with a maximum current on-off ratio (I-ON/I-OFF) of 10(5). High endurance, long retention time, and successive {\textquoteleft}{\textquoteleft}write-read-erase-read{\textquoteright}{\textquoteright} cycles indicate high-performance RRAM characteristics. The ultimate power consumption by this RRAM device is considerably low for energy saving. In addition, the MoS2 QDs-PVP based device shows RS behavior even at 130 degrees C. High I-ON/I-OFF, low operating power, high endurance, long retention time, and excellent stability with temperatures reveal that the MoS2 QDs-PVP based device can be a promising candidate for high-performance low power RRAM devices that can be operated at relatively higher temperatures. Published under an exclusive license by AIP Publishing.

}, issn = {0003-6951}, doi = {10.1063/5.0094892}, author = {Bera, Jayanta and Betal, Atanu and Sharma, Ashish and Rath, Arup Kumar and Sahu, Satyajit} } @article {48233, title = {Comparative analysis and structural modeling of elaeis oleifera FAD2, a fatty acid desaturase involved in unsaturated fatty acid composition of american oil palm}, journal = {Biology-Basel}, volume = {11}, year = {2022}, month = {APR}, pages = {529}, type = {Article}, abstract = {

Simple Summary Palm oil has become the world{\textquoteright}s most important vegetable oil in terms of production quantity, and its overall demand is exponentially growing with the global population. The fatty acid composition and particularly the oleic/linoleic acid ratio are major factors influencing palm oil quality. In this study, we focused on FAD2, a fatty acid desaturase enzyme involved in the desaturation and conversion of oleic acid to linoleic acid in Elaeis oleifera, identified through in silico annotation analysis. Our phylogenetic and comparative studies revealed two SNP markers, SNP278 and SNP851, significantly correlated with the oleic/linoleic acid contents. Our study provides fundamental insights into the mechanism of fatty acids synthesis in oil palm and could support the application of molecular biology techniques to enhance the enzymatic activity and substrate affinity of EoFAD2. American oil palm (Elaeis oleifera) is an important source of dietary oil that could fulfill the increasing worldwide demand for cooking oil. Therefore, improving its production is crucial and could be realized through breeding and genetic engineering approaches aiming to obtain high-yielding varieties with improved oil content and quality. The fatty acid composition and particularly the oleic/linoleic acid ratio are major factors influencing oil quality. Our work focused on a fatty acid desaturase (FAD) enzyme involved in the desaturation and conversion of oleic acid to linoleic acid. Following the in silico identification and annotation of Elaeis oleifera FAD2, its molecular and structural features characterization was performed to better understand the mechanistic bases of its enzymatic activity. EoFAD2 is 1173 nucleotides long and encodes a protein of 390 amino acids that shares similarities with other FADs. Interestingly, the phylogenetic study showed three distinguished groups where EoFAD2 clustered among monocotyledonous taxa. EoFAD2 is a membrane-bound protein with five transmembrane domains presumably located in the endoplasmic reticulum. The homodimer organization model of EoFAD2 enzyme and substrates and respective substrate-binding residues were predicted and described. Moreover, the comparison between 24 FAD2 sequences from different species generated two interesting single-nucleotide polymorphisms (SNPs) associated with the oleic/linoleic acid contents.

}, keywords = {FAD2, Fatty acids, in silico annotation, linoleic acid ratio, oil palm, oleic, SNP, structural modeling}, doi = {10.3390/biology11040529}, author = {Ben Ayed, Rayda and Chirmade, Tejas and Hanana, Mohsen and Khamassi, Khalil and Ercisli, Sezai and Choudhary, Ravish and Kadoo, Narendra and Karunakaran, Rohini} } @article {48115, title = {Composition and surface morphology invariant high on-off ratio from an organic memristor}, journal = {ACS Applied Electronic Materials}, volume = {4}, year = {2022}, month = {MAR }, pages = {1109-1116}, type = {Article}, abstract = {

Material composition plays a crucial role in the device performance; thus, nonvolatile memory devices from a small molecule named 5-mercapto-1-methyl tetrazole (MMT) in an insulating polymer matrix of poly(4-vinyl pyridine) (PVP) were fabricated. The composition of the active material in the device was varied to observe its influence on the device{\textquoteright}s electronic properties. The device with a more or less weight ratio of MMT has a much smoother surface morphology, whereas when the contributions of MMT and PVP were equal, the average surface roughness increased. However, the maximum on-off current ratio for all the devices is 10(5), suggesting that the MMT molecule does not show any change in its characteristic properties when surrounded by an insulating material. When the device was fabricated without the polymer matrix, the surface morphology of the device completely changed as it was filled with large holes. These holes provide short-circuited pathways for the current by forming the direct metal contact between the top and bottom electrodes. The carrier transport through these devices follows various conduction mechanisms. Some of the dominating conduction mechanisms are direct tunneling and trap-free and trap-assisted space-charge-limited conduction.

}, keywords = {Nonvolatile memory, Polymer, small molecule, space-charge, tunneling}, doi = {10.1021/acsaelm.1c01234}, author = {Betal, Atanu and Bera, Jayanta and Sharma, Ashish and Rath, Arup K. and Sahu, Satyajit} } @article {48383, title = {Computational insights into hydroboration with acyclic alpha-Borylamido-germylene and stannylene catalysts: Cooperative dual catalysis the key to system efficiency}, journal = {Polyhedron}, volume = {222}, year = {2022}, month = {AUG}, pages = {115907}, type = {Article}, abstract = {

The chemistry of low valent main group compounds has grown as an alternative to the chemistry of less abundant and less green transition metal complexes. It has been found that low valent compounds such as carbenes, silylenes, stannylenes and germylenes are efficient for activating small molecules and for catalysis. However, the reaction mechanism and the factors that affect the rate of reaction are not completely understood. In this computational investigation with density functional theory (DFT), we investigate and demonstrate the efficiency of a new mechanism for the hydroboration of aldehydes by germylenes and stannylenes, in the presence of the common hydroborating agent, pinacolborane, HBpin. This mechanism involves an HBpin molecule as an additional catalyst that cooperates with the germylene or stannylene catalyst to efficiently carry out the hydroboration. This mechanism is first demonstrated to work for experimentally reported systems, and then shown to be efficient for newly proposed germylene and stannylene systems. These new systems are alpha-Borylamido-germylene ((2,6-iPr(2)C(6)H(3)NBCy(2))(2)Ge(II)) and alpha-Borylamido-stannylene((2,6-iPr(2)C(6)H(3)NBCy(2))(2)Sn(II)). These new insights will help researchers look into low valent germylene and stannylene chemistry from a new perspective.

}, keywords = {Catalysis of hydroboration, computational chemistry, Germylenes and stannylenes, Main group chemistry, New mechanism}, issn = {0277-5387}, doi = {10.1016/j.poly.2022.115907}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {48355, title = {Concise total synthesis of (+)-lanceolactone a: revision of absolute stereochemistry}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {OCT}, pages = {12867-12876}, type = {Article}, abstract = {

A chiral-pool protecting-group-free five-step total synthesis of tetranorsesquiterpenoide (+)-lanceolactone A and all of its four stereoisomers using (S)-(+)-, and (R)-(-)-linalool (coriandrol) as building blocks is disclosed. The key steps involved in this synthetic route are regioselective ozonolysis, Au(I)-catalyzed cycloisomerization-induced construction of furan from alleneone, and dye-sensitized photo-oxidation (through O-1(2) ; singlet oxygen) of hydroxyalkyl-tethered furan to access oxaspirolactone. After a thorough evaluation of electronic circular dichroism (ECD) and optical rotation data of all possible stereoisomers, the absolute configuration of natural lanceolactone A at the C4 and C7 positions has been assigned as (+)-(4S,7S), which is an enantiomer to the initially proposed structure (+)-(4R,7R). Further, these investigations led us to extend Feringa and Gawronski{\textquoteright}s CD correlation method to [5,5]- and [6,5]-oxaspirolactones.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c01450}, author = {Borade, Balasaheb R. and Kontham, Ravindar} } @article {48222, title = {Controlled modulation of the structure and luminescence properties of zero-dimensional manganese halide hybrids through structure-directing metal-ion (Cd2+ and Zn2+) centers}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {APR}, pages = {5363-5372}, type = {Article}, abstract = {

Zero-dimensional (0D) metal halide hybrids with high exciton binding energy are excellent materials for lighting applications. Controlling/modulating the structure of the con-stituent metal halide units allows tunability of their photo-luminescence properties. 0D manganese halide hybrids are currently attracting research efforts in lighting applications due to their eco-friendly and strong emission. However, structural transformation-induced tunability of their photophysical propertieshas rarely been reported. Herein, we demonstrate a rationalsynthetic strategy to modulate the structure and luminescenceproperties of 0D Mn(II) halide hybrids utilizing the structure-directing d10metal ions (Cd2+/Zn2+). 0D metal halide hybrids ofCd2+/Zn2+, which act as hosts with tunable structures, accept Mn2+ions as substitutional dopants. This structural flexibility of thehost d10metal ions is realized by optimizing the metal-to-ligand ratio (Cd/AEPip). This reaction parameter allows structuraltransformation from an octahedral (AEPipCdMnBrOh) to a tetrahedral (AEPipCdMnBrTd) 0D Mn halide hybrid with tunableluminescence (orange -\> green) with high photoluminescence quantum yield. Interestingly, when Zn2+is utilized, a tetrahedralAEPipZnMnBr structure forms exclusively with strong green emission. Optical and single-crystal X-ray diffraction structural analysisof the host and the doped system supports our experimental data and confirms the structure-directing role played by Cd2+/Zn2+centers. This work demonstrates a rational strategy to modulate the structure/luminescence properties of 0D Mn(II) halide hybrids, which can further be implemented for other 0D metal halide hybrids

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00160}, author = {Das, Deep Kumar and Bakthavatsalam, Rangarajan and Anilkumar, Vishnu and Mali, Bhupendra P. and Ahmed, Md Soif and Raavi, Sai Santosh Kumar and Pallepogu, Raghavaiah and Kundu, Janardan} } @article {48372, title = {Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids}, journal = {Drug Development Research}, volume = {83}, year = {2022}, month = {APR}, pages = {416-431}, type = {Article}, abstract = {

Drug resistance in tuberculosis poses a serious threat to humanity because currently available antitubercular drugs are ineffective against Mycobacterium tuberculosis (M. tuberculosis). As a result, the approval of Bedaquiline and Delamanid for the treatment of drug-resistant tuberculosis was accelerated. Still, there is an urgent need to search for new antitubercular drugs with novel mechanisms of action (MoA). Due to this, we have designed a synthetic strategy by utilizing microwave-assisted organic synthesis. We have compared our method with the conventional procedure, and the data show that our procedure is more effective in the preparation of title compounds. A unique series of 1-(2-(furan-2-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)-pr op-2-en-1-ones (5a-o) was synthesized utilizing conventional and microwave-assisted techniques. Synthetic compounds were investigated for antitubercular activity against Mycobacterium TB H37Ra and Mycobacterium bovis (M. bovis). Compound 5b was reported to be the most effective against M. tuberculosis H37Ra (97.69 percent inhibition at 30 mu g/ml) and M. bovis (97.09 percent inhibition at 30 mu g/ml). An in silico binding affinity study of mycobacterial enoyl-acyl carrier protein reductase (InhA) reveals the binding mechanism and thermodynamic interactions that determine these molecule{\textquoteright}s binding affinity. Compound 5b had a high glide score of -8.991 and low glide energy of -49.893 kcal/mol.

}, keywords = {Antitubercular activity, microwave-assisted organic synthesis, Molecular docking}, issn = {0272-4391}, doi = {10.1002/ddr.21872}, author = {Desai, Nisheeth C. and Bhatt, Kandarp and Jadeja, Dharmpalsinh J. and Mehta, Harsh K. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article {48121, title = {Crystalline xylitol production from corncob biomass with oral toxicity analysis}, journal = {Industrial Crops and Products}, volume = {187}, year = {2022}, month = {NOV }, pages = {115407}, type = {Article}, abstract = {

Xylitol, a five-carbon sugar alcohol, has a steady global market and finds application as a natural sugar substitute in various food and confectionery products. Biocatalytic xylitol production, although touted as a greener alternative to conventional chemical catalysis, suffers from certain challenges, the primary being high cost of production. This study demonstrates a process for food-grade xylitol production from corncob biomass with energy reduction through two major process modifications. A non-conventional fermentation strategy was adopted whereby adjusting aeration without agitation, xylitol with high yield (0.86 +/- 0.015 g/g), and productivity (0.74 gL(-1)h(-1)) could be produced by a GRAS Pichia caribbica MTCC 5703 strain. Xylitol was recovered from the broth in the form of crystals using a combination of membrane-based filtration and crystallization. The crystals demonstrated similar to 98 \% purity when quantified with H-1 NMR. Oral toxicity analysis of the crystals demonstrated no adverse effect in female Winstar rats (at a loading of 2000 mg/kg body weight of animals). Overall process statistics showed that 0.584 kg of food-grade xylitol crystals could be produced from 3.5 kg of corncob biomass. The two-process modifications during fermentation and xylitol recovery enabled an energy saving of similar to 20.842 kW/kg of crystals, providing tremendous advantages for biorefinery-based large-scale xylitol production from corncob biomass.

}, keywords = {Biomass, Fermentation, Oral toxicity analysis, Wastewater treatment, xylitol}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2022.115407}, author = {Ahuja, Vishal and Dasgupta, Diptarka and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and More, Snehal and Gupta, Piyush and Behera, Babita and Bhaskar, Thallada} } @article {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 {48146, title = {Design and synthesis of eugenol/isoeugenol glycoconjugates and other analogues as antifungal agents against Aspergillus fumigatus}, journal = {RSC Medicinal Chemistry}, volume = {13}, year = {2022}, month = {AUG}, pages = {955-962}, type = {Article}, abstract = {

Glycoconjugates are biologically significant molecules as they tend to serve a wide range of intra- and extra-cellular processes depending on their size and complexity. The secondary metabolites of the plant Myristica fragrans, eugenol and isoeugenol, have shown antifungal activities (IC50 1900 mu M). Therefore, we envisioned that glycoconjugates based on these two scaffolds could prove to be potent antifungal agents. Triazole-containing compounds have shown prominent activities as antifungal agents. Based on this, we opined that a Cu(i) catalyzed click reaction could serve as the bridging tool between a eugenol/isoeugenol moiety and sugars to synthesize eugenol/isoeugenol based glycoconjugates. In our present work, we have coupled propargylated eugenol/isoeugenol and azido sugar to furnish eugenol/isoeugenol based glycoconjugates. In another approach, we have carried out hydroxylation of the double bond of eugenol and subsequent azidation of a primary alcohol followed by intramolecular coupling reactions leading to various other analogues. All the synthesized compounds were assayed against an opportunistic pathogenic fungus, Aspergillus fumigatus. Among the synthesized compounds, two analogues have exhibited significant antifungal activities with IC50 values of 5.42 and 9.39 mu M, respectively. The study suggested that these two analogues inhibit cell wall-associated melanin hydrophobicity along with the number of conidia. The synthesized compounds were found to be non-cytotoxic to an untransformed cell line.

}, doi = {10.1039/d2md00138a}, author = {Goswami, Lakshmi and Gupta, Lovely and Paul, Sayantan and Vermani, Maansi and Vijayaraghavan, Pooja and Bhattacharya, Asish K.} } @article {48007, title = {Design of hydrodynamic cavitation assisted intensified tertiary treatment unit for effective degradation of organic micropollutants in pharmaceutical industrial effluent: a case study with triclosan}, journal = {Journal of Water Process Engineering}, volume = {49}, year = {2022}, month = {OCT}, pages = {103132}, type = {Article}, abstract = {

Increasing occurrence of micropollutants and trace amount of persistent organic contaminants (POC{\textquoteright}s) in the wastewater streams even after the well-established conventional treatment is a threat to human health, aquatic entities, and constitute a formidable challenge for the ecological security. In this regard, hydrodynamic cavi-tation based advanced oxidation treatment has attracted extensive attention towards removal of such micro scale pollutants from wastewater streams in the present scenario. Hence, the present work demonstrates the design and application of a rotating hydrodynamic cavitation (RHC) reactor with stator-rotor arrangement for effective degradation of organic micropollutants (triclosan being taken as the target pollutant) from tertiary effluents occurring in the pharmaceutical sector. The process performance was evaluated through optimization of geo-metric parameters of the reactor, various operating parameters as well as by studying the sole and synergistic performance of the HC process combined with other AOPs. The maximum degradation of Triclosan (TCS) ach-ieved by RHC alone was found to be 35.2 \% and in synergism, with ozone, a maximum of 97.6 \% degradation was observed. Further, to ensure the mineralization of the components, total organic carbon (TOC) contents of the samples were measured and the degradation pathway was predicted through LC-MS analysis. The techno-economic feasibility of the process were understood through economic and energetic analysis and technology transfer was done for replicating the same study for a pilot scale reactor.

}, keywords = {Advanced oxidation process, Hydrodynamic cavitation, Micropollutant, Pharmaceutical effluent, Tertiary treatment}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2022.103132}, author = {Mishra, Birupakshya and Mukherjee, Anupam and Mullick, Aditi and Bhandari, Vinay M. and Moulik, Siddhartha} } @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 {48369, title = {Developing spherical activated carbons from polymeric resins for removal of contaminants from aqueous and organic streams}, journal = {International Journal of Environmental Science and Technology}, volume = {19}, year = {2022}, month = {OCT}, pages = {10021-10040}, type = {Article}, abstract = {

Spherical activated carbons from polymer resin were developed with metal modifications, before/after carbonization using copper and nickel, for gradation of zeta potential (-5.01 to 8.64 mV) and high metal loading (up to 12.3\%). The materials provide improved removal of various contaminants from aqueous and organic streams-removal of bacteria from water and sulfur removal from fuel. The metal-modified spherical activated carbons were highly effective for removal of both gram-negative E. coli and gram-positive S. aureus bacteria. The copper-modified spherical activated carbon could eliminate 99.9-100\%, both bacterial content proving efficacy in water disinfection with a very high rate similar to 1.33 x 10(5) (CFU/ml.s). The zeta potential has significant impact with higher disinfection for high values; similar to 10-15\% disinfection can be improved up to 100\% for zeta potential changes from -5 to 8.6 mV. Kinetics of disinfection was studied by accounting for zeta potential in the conventional rate model, and the efficacy of both the models was compared. The fit of revised model was excellent. The spherical activated carbons can be useful for removal of slightly polar contaminants from organic streams and a high capacity of 12.8, 20 and 28 mgS/g for thiophene, benzothiophene and dibenzothiophene, respectively. The developed materials can provide useful applications in the area of environmental pollution control. [GRAPHICS] .

}, keywords = {Adsorption, Material, pollution, Sulfur removal, Water disinfection}, issn = {1735-1472}, doi = {10.1007/s13762-021-03684-6}, author = {Mane, M. B. and Bhandari, V. M.} } @article {48197, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense.}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {

Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenyl-propanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.

}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {10.1016/j.plantsci.2021.111120}, author = {Kallure, Gopal S. and Shinde, Balkrishna A. and Barvkar, Vitthal T. and Kumari, Archana and Giri, Ashok P.} } @article {47798, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenylpropanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {https://doi.org/10.1016/j.plantsci.2021.111120}, url = {https://www.sciencedirect.com/science/article/pii/S0168945221003162}, author = {Gopal S. Kallure and Balkrishna A. Shinde and Vitthal T. Barvkar and Archana Kumari and Ashok P. Giri} } @article {47764, title = {Different mechanical responses of dimorphic forms of anthracene schiffbase crystal}, journal = {Journal of Molecular Structure}, volume = {1252}, year = {2022}, month = {MAR}, pages = {132182}, type = {Article}, abstract = {We obtained concomitant dimorphic forms of Anthracene Schiffbase (N-(anthracen-9-yl methylene)-2,5dichloroaniline) from hexane solvent. Two polymorphs can be differentiated by their morphology and mechanical properties. One form is long acicular type and elastically bendable while another form is block shaped and brittle in nature. Mechanical property is attributed to underlying crystal packing. Hirshfeld analysis and energy framework calculations were done to corroborate structure-property correlation of two forms (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Anthracene schiffbase, Dimorphs, Elasticity, mechanical properties}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.132182}, author = {Lakshmipathi, Madhumathi and Tothadi, Srinu and Emmerling, Franziska and Bhattacharya, Biswajit and Ghosh, Soumyajit} } @article {47799, title = {Dimerization of SARS-CoV-2 nucleocapsid protein affects sensitivity of ELISA based diagnostics of COVID-19}, journal = {International Journal of Biological Macromolecules}, volume = {200}, year = {2022}, month = {MAR}, pages = {428-437}, type = {Article}, abstract = {

Nucleocapsid protein (N protein) is the primary antigen of the virus for development of sensitive diagnostic assays of COVID-19. In this paper, we demonstrate the significant impact of dimerization of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) N-protein on sensitivity of enzyme-linked immunosorbent assay (ELISA) based diagnostics. The expressed purified protein from E. coli is composed of dimeric and monomeric forms, which have been further characterized using biophysical and immunological techniques. Indirect ELISA indicated elevated susceptibility of the dimeric form of the nucleocapsid protein for identification of protein-specific monoclonal antibody as compared to the monomeric form. This finding also confirmed with the modelled structure of monomeric and dimeric nucleocapsid protein via HHPred software and its solvent accessible surface area, which indicates higher stability and antigenicity of the dimeric type as compared to the monomeric form. The sensitivity and specificity of the ELISA at 95\% CI are 99.0\% (94.5-99.9) and 95.0\% (83.0-99.4), respectively, for the highest purified dimeric form of the N protein. As a result, using the highest purified dimeric form will improve the sensitivity of the current nucleocapsid-dependent ELISA for COVID-19 diagnosis, and manufacturers should monitor and maintain the monomer-dimer composition for accurate and robust diagnostics.

}, doi = {10.1016/j.ijbiomac.2022.01.094}, author = {Khan, Wajihul and Khan, Nida and Mishra, Avinash and Gupta, Surbhi and Bansode, Vikrant and Mehta, Deepa and Bhambure, Rahul and Rathore, Anurag} } @article {48069, title = {Direct (hetero)arylation (DHAP) polymerization of conjugated polymers - new A-B-A monomer design for P(NDI2OD-T2) \& the challenges of adopting DHAP for continuous flow processes}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2022}, month = {SEP}, pages = {13025-13039}, type = {Article}, abstract = {

P(NDI2OD-T2), also known as Polyera ActivInk N2200, was synthesized by the atom-economic direct hetero arylation polymerization (DHAP) route using a newly designed A-B-A monomer. The new monomer design involved flanking naphthalene diimide with bithiophene units in the bay position, which was further polymerized with bay substituted 1,4-dibromo naphthalene diimide, to afford the same polymer structure as P(NDI2OD-T2). The new monomer design resulted in a very high molecular weight (M-n: 99.5 kDa, D-M: 2.8) defect-free polymer in a quantitative yield by the DHAP batch process using 1,2,4-trichlorobenzene (TCB) as the solvent. DFT studies revealed that the abstraction of the alpha-proton from the naphthalene diimide substituted 2,2 {\textquoteleft}-bithiophene was favorable by 2.6 kcal mol(-1) (Delta Delta G) as compared to that from 2,2 {\textquoteleft}-bithiophene. The reason for this improved C-H activation at the alpha position can be attributed to the presence of C-HMIDLINE HORIZONTAL ELLIPSIS pi stabilizing interactions in naphthalene diimide substituted 2,2 {\textquoteleft}-bithiophene, which strengthens upon the extended charge delocalization throughout the ring, thus stabilizing the conjugate base generated after the proton abstraction. Continuous flow polymerization was carried out by pumping the DHAP reaction mixture including the monomers, catalyst, and additive (pivalic acid) solubilized in degassed TCB through a pre-heated glass condenser packed with K2CO3 and Celite under aerobic conditions. Reproducible molecular weights of M-n: 29.5 kDa, D-M: 1.7 were obtained at much lower concentrations of reactant mixture compared to that for batch polymerization. This is the first report of the synthesis of P(NDI2OD-T2) by a Continuous Flow Process adopting the DHAP route to obtain a defect-free polymer with reasonable molecular weights. P(NDI2OD-T2) was also synthesized by Stille polymerization as a reference control sample to compare the thermal and charge carrier transport properties of the DHAP polymers. Organic field-effect (OFET) mobility measurements indicated mobility values in the order of 10(-3) cm(2) V-1 s(-1) for the DHAP batch polymer (using the novel monomer design). The P(NDI2OD-T2) synthesized by DHAP batch using the commonly used starting materials - bisbromo naphthalene diimide and bithiophene, exhibited OFET mobilities which were one order less, similar to 10(-4) cm(2) V-1 s(-1). This observation highlights the importance of structural design in the monomer to enhance reactivity and thereby the bulk properties using the DHAP route.

}, issn = {2050-7526}, doi = {10.1039/d2tc02514k}, author = {Kakde, Navnath R. and Bharathkumar, H. J. and Wavhal, Bhaiyyasaheb A. and Nikam, Arun and Patil, Suneha and Dash, Soumya Ranjan and Vanka, Kumar and Krishnamoorthy, K. and Kulkarni, Amol and Asha, S. K.} } @article {48041, title = {Does viscosity drive the dynamics in an alcohol-based deep eutectic solvent?}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {OCT }, pages = {8331-8337}, type = {Article}, abstract = {

Deep eutectic solvents, consisting of heterogeneous nano-domains of hydrogen-bonded networks, have evolved into a range of viscous fluids that find applications in several fields. As viscosity is known to influence the dynamics of other neoteric solvents like ionic liquids, understanding the effect of viscosity on deep eutectic solvents is crucial to realize their full potential. Herein, we combine polarization-selective pump-probe spectroscopy, two-dimensional infrared spectroscopy, and molecular dynamics simulations to elucidate the impact of viscosity on the dynamics of an alcohol-based deep eutectic solvent, ethaline. We compare the solvent fluctuation and solute reorientation time scales in ethaline with those in ethylene glycol, an ethaline constituent. Interestingly, we find that the solute{\textquoteright}s reorientation apparently scales the bulk viscosity of the solvent, but the same is not valid for the overall solvation dynamics. Using the variations in the estimated intercomponent hydrogen bond lifetimes, we show that a dissolved solute does not sense the bulk viscosity of the deep eutectic solvent; instead, it senses domain-specific local viscosity determined by the making and breaking of the hydrogen bond network. Our results indicate that understanding the domain-specific local environment experienced by the dissolved solute is of utmost importance in deep eutectic solvents.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c06521}, author = {Chatterjee, Srijan and Deshmukh, Samadhan H. and Bagchi, Sayan} } @article {47761, title = {Donor-acceptor based solvent-free organic liquid hybrids with exciplex emission and room temperature phosphorescence}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {FEB }, pages = {1998-2001}, type = {Article}, abstract = {Solvent-free organic liquids are well-known for their excellent luminescence features. Hence, the recent developments in this area have marked them as potential emitters with high quantum yield and enhanced processability. The support of an available liquid matrix enables doping to deliver hybrid liquids with intriguing luminescence features. In this direction, we report solvent-free liquid donor-acceptor pairs with exciplex emission and room temperature phosphorescence at very low acceptor loading. The underlying weak intermolecular interactions have been revealed by 2D NMR techniques and theoretical calculations. The formation of large-area thin films by exciplex and phosphorescent liquid hybrids will encourage the development of scalable lighting and display materials.}, issn = {1359-7345}, doi = {10.1039/d1cc07082g}, author = {Wakchaure, Vivek Chandrakant and Veer, Sairam D. and Nidhankar, Aakash D. and Goudappagouda and Nayak, Rashmi and Asokan, Kiran and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {48193, title = {Doped 2D VX2 (X = S, Se, Te) monolayers as electrocatalysts for ammonia production: a DFT based study}, journal = {Applied Surface Science}, volume = {602}, year = {2022}, month = {NOV}, pages = {154401}, type = {Article}, abstract = {

Electrocatalytic nitrogen fixation under ambient conditions on vanadium dichalcogenides (VX2) with non-metal dopants has been explored herein. Understanding the interface chemistry, inherent electronic and acute synergistic nature of non-metal dopants on two unique phases of VX2 has been meticulously explored through a scrutiny of several non-metal atoms as catalytic centers. The efficacity of N-2 chemisorption and N-N bond activation has been implemented as crucial parameters to realize boron and carbon doped VX2 monolayers to be electrocatalytically active for nitrogen reduction reaction (NRR). Detailed investigation on the NRR mechanism brings out the pivotal role of thermodynamic favourability for product formation obtained from Gibbs free energy differences. The charge transfer on N and pi-pi* orbital hybridization and electron {\textquoteleft}{\textquoteleft}donor-acceptor {\textquoteleft}{\textquoteleft} mechanism between the non-metal and N-2 has been found to modulate the electrocatalytic barrier for NRR on VX2 monolayers. This study proposes boron doped VS2 as an efficient chemically feasible, earth abundant sustainable electrocatalyst for NRR with an overpotential as low as 0.06 eV.

}, keywords = {1T and 2H phases, DFT, electrocatalysts, Nitrogen Reduction Reaction, Non metal dopants, Vanadium dichalcogenides}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.154401}, author = {Maibam, Ashakiran and BabaRao, Ravichandar and Krishnamurty, Sailaj A.} } @article {48417, title = {Dual nanomechanics in anisotropic porous covalent organic framework janus-type thin films}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {JAN}, pages = {400-409}, type = {Article}, abstract = {

Empowered by crystalline ordered structures and homogeneous fabrication techniques, covalent organic frameworks (COFs) have been realized with uniform morphologies and isotropic properties. However, such homogeneity often hinders various surface-dependent properties observed in asymmetric nanostructures. The challenge remains to induce heterogeneity in COFs by creating an asymmetric superstructure such as a Janus thin film. In this regard, we propose a versatile yet straightforward interfacial layer-grafting strategy to fabricate free-standing Janus-type COF-graphene thin films. Herein, two-dimensional graphene sheets were utilized as the suitable grafter due to the possibility of noncovalent interactions between the layers. The versatility of the approach was demonstrated by fabricating two distinct Janus-type films, with the COF surface interwoven with nanofibers and nanospheres. The Janus-type films showcase opposing surface morphologies originating from graphene sheets and COF nanofibers or nanospheres, preserving the porosity (552-600 m(2) g(-1)). The unique surface chemistries of the constituent layers further endow the films with orthogonal mechanical properties, as confirmed by the nanoindentation technique. Interestingly, the graphene sheets favor the Janus-type assembly of COF nanofibers over the nanospheres. This is reflected in the better nanomechanical properties of COFfiber-graphene films (E-gra(phene) = 300-1200 MPa; E-COF( )= 15-60 MPa) compared to the COFsphere-graphene films (E-gra(phe)ne = 11-14 MPa; E-CO(F )= 2-5 MPa). These results indicate a direct relationship between the mechanical properties and homo/heterogeneity of Janus-type COF films.

}, issn = {0002-7863}, doi = {10.1021/jacs.1c10263}, author = {Mohata, Shibani and Dey, Kaushik and Bhunia, Surojit and Thomas, Neethu and Gowd, E. Bhoje and Ajithkumar, Thalasseril G. and Reddy, C. Malla and Banerjee, Rahul} } @article {48040, title = {Dynamic kinetic resolution of gamma,gamma-disubstituted indole 2-carboxaldehydes via NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic epsilon-lactones}, volume = {13}, year = {2022}, month = {OCT}, pages = {11513-11518}, type = {Article}, abstract = {

The ubiquity of epsilon-lactones in various biologically active compounds inspired the development of efficient and enantioselective routes to these target compounds. Described herein is the enantioselective synthesis of indole-fused epsilon-lactones by the N-heterocyclic carbene (NHC)-Lewis acid cooperative catalyzed dynamic kinetic resolution (DKR) of in situ generated gamma,gamma-disubstituted indole 2-carboxaldehydes. The Bi(OTf)(3)-catalyzed Friedel-Crafts reaction of indole-2-carboxaldehyde with 2-hydroxy phenyl p-quinone methides generates gamma,gamma-disubstituted indole 2-carboxaldehydes, which in the presence of NHC and Bi(OTf)(3) afforded the desired tetracyclic epsilon-lactones in up to 93\% yield and \>99 : 1 er. Moreover, preliminary studies on the mechanism of this formal [4 + 3] annulation are also provided.

}, issn = {2041-6520}, doi = {10.1039/d2sc03745a}, author = {Balanna, Kuruva and Barik, Soumen and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48231, title = {Effect of oxalic acid and sulphuric acid hydrolysis on the preparation and properties of pineapple pomace derived cellulose nanofibers and nanopapers}, journal = {International Journal of Biological Macromolecules}, volume = {209}, year = {2022}, month = {JUN }, pages = {1745-1759}, type = {Article}, abstract = {

Nanocellulose is the {\textquoteleft}{\textquoteleft}green magnet{\textquoteright}{\textquoteright} which attracts a wide spectrum of industries towards it due to its availability, biodegradability, and possible smart applications. For the first time, pineapple pomace was being explored as an economic precursor for cellulose nanofibers. Nanofiber isolation was accomplished using a chemo-mechanical method and solution casting was adopted for the development of nanopapers. Moreover, the study examines the structural, optical, crystalline, dimensional, and thermal features of nanofibers isolated using different acid hydrolysis (oxalic acid and sulphuric acid) methods. Fourier-transform infra-red spectroscopy, 13C solid-state nuclear magnetic resonance spectroscopy, and X-ray diffraction analysis indicated the presence of type I cellulose. The transmittance, crystallinity index, and thermal stability of PPNFS (sulphuric acid treated fiber) were greater than PPNFO (oxalic acid treated fiber). The transmission electron microscopy and dynamic light scattering analysis confirmed the nanodimension of PPNFO and PPNFS. While comparing the optical and mechanical properties of nanopapers, PPNFS outperforms PPNFO. The tensile strength of the prepared nanopapers (64 MPa (PPNFO) and 68 MPa (PPNFS)) was found to be high compared to similar works reported in the literature. The prepared nanopaper is proposed to be used for food packaging applications.

}, keywords = {cellulose nanofibers, Cellulosic nanopapers, Pineapple pomace}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.04.138}, author = {Neenu, K. V. and Dominic, C. D. Midhun and Begum, P. M. Sabura and Parameswaranpillai, Jyotishkumar and Kanoth, Bipinbal Parambath and David, Deepthi Anna and Sajadi, S. Mohammad and Dhanyasree, P. and Ajithkumar, T. G. and Badawi, Michael} } @article {48101, title = {Efficient synthesis of 5-(hydroxymethyl)furfural esters from polymeric carbohydrates using 5-(chloromethyl)furfural as a reactive intermediate}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {10}, year = {2022}, month = {MAY}, pages = {5803-5809}, type = {Article}, abstract = {

This work reports an efficient, gram-scale synthesis of 5-(hydroxymethyl)furfural (HMF) esters using biomass-derived 5-(chloromethyl)furfural (CMF) as a reactive intermediate. The HMF-esters have potential applications as chemicalintermediates, fuel additives, and bioactive compounds. Initially, CMF was prepared in good yields directly from polymericcarbohydrates (starch, inulin, and cellulose) and cellulosic materials (cotton andfilter paper) using a biphasic batch reaction system,consisting of aqueous hydrochloric acid and 1,2-dichloroethane. The use of ZnCl2as an additive allowed the reaction to proceedunder milder conditions while significantly improving the isolated yield of CMF. The effects of reaction temperature, reaction time,extracting solvent, and ZnCl2loading on CMF yield were investigated. Microcrystalline cellulose was converted into CMF with a72\% isolated yield under optimized reaction conditions (80 degrees C, 2 h). After that, CMF was transformed into various novel esters ofHMF in excellent isolated yields (\>85\%) by reacting with a slight excess amount of the triethylammonium salt of various alkyl/arylcarboxylic acids under solvent-free conditions

}, keywords = {catalysis, cellulose, furanics, HMF-esters, renewable synthesis}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c08571}, author = {Bhat, Navya Subray and Hegde, Shobhita L. and Dutta, Saikat and Sudarsanam, Putla} } @article {48410, title = {Elliptically birefringent chemically tuned liquid crystalline nanocellulose composites for photonic applications}, journal = {Journal of Molecular Liquids}, volume = {366}, year = {2022}, month = {NOV }, pages = {120326}, type = {Article}, abstract = {

Cellulose nanocrystals (CNCs) based photonic materials are one of the promising materials in the recent trends. The liquid crystalline behavior of the CNCs can be tailored to different advanced applications. The proposed research investigates the potential of CNCs as an optically active material. CNCs were tuned to hydroxypropyl nano cellulose (HPNC) with the degree of substitution 1.39. The prepared liquid crystalline HPNC were dispersed in various concentrations of monomethyl ether of polyethylene glycol to get waterborne materials with specific optical anisotropy. The extraction, modification, and morphology of the CNCs were investigated using NMR (Nuclear Magnetic Resonance), TEM (Transmission Electron Microscopy), XRD (X-ray Powder Diffraction), and FESEM (Field Emission Scanning Electron Microscopy) analysis. The prepared HPNC was analyzed using a hot stage POM (Polarized Optical Microscope) for optical anisotropy. The thermal stability of prepared CNCs and HPNC was also investigated. Upon optimization using rheology and POM, it was found that at the ratio of 1:1, HPNC (5 wt\%) and mPEG (40 wt\%) had the most distinct optical properties. The potential of the prepared materials can be further explored in sensing, smart coating, and security materials. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {bagasse, Cellulose nanocrystals, Elliptical birefringence, liquid crystals, optical anisotropy}, issn = {0167-7322}, doi = {10.1016/j.molliq.2022.120326}, author = {Singh, Shiva and Bhardwaj, Shakshi and Verma, Chhavi and Chhajed, Monika and Balayan, Kajal and Ghosh, Kaushik and Maji, Pradip K.} } @article {47993, title = {Emerging landscape of molecular interaction networks: opportunities, challenges and prospects}, journal = {Journal of Biosciences}, volume = {47}, year = {2022}, month = {APR}, pages = {24}, type = {Review}, abstract = {

Network biology finds application in interpreting molecular interaction networks and providing insightful inferences using graph theoretical analysis of biological systems. The integration of computational bio-modelling approaches with different hybrid network-based techniques provides additional information about the behaviour of complex systems. With increasing advances in high-throughput technologies in biological research, attempts have been made to incorporate this information into network structures, which has led to a continuous update of network biology approaches over time. The newly minted centrality measures accommodate the details of omics data and regulatory network structure information. The unification of graph network properties with classical mathematical and computational modelling approaches and technologically advanced approaches like machine-learning- and artificial intelligence-based algorithms leverages the potential application of these techniques. These computational advances prove beneficial and serve various applications such as essential gene prediction, identification of drug-disease interaction and gene prioritization. Hence, in this review, we have provided a comprehensive overview of the emerging landscape of molecular interaction networks using graph theoretical approaches. With the aim to provide information on the wide range of applications of network biology approaches in understanding the interaction and regulation of genes, proteins, enzymes and metabolites at different molecular levels, we have reviewed the methods that utilize network topological properties, emerging hybrid network-based approaches and applications that integrate machine learning techniques to analyse molecular interaction networks. Further, we have discussed the applications of these approaches in biomedical research with a note on future prospects.

}, keywords = {Centrality, disease mechanisms, hybrid network-based models, machine learning, molecular interaction networks, network topology, systems biology}, issn = {0250-5991}, doi = {10.1007/s12038-022-00253-y}, author = {Panditrao, Gauri and Bhowmick, Rupa and Meena, Chandrakala and Sarkar, Ram Rup} } @article {48191, title = {Enantioselective Au(I)/Au(III) redox catalysis enabled by chiral (P,N)-ligands}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {APR}, pages = {7089-7095}, type = {Article}, abstract = {

Presented herein is the first report of enantioselective Au(I)/Au(III) redox catalysis, enabled by a newly designed hemilabile chiral (P,N)-ligand (ChetPhos). The potential of this concept has been demonstrated by the development of enantioselective 1,2-oxyarylation and 1,2-aminoarylation of alkenes which provided direct access to the medicinally relevant 3-oxy- and 3-aminochromans (up to 88\% yield and 99\% ee). DFT studies were carried out to unravel the enantiodetermining step, which revealed that the stronger trans influence of phosphorus allows selective positioning of the substrate in the C-2-symmetric chiral environment present around nitrogen, imparting a high level of enantioselectivity.

}, issn = {0002-7863}, doi = {10.1021/jacs.2c02799}, author = {Chintawar, Chetan C. and Bhoyare, Vivek W. and Mane, Manoj V. and Patil, Nitin T.} } @article {48358, title = {Enantioselective synthesis of dihydrothiopyranones via NHC- catalyzed [3+3] annulation of 2-bromoenals with beta-oxodithioesters}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {8848-8853}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-organocata-lyzed [3 + 3] annulation of 2-bromoenals with fi-oxodithioesters resulting in the enantioselective synthesis of dihydrothiopyranones is presented. The chiral a,fi-unsaturated acylazoliums generated from 2-bromoenals and carbenes underwent smooth interception with the sulfur nucleophiles to furnish the sulfur heterocycles in satisfactory yields/selectivity. The regioselective formation of dihydrothiopyranones over the competing dihydropyranones is noteworthy.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03642}, author = {Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48114, title = {Enceleamycins A-C, furo-naphthoquinones from amycolatopsis sp. MCC0218: isolation, structure elucidation, and antimicrobial activity}, journal = {Journal of Natural Products}, volume = {85}, year = {2022}, month = {MAY}, pages = {1267-1273}, type = {Article}, abstract = {

Three novel furo-naphthoquinones, enceleamycins A-C (1-3), and a new N-hydroxypyrazinone acid (4) were identified from the strain Amycolatopsis sp. MCC 0218, isolated from a soil sample collected from the Western Ghats of India. Their chemical structure and absolute and relative configurations were established by 1D and 2D NMR spectroscopy, single-crystal X-ray crystallography, and high-resolution mass spectrometry. Compounds 1 and 3 were active against methicillin-susceptible and -resistant Staphylococcus aureus with MIC values of 2-16 mu g/mL.

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.1c01160}, author = {Khan, Abujunaid and Said, Madhukar S. and Borade, Balasaheb R. and Gonnade, Rajesh and Barvkar, Vitthal and Kontham, Ravindar and Dastager, Syed G.} } @article {48225, title = {Enhanced hydrogen fuel production using synergistic combination of solar radiation and TiO2 photocatalyst coupled with Burkholderia cepacia lipase}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {APR }, pages = {14483-14492}, type = {Article}, abstract = {

Promising and sustainable alternatives for hydrogen production have been investigated. Among these, the use of enzymes may represent an efficient alternative. In this work, an increase in hydrogen production under simulated sunlight by combining TiO2 and TiO2/MgCl2 with Burkholderia cepacia lipase (BCL) was reported. The samples (TiO2, TiO2/MgCl2, and TiO2 /MgCl2/BCL) were characterized by X-ray diffraction (XRD), thermo-gravimetric (TGA), N-2 adsorption-desorption isotherms (BET), scanning electron microscopy (SEM), and UV-Visible absorption spectra. Hydrogen production tests were performed in aqueous methanol solutions under simulated sunlight. The results demonstrated that 130-times greater increase in hydrogen production rate was observed by the addition of BCL than individual TiO2. This better hydrogen production rate can be attributed to the increase in the amount of reduction equivalent of the system due to the oxidation of protein peptides caused by TiO2. In conclusion, the results indicate that hydrogen production efficiency can be significantly improved when integrating TiO2/MgCl2 with BCL. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {hydrogen production, Lipase, Nano-conjugated enzymes, Photocatalyst, Solar radiation, Titanium dioxide}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.02.220}, author = {de Souza Brandao, Luma Mirely and Barbosa, Milson dos Santos and de Jesus, Roberta Anjos and Bharad, Pradnya Arunrao and Lima, Alvaro Silva and Faria Soares, Cleide Mara and Navarro Yerga, Rufino Manuel and Bilal, Muhammad and Romanholo Ferreira, Luiz Fernando and Iqbal, Hafiz M. N. and Gopinath, Chinnakonda S. and Figueiredo, Renan Tavares} } @article {48177, title = {Exploring the core microbiota in scented rice (Oryza sativa L.) rhizosphere through metagenomics approach}, journal = {Microbiological Research}, volume = {263}, year = {2022}, month = {OCT}, pages = {127157}, type = {Article}, abstract = {

Rice is a major food crop cultivated around the globe. Specially scented rice varieties are of commercial importance but they are low-yielding. The rhizospheric microflora plays a significant role in improving yield and aroma. However, the core microbiome of the scented rice rhizosphere is comparatively less explored. Here, we analyzed the core microbiome associated with the rhizosphere of the scented (Ambemohar-157 and Dehradun basmati) in comparison with non-scented rice (Kolam and Arize 6444 Gold) cultivated at two different geoclimatic zones of India (Maharashtra and Uttarakhand) using the metagenomics approach. The alpha and beta diversity analysis showed that the microbial communities associated with scented and non-scented varieties significantly changes with respect to richness, diversity, and evenness. The taxonomic profiling revealed the variation in composition, diversity, and abundance of the microbiome in terms of phyla and genera associated with scented rice varieties over non-scented. The cluster analysis distinguishes the microbial communities based on their geographical positions. The core microbiome analysis revealed that scented rice rhizosphere shelters distinct and unique microbiota. 28.6 \% of genera were exclusively present only in the scented rice rhizosphere. The putative functional gene annotation revealed the high abundance of genes related to the biosynthesis of 2-acetyl-1-pyrroline (2AP) precursors in scented rice. The precursor feeding analysis revealed proline as a preferred substrate by 2AP synthesizing bacteria. The 2AP precursor proline and proline metabolism genes showed a positive correlation. The scented rice-specific rhizobacteria pointed out in this study can be used as bioinoculants for enhancing aroma, yield, and sustainable rice cultivation.

}, keywords = {Metagenome, Microbial community, Microbiome, Oryza sativa, Rhizosphere, rice}, issn = {0944-5013}, doi = {10.1016/j.micres.2022.127157}, author = {Dhondge, V. Harshal and Barvkar, Vitthal T. and Paul, Dhiraj and Dastager, Syed G. and Pable, Anupama A. and Nadaf, Altafhusain B.} } @article {47759, title = {Facile fabrication of nano silver phosphate on B-doped g-C3N4: an excellent p-n heterojunction photocatalyst towards water oxidation and Cr (VI) reduction}, journal = {Journal of Alloys and Compounds}, volume = {898}, year = {2022}, month = {MAR}, pages = {162853}, type = {Article}, abstract = {A photostable Ag3PO4/BCN type-II p-n heterojunction has been demonstrated by loading nano Ag3PO4 on B-doped g-C3N4 nanosheet (BCN). The photocatalysts were successfully characterized by various physicochemical techniques and their photocatalytic activities were tested towards the water oxidation reaction to produce oxygen and Cr (VI) reduction under visible light. The HRTEM confirms Ag3PO4 with a particle size of 15 nm has been deposited on BCN to construct a p-n heterojunction. The BCNS-50 absorbs more visible light in the solar spectrum as compared to other catalyst, demonstrating the ability to generate 587 mu mol h(-1)g(-1) O-2 and reduces 98\% of 20 ppm Cr (VI) solution in 1 h. The lower PL intensity as well as lower arc value in case of BCNS-50 suggests the maximum e-h separation and lower charge transfer resistance across the semiconductor/electrolyte interface. The BCN sheet provides a compact heterojunction where the oxidation peak of Ag3PO4 decreases gradually and disappear in case of BCNS-50 suggesting the enhance stability of Ag3PO4 in the heterojunction. BCNS-50 could able to produce -139 and 3087.5 mu A photocurrent both in cathodic and anodic direction which is approximately 7 and 2.4 folds higher as compared to nano Ag3PO4. The generation of photocurrent in both cathodic and anodic direction confirms the formation of p-n heterojunction which further supported by Mott-Schottky analysis. Furthermore the construction of the p-n heterojunction is verified via Mott-Schottky study. DFT calculation explains the contribution of various atomic orbital of Ag3PO4 and BCN towards the formation of hybrid orbital in the heterojunction and the path for charge delocalization between them. This work may provide a limelight and alternative pathway for enhanced photocatalytic performance on construction of the p-n heterojunction in a simple way. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Cr (VI) reduction, Density functional theory, Interfacial zone, p-n heterojunction, Photocatalyst, Water oxidation}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.162853}, author = {Sahoo, Mitarani and Babu, Pradeepta and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Parida, Kulamani} } @article {48147, title = {Facile synthesis of nanocomposites of CNF-Sn and C-Sn microspheres: Prospective field emitter}, journal = {Journal of Alloys and Compounds}, volume = {907}, year = {2022}, month = {JUN }, pages = {164318}, type = {Article}, abstract = {

We report synthesis of Carbon nanofibers (CNFs) and hybrid nanocomposites namely, CNF-Sn and C-Sn microspheres using simple electrospinning technique, followed by annealing in controlled atmosphere. The as-prepared materials were characterized using X-raydiffraction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), Ultra-violet photoelectron spectroscopy (UPS), and Raman spectroscopy to reveal their physico-chemical properties. As carbon family members are potential materials for field emission (FE) based applications, owing to their high aspect ratio FE characteristics of the synthesized materials were explored at base pressure of 1 x 10(-8) mbar. Interestingly, the hybrid nanocomposite CNF-Sn and C-Sn emitters showed improved FE behavior (with the turn-on field of 3.4 and 1.36 V/mu m, respectively) in contrast to the pristine CNFs emitter (turn-on field of 5.4 V/mu m). Furthermore, the maximum emission current density is substantially enhanced, 7.75 and 4.6 mA/cm(2) for CNF-Sn and C-Sn emitters, respectively. The improvement in the FE behavior of nanocomposite emitters is attributed to the combined effect of morphology and modulation of electronic properties at the interface of nanocomposites. The results confirm that FE characteristics of pristine nanostructures can be greatly improved upon formation of their nanocomposites and this approach can be extended to other nanostructures for improving their multi-functionalities. (c) 2022 Elsevier B.V. All rights reserved.

}, keywords = {carbon nanofiber, electrospinning, field emission, Nanocomposite, Tin}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2022.164318}, author = {Badadhe, Satish S. and Yadav, Poonam and Suryawanshi, Sachin and More, Mahendra A.} } @article {48391, title = {First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {OCT}, pages = {15409-15417}, type = {Article}, abstract = {

Conversion of carbon dioxide (CO2) with the help of an appropriate electrocatalyst with high stability, low onset potential, and exceptional selectivity is still one of the great tasks in the electrocatalytic reduction of CO2 to valuable chemicals. Herein, by means of systematic first-principles simulations, we investigate the CO2 reduction reaction (CO2RR) activity of zirconium-based single-, double-, and triple-atom (Zrn@C2N; n = 1-3) catalysts anchored on a graphitic carbon-nitride monolayer. In tune with the Sabatier principle, our results reveal that a moderate CO2 binding is vital for a low onset potential for the CO2RR. Consequently, based on rigorous free energy calculations, the Zr-based single-atom catalyst (SAC) is found to be most effective to convert CO2 to valuable products such as HCOOH and CH3OH. It is worth noting that CO2 reduction to HCOOH is spontaneous via the *HCOO intermediate on Zr1@C2N and involves a low onset potential of -0.23 V with respect to the reversible hydrogen electrode from the *COOH intermediate. Among all the catalysts evaluated computationally, the Zr SAC further reveals the lowest onset potential of -0.89 V for CH3OH formation. The results show that the Zr-based catalysts especially Zr1@C2N are found to effectively suppress the competitive hydrogen evolution reaction and promote the CO2RR. Moreover, all three catalysts exhibit high kinetic and thermal stability with negligible distortion due to which their structures can be retained very well up to 600 K. Thus, the current work may provide effective catalyst-design strategies for enhancing the electrocatalytic CO2RR performance of Zr-based materials.

}, keywords = {C1 and C2 products, CO2 reduction, first-principles simulations, hydrogen evolution reaction, onset potential, single-atom catalysts (SACs), Zrn@C2N catalysts}, doi = {10.1021/acsanm.2c03464}, author = {Hassan, Afshana and Anis, Insha and Shafi, Sadaf and Assad, Assif and Rasool, Anjumun and Khanam, Romana and Bhat, Gulzar Ahmad and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48382, title = {Flexible ultracapacitor device fabricated with an organic electrode material- naphthalene diimide nitrile/reduced graphene oxide}, journal = {Journal of Energy Storage}, volume = {56}, year = {2022}, month = {DEC}, pages = {106036}, type = {Article}, abstract = {

In this work, we have demonstrated a high-performance flexible supercapacitor electrode based on reduced graphene oxide (rGO) and naphthalene diimide nitrile (NDI-CN) composite. The rGO/NDI-CN composite was prepared by a simple approach. This composite was well characterized using various techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) etc. Besides, the pi -pi stacking of NDI-CN on rGO surface was confirmed using UV-vis and FTIR techniques. As fabricated rGO/NDI-CN composite was examined as an electrode material for the supercapacitor applications. The rGO/NDI-CN electrode has delivered an excellent specific capacitance (C-sp) of 336 F g(-1) at 0.5 A g(-1)current density. The fabricated supercapacitor (SC) displays robustness with 80 \% capacitance retention over 10,000 cycles at higher current density of 10 A g(-1). To further explore the real-world application of electrode materials, the corresponding flexible supercapacitor was designed and examined. The flexible device exhibited an energy density of 9.54 mu Wh cm(-2) at a power density of 0.3 mWcm(-2). These results confirmed that the rGO/NDI-CN electrode material has good potential as an energy storage device. Furthermore, the facile construction and fabrication of flexible device displayed operation of LED when fully charged. The assembled flexible supercapacitor device could be bent and twisted, signifying the potential to be used in practical applications in various high-performance electrochemical devices.

}, keywords = {flexible supercapacitor, Naphthalene diimide, Organic molecule electrodes, pi -pi interaction, rGO}, issn = {2352-152X}, doi = {10.1016/j.est.2022.106036}, author = {Deshmukh, Ashvini B. and Biradar, Madan R. and Pawar, Meenakshi D. and Bhosale, Sidhanath V. and Shelke, Manjusha V.} } @article {47801, title = {Flow visualization by Matlab{\textregistered} based image analysis of high-speed polymer melt extrusion film casting process for determining necking defect and quantifying surface velocity profiles}, journal = {Advanced Industrial and Engineering Polymer Research}, volume = {5}, year = {2022}, month = {JAN}, pages = {1-11}, type = {Article}, abstract = {The primary objective of this research paper is to detect and quantify the necking defect and surface velocity profiles in high-speed polymer melt extrusion film casting (EFC) process using Matlab{\textregistered} based image processing techniques. Extrusion film casting is an industrially important manufacturing process and is used on an industrial scale to produce thousands of kilograms of polymer films/sheets and coated products. In this research, the necking defect in an EFC process has been studied experimentally and the effects of macromolecular architecture such as long chain branching (LCB) on the extent of necking have been determined using image processing methodology. The methodology is based on the analysis of a sequence of image frames taken with the help of a commercial CCD camera over a specific target area of the EFC process. The image sequence is then analyzed using Matlab{\textregistered} based image processing toolbox wherein a customized algorithm is written and executed to determine the edges of the extruded molten polymeric film to quantify the necking defect. Alongwith the necking defect, particle tracking velocimetry (PTV) technique is also used in conjunction with the Matlab{\textregistered} software to determine the centerline and transverse velocity profiles in the extruded molten film. It is concluded from this study that image processing techniques provide valuable insights into quantifying both the necking defect and the associated velocity profiles in the molten extruded film.}, keywords = {Edge detection, Extrusion, Film, image analysis, Necking, Velocity measurement}, issn = {2542-5048}, doi = {10.1016/j.aiepr.2021.02.003}, author = {Aarati Vagga and Swapnil Aherrao and Harshawardhan Pol and Vivek Borkar} } @article {48185, title = {Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAY }, pages = {5582-5585}, type = {Article}, abstract = {

Crystalline salts of the low solubility and low permeability drug naftopidil were investigated with mono-, di-, tri-, and tetrafluorobenzoic acids as coformers to show that 245TFBA (2,4,5-trifluorobenzoic acid) is the optimal salt with faster dissolution and high permeability, thereby opening the study of fluorinated coformers in pharmaceutical cocrystals and salts.

}, issn = {1359-7345}, doi = {10.1039/d1cc07187d}, author = {Mannava, M. K. Chaitanya and Bommaka, Manish K. and Dandela, Rambabu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {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 {48076, title = {Green synthesis of cyclohexanone to adipic acid over Fe-W oxides incorporated mesoporous carbon support}, journal = {Catalysis Communications}, volume = {168}, year = {2022}, month = {AUG}, pages = {106466}, type = {Article}, abstract = {

We have prepared iron and tungsten oxides incorporated mesoporous carbon (MC) catalysts using a simple hydrothermal methodology with different carbon sources, and the catalytic performance was investigated for cyclohexanone oxidation. An adequate amount of metal oxide loading has displayed a key role in the selective catalyst for adipic acid (AA) synthesis. The MC catalyst has shown its prime activity under the influence of redox properties of W5+/W6+ and Fe2+/Fe3+ as promoters. The 10\%Fe 90\%W-MC fructose as a carbon source catalyst has provided its best selectivity of 87\% for AA at 120 ?C.

}, keywords = {Adipic Acid, Liquid phase oxidation, mesoporous carbon, Redox center}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106466}, author = {Mekala, Siva Prasad and Prabu, Marimuthu and Gawali, Sheetal Datta and Gopakumar, Karthik and Gogoi, Pranjal and Bhatkar, Akash Ravindra and Mohapatra, Gourab and Unnikrishanan, Eeswar and Raja, Thirumalaiswamy} } @article {48089, title = {Heterostructure from heteromixture: unusual OER activity of FeP and CoP nanostructures on physical mixing}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {NOV}, pages = {22354-22362}, type = {Article}, abstract = {

Heterointerfaces generated by inter-domain interactions on a nanoscale play a critical role in altering the activity of an electrocatalyst towards an electrochemical process. Heterointerfaces affect the surface characteristics, electronic structure, and physicochemical properties of a nanomaterial. Herein, we report an FeP-CoP heterostructure prepared by simple physical mixing of FeP and CoP nanostructures showing a remarkable performance towards water oxidation in comparison to their individual monometallic phosphides. FeP mixed with 20 wt\% CoP shows a low overpotential (eta(10)) of 220 mV as compared to FeP (eta(10), 325 mV). Furthermore, a high current density of 1.37 A cm(-2) and mass activity of 18 987 A g(M)(-1) were also achieved at 500 mV overpotential in 1.0 M KOH. The physical mixture shows immense stability for 200 h to achieve a high current density of 200 mA cm(-2). Meanwhile the potentiostatic performance of FeP at 200 mA cm(-2) decreases to an extent of 50\% in 40 h. A full cell arrangement employing this catalyst as the anode material requires 1.56 V to attain a current density of 10 mA cm(-2). Various characterization techniques, control experiments and theoretical studies indicate that the formation of heterointerfaces between the nano-domains of FeP and CoP results in charge transfer between Fe and Co metal sites. In addition, an oxygenated surface at the metal phosphide interface favours the sorption kinetics of intermediates involved in the reaction leading to low energy barriers in the potential determining and other steps, thus showing improved performance towards water oxidation.

}, issn = {2050-7488}, doi = {10.1039/d2ta04296g}, author = {Bhutani, Divya and Maity, Sisir and Chaturvedi, Shashank and Chalapathi, Divya and Waghmare, V. Umesh and Narayana, Chandrabhas and Prabhakaran, Vinod C. and Muthusamy, Eswaramoorthy} } @article {48354, title = {Hierarchical TS-1 for epoxidation of non-edible Karanja (Millettia pinnata) oil methyl ester to methyl epoxioleate (biodiesel additive) in presence of H2O2 as oxidizing agent}, journal = {Environmental Progress \& Sustainable Energy}, volume = {41}, year = {2022}, month = {MAY}, pages = {e13766}, type = {Article}, abstract = {

Application of non-edible Karanja (Millettia pinnata) oil which is abundantly available in India is not explored so far. The present study is an attempt to convert fatty acid methyl ester (FAME) obtained from Karanja oil to methyl epoxioleate over hierarchical titanosilicate (TS-1) catalyst. Methyl epoxioleate, a biodiesel additive can blend up to 20\% with biodiesels to improve oxidative stability and cold flow properties of biodiesel. A series of hierarchical TS-1 were prepared by desilication of parent TS-1 with 0.1 N NaOH at 80 degrees C for 1, 3, 5, and 7 h, respectively. Samples were characterized by powder XRD, low temperature nitrogen adsorption/desorption, and TEM. Eighty percent FAME conversion with 70\% yield of methyl epoxioleate was obtained over 5H-TS-1 catalyst. The enhanced catalytic activity of a 5H-TS-1 compared to parent TS-1 mainly attributed to the high mesoporosity coupled with well-preserved crystallinity. 5H-TS-1 catalyst was found to be completely reusable after calcination at 500 degrees C for 12 h. Hierarchical 5H-TS-1 catalyst for effective conversion of non-edible Karanja oil methyl ester to methyl epoxioleate probably not reported so far.

}, keywords = {H2O2, hierarchical TS-1, Karanja oil methyl ester, methyl epoxioleate, TS-1}, issn = {1944-7442}, doi = {10.1002/ep.13766}, author = {Anil, Reshma and Niphadkar, Prashant and Bokade, Vijay} } @article {47763, title = {High throughput sequencing based direct detection of SARS-CoV-2 fragments in wastewater of Pune, West India}, journal = {Science of the Total Environment}, volume = {807}, year = {2022}, month = {FEB }, pages = {151038}, type = {Article}, abstract = {Given a large number of SARS-CoV-2 infected individuals, clinical detection has proved challenging. The wastewater-based epidemiological paradigm would cover the clinically escaped asymptomatic individuals owing to the faecal shedding of the virus. We hypothesised using wastewater as a valuable resource for analysing SARS-CoV-2 mutations circulating in the wastewater of Pune region (Maharashtra; India), one of the most affected during the covid-19 pandemic. We conducted study in open wastewater drains from December 2020- March 2021 to assess the presence of SARS-CoV-2 nucleic acid and further detect mutations using ARTIC protocol of MinION sequencing. The analysis revealed 108 mutations across six samples categorised into 39 types of mutations. We report the occurrence of mutations associated with Delta variant lineage in March-2021 samples, simultaneously also reported as a Variant of Concern (VoC) responsible for the rapid increase in infections. The study also revealed four mutations; S:N801, S:C480R, NSP14:C279F and NSP3:L550del not currently reported from wastewater or clinical data in India but reported worldwide. Further, a novel mutation NSP13:G206F mapping to NSP13 region was observed from wastewater. Notably, S:P1140del mutation was detected in December 2020 samples while it was reported in February 2021 from clinical data, indicating the instrumentality of wastewater data in early detection. This is the first study in India to demonstrate utility of sequencing in wastewater based epidemiology to identify mutations associated with SARS-CoV-2 virus fragments from wastewater as an early warning indicator system. (c) 2021 Elsevier B.V. All rights reserved.}, keywords = {ARTIC protocol, Epidemiology, Metagenomics, Nanopore sequencing, SARS-CoV-2, wastewater}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2021.151038}, author = {Dharmadhikari, Tanmay and Rajput, Vinay and Yadav, Rakeshkumar and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Kamble, Sanjay P. and Dastager, Syed G. and Dharne, Mahesh S.} } @article {48198, title = {High-alkaline water-splitting activity of mesoporous 3D heterostructures: an amorphous-shell@crystalline-core nano-assembly of Co-Ni-phosphate ultrathin-nanosheets and V- doped cobalt-nitride nanowires}, journal = {Advanced Science}, volume = {9}, year = {2022}, month = {AUG}, pages = {2201311}, type = {Article}, abstract = {

Introducing amorphous and ultrathin nanosheets of transition bimetal phosphate arrays that are highly active in the oxygen evolution reaction (OER) as shells over an electronically modulated crystalline core with low hydrogen absorption energy for an excellent hydrogen evolution reaction (HER) can boost the sluggish kinetics of the OER and HER in alkaline electrolytes. Therefore, in this study, ultrathin and amorphous cobalt-nickel-phosphate (CoNiPOx) nanosheet arrays are deposited over vanadium (V)-doped cobalt-nitride (V-3\%-Co4N) crystalline core nanowires to obtain amorphous-shell@crystalline-core mesoporous 3D-heterostructures (CoNiPOx@V-Co4N/NF) as bifunctional electrocatalysts. The optimized electrocatalyst shows extremely low HER and OER overpotentials of 53 and 270 mV at 10 mA cm(-2), respectively. The CoNiPOx@V-3\%-Co4N/NF (+/-) electrolyzer utilizing the electrocatalyst as both anode and cathode demonstrates remarkable overall water-splitting activity, requiring a cell potential of only 1.52 V at 10 mA cm(-2), 30 mV lower than that of the RuO2/NF (+)/20\%-Pt/C/NF (-) electrolyzer. Such impressive bifunctional activities can be attributed to abundant active sites, adjusted electronic structure, lower charge-transfer resistance, enhanced electrochemically active surface area (ECSA), and surface- and volume-confined electrocatalysis resulting from the synergistic effects of the crystalline V-3\%-Co4N core and amorphous CoNiPOx shells boosting water splitting in alkaline media.

}, keywords = {core-shell, hydrogen productions, metal nitrides, metal phosphates, synergistic effect, water-splitting}, doi = {10.1002/advs.202201311}, author = {Singh, Thangjam Ibomcha and Maibam, Ashakiran and Cha, Dun Chan and Yoo, Sunghoon and BabaRao, Ravichandar and Lee, Sang Uck and Lee, Seunghyun} } @article {48120, title = {Highly efficient and reusable polymer supported palladium catalyst for copper free sonogashira reaction in water}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {APR}, pages = {e202104273}, type = {Article}, abstract = {

Development of a novel, greener and efficient heterogeneous catalytic system for copper free Sonogashira reaction in water is described. This novel catalyst can be easily prepared by a simple method through synthetic modification of nitrile group in Polyacrylonitrile (PAN) using monoethanolamine (MEA) followed by its complexation with palladium chloride (PdCl2). The resulting polymer Pd complex (mPAN-Pd) was characterized by means of Fourier Transform Infrared Spectroscopy (FTIR), Energy-Dispersive X-ray Spectroscopy (EDAX), Inductively Coupled Mass Spectrometry (ICP-MS) and X-ray Photo Electron Spectroscopy (XPS) analyses. mPAN-Pd was then explored as highly efficient heterogeneous catalyst for Sonogashira coupling reaction under copper and ligand free conditions in water affording the corresponding coupling products up to 97 \% isolated yield. Moreover, the catalyst was recovered by simple filtration after the reaction and reused for next 5 cycles with excellent stability and activity. This is the first report on the use of ethanolamine modified PAN Pd (II) complex as an efficient heterogeneous catalyst for a coupling reaction.

}, keywords = {catalysis, green chemistry, Palladium, Polymer Support, Sonogashira coupling}, issn = {2365-6549}, doi = {10.1002/slct.202104273}, author = {Sruthi, Pambingal Rajan and Nimmi, Puthan Purayil and Babu, Sukumaran Santhosh and Anas, Saithalavi} } @article {48130, title = {Hybrid material for ferric ion detection \& remediation: exceptional selectivity \& adsorption capacity with biological applications}, journal = {Microporous and Mesoporous Materials}, volume = {338}, year = {2022}, month = {JUN}, pages = {111945}, type = {Article}, abstract = {

In this work, naphthalimide derived functionalized silica material SiO2@NAPIA (2,2{\textquoteright}((((propylazanediyl)bis (methylene))bis(2,1-phenylene))bis(oxy))bis(N-(1,3-dioxo-1H-benzo[de]i soquinoline-2(3H)-yl)acetamide)) was constructed as a dual signaling and remediation material for ferric ions from a pool of 35 common ions (cations and anions) in the aqueous system. The material Cubic SiO2 shows a high surface area (1104 m2/g, pore volume (1.510 cm3/g), and pore diameter (6.3 nm) in the mesoporous range, which reduces further on functionalization to get the final material SiO2@NAPIA. The ferric ion selectivity through fluorescence quenching displays a SternVolmer quenching constant (Ksv) of 7.8 x 108 M-1 with a LOD (Limit of detection) value of 0.11 mu M for ferricion, which is 48 times lower than the USEPA (United States Environmental Protection Agency) maximum contaminant level (5.35 mu M) in drinking water. This material also shows a very high adsorption capacity (664 mg/g) for ferric ions fitting the Langmuir model isotherm with R2 = 0.99, which can be easily stripped out, and the material can be recycled. This material was also used as a sensory probe material for biosensing of ferric ions through fluorescence imaging in living organisms like Artemia salina and quantification in the real environmental sample. Furthermore, the antibacterial activity inspired by the ferric ion chelating affinity shows good potency against several Gram-negative and Gram-positive bacterial strains. The Minimum Inhibitory Concentration (MIC) \& Minimal Bactericidal Concentration (MBC) of the material against these pathogens were found to be 100 \& 200 mu g/mL respectively. This material signifies superior activity with respect to the ferric-ion selective materials known in the literature.

}, keywords = {Adsorption, Antibacterial, Biosensing, Functional material, Mesoporous silica, sensing}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2022.111945}, author = {Yadav, Sanjay and Rajpurohit, Dushyantsingh and Dash, Soumya Ranjan and Bhojani, Gopal and Chatterjee, Shruti and Paital, Alok Ranjan} } @article {47901, title = {Hypersilyl substituent in heavier low-valent group 14 chemistry}, journal = {European Journal of Inorganic Chemistry}, volume = {2022}, year = {2022}, month = {APR }, pages = {e202200071}, type = {Review}, abstract = {

The isolation of unusual compounds with low-valent main-group elements would not have been possible without the development of a series of sterically demanding ligands with bulky substituents. While early literature recognizes the advent of the sterically demanding tris(trimethylsilyl)silyl (SiMe3)(3)Si- group, also known as hypersilyl group, to stabilize species with new coordination modes for the main group elements, it has largely been more recent studies that have utilized this group for isolating stable compounds with low-valent main-group elements. Such compounds are not only interesting from the structure-bonding point of view but showcase potential for small molecule activation under ambient conditions. This review will cover the recent developments in stabilizing unusual compounds with group 14 elements using the exceptionally strong sigma-donor properties and pronounced steric effects of the hypersilyl moiety, emphasizing their synthesis, structure, and reactivity.

}, keywords = {Germylenes, Hydroboration, Hypersilyl, silylenes, Stannylenes}, issn = {1434-1948}, doi = {10.1002/ejic.202200071}, author = {Gour, Kritika and Bisai, Milan Kumar and Sen, Sakya S.} } @article {48397, title = {Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAY}, pages = {101806}, type = {Article}, abstract = {

Grass pea (Lathyrus sativus L.) is a grain legume commonly grown in Asia and Africa for food and forage. It is a highly nutritious and robust crop, capable of surviving both droughts and floods. However, it produces a neurotoxic compound, beta-N- oxalyl-L-alpha,beta-diaminopropionic acid (beta-ODAP), which can cause a severe neurological disorder when consumed as a primary diet component. While the catalytic activity associated with beta-ODAP formation was demonstrated more than 50 years ago, the enzyme responsible for this activity has not been identified. Here, we report on the identity, activity, 3D structure, and phylogenesis of this enzyme-beta-ODAP synthase (BOS). We show that BOS belongs to the benzylalcohol O-acetyltransfer-ase, anthocyanin O-hydroxycinnamoyltransferase, anthranilate N-hydroxycinnamoyl/benzoyltransferase, deacetylvindoline 4-O-acetyltransferase superfamily of acyltransferases and is structurally similar to hydroxycinnamoyl transferase. Using molecular docking, we propose a mechanism for its catalytic activity, and using heterologous expression in tobacco leaves (Nicotiana benthamiana), we demonstrate that expression of BOS in the presence of its substrates is sufficient for beta-ODAP production in vivo. The identification of BOS may pave the way toward engineering beta-ODAP-free grass pea cultivars, which are safe for human and animal consumption.

}, doi = {10.1016/j.jbc.2022.101806}, author = {Goldsmith, Moshe and Barad, Shiri and Knafo, Maor and Savidor, Alon and Ben-Dor, Shifra and Brandis, Alexander and Mehlman, Tevie and Peleg, Yoav and Albeck, Shira and Dym, Orly and Ben-Zeev, Efrat and Barbole, Ranjit S. and Aharoni, Asaph and Reich, Ziv} } @article {48155, title = {Identifying structural signature of dynamical heterogeneity via the local softness parameter}, journal = {Physical Review E}, volume = {105}, year = {2022}, month = {APR}, pages = {044604}, type = {Article}, abstract = {

In this work we study the relationship between the softness of a mean-field caging potential and dynamics at the local level. We first describe the local softness, which shows a distribution, thus identifying structural heterogeneity. We show that the lifetime of the softness parameter is connected to the lifetime of the well-known cage structure in supercooled liquids. Finally, our theory predicts that the local softness and the local dynamics is causal below the onset temperature where there is a decoupling between the short and long time dynamics, thus allowing a static description of the cage. With the decrease in temperature, the correlation between structure and dynamics increases. The study shows that at lower temperatures, the structural heterogeneity increases, and since the structure becomes a better predictor of the dynamics, it leads to an increase in the dynamical heterogeneity. We also find that the softness of a hard, immobile region evolves with time and becomes soft and eventually mobile due to the rearrangements in the neighborhood, confirming the well-known facilitation effect.

}, issn = {2470-0045}, doi = {10.1103/PhysRevE.105.044604}, author = {Sharma, Mohit and Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {48029, title = {Immobilization of HPW on UiO-66-NH2 MOF as efficient catalyst for synthesis of furfuryl ether and alkyl levulinate as biofuel}, journal = {Molecular Catalysis}, volume = {531}, year = {2022}, month = {OCT}, pages = {112689}, type = {Article}, abstract = {

Phosphotungustic Acid (HPW) is an inorganic super acid, that is highly soluble in polar solvents limiting its applicability as acid catalysis. To overcome these limitations immobilization of HPW was carried out at room temperature by protonation of-NH2 group of UiO-66-NH2 MOF to UiO-66-NH2-HPW. ATR-FTIR spectroscopy and XPS results confirmed the protonation and chemical interaction between HPW and UiO-66-NH2. STEM-EDS mapping showed homogeneous distribution of HPW on UiO-66-NH2. BET and NH3-TPD confirmed the reduction in specific surface area, total pore volume, and increase in total acidity for UiO-66-NH2-HPW. Further, powder XRD, SEM, and HR-TEM prevailed that there is no change in phase and morphology after post-synthetic modification of UiO-66-NH2. The prepared catalyst is found to be effective for etherification and alcoholysis of furfuryl alcohol (FALc) to Furfuryl ether (FE) and Alkyl levulinate (AL). UiO-66-NH2-HPW has shown 97 mol \% FALc conversions in ethanolic media and 31 mol\% Ethyl furfuryl ether (EFE) yield and 29 mol\% Ethyl lev-ulinate (EL) yield. UiO-66-NH2-HPW is also found to be efficient for the multistep conversion of Furfural (FFR) to FALc, FE, and AL.

}, keywords = {Alcoholysis, etherification, Immobilization, Phosphotungstic acid, UiO-66-NH2-HPW}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112689}, author = {Mulik, Nagesh and Bokade, Vijay} } @article {48406, title = {Improved mucoadhesion, permeation and in vitro anticancer potential of synthesized thiolated acacia and karaya gum combination: a systematic study}, journal = {Molecules}, volume = {27}, year = {2022}, month = {OCT}, pages = {6829}, type = {Article}, abstract = {

Thiolation of polymers is one of the most appropriate approaches to impart higher mechanical strength and mucoadhesion. Thiol modification of gum karaya and gum acacia was carried out by esterification with 80\% thioglycolic acid. FTIR, DSC and XRD confirmed the completion of thiolation reaction. Anticancer potential of developed thiomer was studied on cervical cancer cell lines (HeLa) and more than 60\% of human cervical cell lines (HeLa) were inhibited at concentration of 5 mu g/100 mu L. Immobilized thiol groups were found to be 0.8511 mmol/g as determined by Ellman{\textquoteright}s method. Cytotoxicity studies on L929 fibroblast cell lines indicated thiomers were biocompatible. Bilayered tablets were prepared using Ivabradine hydrochloride as the model drug and synthesized thiolated gums as mucoadhesive polymer. Tablets prepared using thiolated polymers in combination showed more swelling, mucoadhesion and residence time as compared to unmodified gums. Thiol modification controlled the release of the drug for 24 h and enhanced permeation of the drug up to 3 fold through porcine buccal mucosa as compared to tablets with unmodified gums. Thiolated polymer showed increased mucoadhesion and permeation, anticancer potential, controlled release and thus can be utilized as a novel excipient in formulation development.

}, keywords = {buccal tablets, enhanced permeation, ivabradine HCl, mucoadhesion, thiolated gums}, doi = {10.3390/molecules27206829}, author = {Munot, Neha and Kandekar, Ujjwala and Rikame, Chaitali and Patil, Abhinandan and Sengupta, Poulomi and Urooj, Shabana and Bilal, Anusha} } @article {48210, title = {Improvement in oxygen evolution performance of NiFe layered double hydroxide grown in the presence of 1T-Rich MoS2}, journal = {ACS Applied Materials \& Interfaces}, volume = {14}, year = {2022}, month = {JUL}, pages = {31951-31961}, type = {Article}, abstract = {

NiFe layered double hydroxide (NiFe LDH) grown in the presence of MoS2 (rich in 1T phase) shows exceptional performance metrics for alkaline oxygen evolution reaction (OER) in this class of composites. The as-prepared NiFe LDH/MoS2 composite (abbreviated as MNF) exhibits a low overpotential (eta(10)) of 190 mV; a low Tafel slope of 31 mV dec(-1); and more importantly, a high stability in its performance manifested by the delivery of current output for 45 h. It is important to note that this could be achieved with an exceedingly low loading of 0.14 mg cm(-2). The mass activity of this composite (97 A g(-1)) is about 14 times greater than that of the conventional RuO2 (7 A g(-1) ) at eta = 200 mV. When normalized with respect to the total metal content, a mass activity of 1000 A g(-1) (eta = 300 mV) was achieved. Impedance analysis further reveals that the significant reduction in charge-transfer resistance and hence high current density (5 times greater as compared to NiFe LDH at eta = 300 mV) observed for MNF is associated with interfacial adsorption kinetics of intermediates (R-1). Significant enhancement in the intrinsic activity of MNF over LDH has been observed through normalization of current with the electrochemically active surface area. Computational studies suggest that the Ni centers in the composite act as the active sites for OER, which is well-corroborated with the observed postreaction appearance of Ni3+ species.

}, keywords = {Impedance, LDH-MoS2 hybrid electrocatalyst, mass activity, OER, overpotential}, issn = {1944-8244}, doi = {10.1021/acsami.2c06210}, author = {Chakraborty, Soumita and Marappa, Shivanna and Agarwal, Sakshi and Bagchi, Debabrata and Rao, Ankit and Vinod, Chathakudath P. and Peter, Sebastian C. and Singh, Abhishek and Eswaramoorthy, Muthusamy} } @article {48028, title = {In situ direct transesterification process optimization for biodiesel production from aspergillus terreus wet biomass}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {52-53}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Bed, Rashmi Karamchand and Ravi-Kumar, Ameeta and Kumar, V. Ravi} } @article {48187, title = {Insights into active tungsten species on Pt/W/SBA-15 catalysts for selective hydrodeoxygenation of glycerol to 1,3-propanediol}, journal = {Molecular Catalysis}, volume = {531}, year = {2022}, month = {OCT}, pages = {112704}, type = {Article}, abstract = {

Diols are important class of industrial chemicals. Their synthesis from bio-resources (instead from fossil feed-stocks) is sustainable. In this study, we probed active tungsten species on Pt/W/SBA-15 catalysts for selective synthesis of 1,3-propanediol (1,3-PDO) from aqueous glycerol through a liquid-phase hydrodeoxygenation re-action. A synergistic enhancement in glycerol conversion and 1,3-PDO selectivity was observed when both Pt and W were present on the catalyst. A volcano-shape variation followed with a gradual increase in glycerol conversion and 1,3-PDO yield with W-loading (0.25-15 wt\%) was observed. Pt dispersion and acidity of the catalyst dis-played similar variations with the W-loading confirming their critical role in the reaction. Structure-function relationships inferred that oligomeric WOx with moderate Bro center dot nsted acidity (predominant at 1 wt\% W-loading) in contact with dispersed Pt are the active species for 1,3-PDO formation and crystalline WO3 with strong Bro center dot nsted acidity (prevalent above 4 wt\% W-loading) in association with Pt nanoparticles lead to 1-propanol formation.

}, keywords = {3-Propanediol, Active sites, Glycerol, Hydrodeoxygenation, Hydrogenolysis, Supported Pt-WO x}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112704}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Sethia, Govind and Akula, Venugopal and Marimuthu, Banu and Darbha, Srinivas} } @article {48161, title = {Insights on biorational potential of Ocimum gratissimum essential oil and its binary combination with monoterpene phenol for control of rice weevil (Sitophilus oryzae) and aflatoxigenic fungi.}, journal = {Food Bioscience}, volume = {50}, year = {2022}, month = {DEC}, pages = {102019}, type = {Article}, abstract = {

Food grain storage is a difficult task due to insect infestation and subsequent mycotoxin contaminations which adversely affects the nutritional quality of grains and leading to economic loss. Current research focuses on contact and fumigant toxicity effects of essential oils (EO) and aroma compounds against Sitophilus oryzae and growth inhibition of aflatoxigenic fungi. The EO of Ocimum gratissimum comprised of thymol (46.8\%), gamma-terpi-nene (14.04\%) along with o-cymene (11.76\%). Also, Cymbopogon flexuosus rich in citral (76.3\%) and geraniol (84.6\%) and Cymbopogon nardus having geraniol (49.24\%) and geranyl acetate (20.9\%) were all evaluated using a dose of 25 mu L (Conc-833.3 mu L/L air) against S. oryzae. All the compounds showed significant mortality (\>95\%) at 24 h of exposure. The insecticidal property of O. gratissimum oil chemotype showed a strong contact and fumigant toxicity against S. oryzae at a highest dose of 25 mu L (Conc-833.3 mu L/L air) within 24 h. It has been further evaluated on three aflatoxigenic fungal strains which showed reduction in growth and aflatoxin content (Aflatoxin B and G), which was markedly reduced upon the treatment. The binary mixture interaction of O. gratissimum oil with monoterpene phenol (carvacrol) was assessed and the specific binary mixture of 80:20 ratio (having additive property) acts as a contact insecticide with 100\% mortality. Hence, essential oil of less explored Ocimum species (O. gratissimum) and its binary mixture could be deployed as potential biorational for control of rice weevil (Sitophilus oryzae) and aflatoxigenic Aspergillus spp.

}, keywords = {Aflatoxigenic fungi, Binary combination, Essential oil, Ocimum gratissimum, Sitophilus oryzae}, issn = {2212-4292}, doi = {10.1016/j.fbio.2022.102019}, author = {Remesh, V. Archana and Raveendran, Ashika and Bincy, K. and Wagh, Vasudev S. and Dastager, Syed G. and Babu, C. S. Vivek} } @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 {48128, title = {Interplay of anion-pi(+) and pi(+)-pi(+) interactions in novel pyrido[2,1-a]isoquinolinium-based aiegens - substituent- and counterion-dependent fluorescence modulation and applications in live cell mitochondrial imaging}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {JUL }, pages = {e202200632}, type = {Article}, abstract = {

Recently, the concept of anion-pi(+) interactions has witnessed unique applications in the field of AIEgen development. In this contribution, we disclose a consolidated study of a library of N-doped ionic AIEgens accessed through silver-mediated cyclization of pyridino-alkynes. A thorough photophysical, computational and crystallographic study has been conducted to rationalize the observed substituent- and counterion-dependent fluorescence properties of these luminogens. We further elucidate the prominent role of anion-pi(+) interactions, pi(+)-pi(+) interactions and other non-covalent interactions, in inhibiting the undesired ACQ effect. Finally, we have also demonstrated the application of selected AIEgens for imaging of mitochondria in live cells.

}, keywords = {1-a]isoquinolinium, AIEgens, anion-pi(+), crystal structure, mitochondrial imaging, pyrido[2}, issn = {0947-6539}, doi = {10.1002/chem.202200632}, author = {Mule, Ravindra D. and Roy, Rupam and Mandal, Koushik and Chopra, Deepak and Dutta, Tanoy and Sancheti, Shashank P. and Shinde, Popat S. and Banerjee, Somsuvra and Lal Koner, Apurba and Bhowal, Rohit and Senthilkumar, Beeran and Patil, Nitin T.} } @article {47808, title = {Inter-relationship of Histone Deacetylase-6 with Tau-cytoskeletal organization and remodeling}, journal = {European Journal of Cell Biology}, volume = {101}, year = {2022}, month = {APR}, pages = {151202}, type = {Article}, abstract = {Cytoskeletal elements are the key players in cellular integrity, structure, signalling and migration. Each cytoskeletal element comprises of properties with respect to its structure and stability, which serve a specific array of functions. These structures are highly dynamic and regulated by modulation via direct interaction or post-translational modifications. HDAC6 is a cytoplasmic deacetylase known to regulate a wide range of cellular functions either through its deacetylase activity or direct interaction via its C-terminal ZnF UBP domain. HDAC6 has been widely studied for its role in aggresome formation, which acts as a protective mechanism upon protein aggregation. HDAC6 is known to play a critical role in the regulation of cytoskeletal elements-microtubules and actin filaments. This review summarizes the regulatory role of HDAC6 in cytoskeletal remodeling and dynamics of neuronal cells and its significance in neurodegenerative diseases.}, keywords = {Actin, Cell migration, Cytoskeleton remodeling, HDAC6, Microtubules, Podosomes, ZnF UBP}, issn = {0171-9335}, doi = {10.1016/j.ejcb.2022.151202}, author = {Abhishek Ankur Balmik and Subashchandrabose Chinnathambi} } @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 {48082, title = {Investigation of the captopril-insulin interaction by mass spectrometry and computational approaches reveals that captopril induces structural changes in insulin}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUL}, pages = {23115-23126}, type = {Article}, abstract = {

ABSTRACT: Post-translational modifications remarkably regulate proteins{\textquoteright} biological function. Small molecules such as reactive thiols, metabolites, and drugs may covalently modify the proteins and cause structural changes. This study reports the covalent modification and noncovalent interaction of insulin and captopril, an FDA-approved antihypertensive drug, through mass spectrometric and computation-based approaches. Mass spectrometric analysis shows that captopril modifies intact insulin, reduces it into its {\textquoteleft}{\textquoteleft}A{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} chains, and covalently modifies them by forming adducts. Since captopril has a reactive thiol group, it might reduce the insulin dimer or modify it by reacting with cysteine residues. This was proven with dithiothreitol treatment, which reduced the abundance of captopril adducts of insulin A and B chains and intact Insulin. Liquid chromatography tandem mass spectrometric analysis identified the modification of a total of four cysteine residues, two in each of the A and B chains of insulin. These modifications were identified to be Cys6 and Cys7 of the A chain and Cys7 and Cys19 of the B chain. Mass spectrometric analysis indicated that captopril may simultaneously modify the cysteine residues of intact insulin or its subunits A and B chains. Biophysical studies involving light scattering and thioflavin T assay suggested that the binding of captopril to the protein leads to the formation of aggregates. Docking and molecular dynamics studies provided insights into the noncovalent interactions and associated structural changes in insulin. This work is a maiden attempt to understand the detailed molecular interactions between captopril and insulin. These findings suggest that further investigations are required to understand the long-term effect of drugs like captopril.

}, issn = {2470-1343}, doi = {10.1021/acsomega.2c00660}, author = {Ghosh, Amrita and Pawar, Aiswarya B. and Chirmade, Tejas and Jathar, Swaraj M. and Bhambure, Rahul and Sengupta, Durba and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {48148, title = {Isoeugenol affects expression pattern of conidial hydrophobin gene RodA and transcriptional regulators MedA and SomA responsible for adherence and biofilm formation in Aspergillus fumigatus}, journal = {Archives of Microbiology}, volume = {204}, year = {2022}, month = {APR}, pages = {214}, type = {Article}, abstract = {

Aspergillus fumigatus is one of the major pathogenic fungal species, causing life-threatening infections. Due to a limited spectrum of available antifungals, exploration of new drug targets as well as potential antifungal molecules has become pertinent. Rodlet layer plays an important role in adherence of fungal conidia to hydrophobic cell surfaces in host, which also leads to A. fumigatus biofilm formation, contributing factor to fungal pathogenicity. From decades, natural sources have been known for the development of new active molecules. The present study investigates effect of isoeugenol on genes responsible for hydrophobins (RodA), adhesion as well as biofilm formation (MedA and SomA) of A. fumigatus. Minimum inhibitory concentrations (MIC and IC50) of isoeugenol against A. fumigatus were determined using broth microdilution assay. The IC50 results showed reduced hydrophobicity and biofilm formation as well as eradication after treatment with the compound and electron micrograph data corroborated these findings. The qRT-PCR showed a significant downregulation of genes RodA, MedA, SomA and pksP involved in hydrophobicity and biofilm formation. SwissADME studies potentiated drug-like propensity for isoeugenol which formed four hydrogen bonds with low binding energy (- 4.54 kcal/mol) at the catalytic site of RodA protein studied via AutoDock4. Hence, the findings conclude that isoeugenol inhibits conidial hydrophobicity and biofilm formation of A. fumigatus and further investigations are warranted in this direction.

}, keywords = {Aspergillus fumigatus, Hydrophobicity, Isoeugenol, Transcription regulators, Virulence}, issn = {0302-8933}, doi = {10.1007/s00203-022-02817-w}, author = {Gupta, Lovely and Sen, Pooja and Bhattacharya, Asish K. and Vijayaraghavan, Pooja} } @article {48159, title = {Isolation and structural characterization of exopolysaccharide from marine Bacillus sp. and its optimization by Microbioreactor}, journal = {Carbohydrate Polymers}, volume = {285}, year = {2022}, month = {JUN }, pages = {119241}, type = {Article}, abstract = {

In the present study, a cost-effective, robust Microbioreactor based production optimization of levan like exopolysaccharide from marine Bacillus sp. SGD-03 was analysed. FE-SEM analysis has showed the significant fibrillar structure of EPS. Size exclusion chromatography and other analytical data revealed that, produced EPS has a molecular weight of 1.0 x 10(4) Da and is composed of fructose monosaccharide with hydroxyl, carbonyl, and ether groups. The backbone structure of EPS has a branching pattern of beta-(2,6) linkages which confirms the similarity with available levan like polymers. The cost-effective media composition for levan production was demonstrated. The maximum yield of crude levan obtained was 123.9 g/L by response surface methodology using robust BioLector Pro Microbioreactor, and same has been validated with shake flask, 1 L and 10 L pilot-scale fermentation.

}, keywords = {EPS, marine, Microbioreactor, Optimization, structure}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119241}, author = {Wagh, Vasudev S. and Said, Madhukar S. and Bennale, Jagadish S. and Dastager, Syed G.} } @article {48352, title = {Kinetic study on alkylation of hydroquinone with methanol over SO3H functionalized Bronsted acidic ionic liquids}, journal = {Canadian Journal of Chemical Engineering}, volume = {100}, year = {2022}, month = {OCT}, pages = {2986-2996}, type = {Article}, abstract = {

O-alkylation of a dihydric phenol (i.e., hydroquinone) with methanol in presence of benzoquinone catalyzed by double SO3H functionalized Bronsted acidic ionic liquids (i.e., 1,3-disulphonic acid imidazolium hydrogen sulphate, 1,3-disulphonic acid benzimidazolium hydrogen sulphate, and sulphuric acid) is studied in a batch reactor. The sensitivity of activity and selectivity with reaction time, temperature, speed of agitation, and catalyst loading was examined. The plausible reaction pathways proposed based on the experimental observations and detailed kinetic investigation are performed by assuming a homogeneous reaction phase. The kinetic parameters, such as pre-exponential factor and activation energy, are estimated for both ionic liquids and sulphuric acid by considering all competitive reactions, and comparative results were presented. An extended form of the Arrhenius equation is used to estimate the kinetic parameters for the reaction which showed curvature in lnk against a 1/T plot. The model prediction with the estimated kinetic parameters is in good agreement with the experimental data, which confirmed the model validity in the experimental operating range. It was found that ionic liquid has a potential application in the synthesis of a selective monoalkylated product of hydroquinone. The kinetic analysis performed is found to be useful in the understanding of process behaviour.

}, keywords = {4-Methoxyphenol, Hydroquinone, ionic liquids, Kinetic analysis, O-alkylation}, issn = {0008-4034}, doi = {10.1002/cjce.24307}, author = {Bhongale, V. Priyanka and Amonkar, Amogh A. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {48235, title = {Kupyaphores are zinc homeostatic metallophores required for colonization of Mycobacterium tuberculosis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {119}, year = {2022}, month = {FEB}, pages = {e2110293119}, type = {Article}, abstract = {

Mycobacterium tuberculosis (Mtb) endures a combination of metal scarcity and toxicity throughout the human infection cycle, contributing to complex clinical manifestations. Pathogens counteract this paradoxical dysmetallostasis by producing specialized metal trafficking systems. Capture of extracellular metal by siderophores is a widely accepted mode of iron acquisition, and Mtb iron-chelating siderophores, mycobactin, have been known since 1965. Currently, it is not known whether Mtb produces zinc scavenging molecules. Here, we characterize low-molecular-weight zinc-binding compounds secreted and imported by Mtb for zinc acquisition. These molecules, termed kupyaphores, are produced by a 10.8 kbp biosynthetic cluster and consists of a dipeptide core of ornithine and phenylalaninol, where amino groups are acylated with isonitrilecontaining fatty acyl chains. Kupyaphores are stringently regulated and support Mtb survival under both nutritional deprivation and intoxication conditions. A kupyaphore-deficient Mtb strain is unable to mobilize sufficient zinc and shows reduced fitness upon infection. We observed early induction of kupyaphores in Mtb-infected mice lungs after infection, and these metabolites disappeared after 2 wk. Furthermore, we identify an Mtb-encoded isonitrile hydratase, which can possibly mediate intracellular zinc release through covalent modification of the isonitrile group of kupyaphores. Mtb clinical strains also produce kupyaphores during early passages. Our study thus uncovers a previously unknown zinc acquisition strategy of Mtb that could modulate host-pathogen interactions and disease outcome.

}, keywords = {metallophore, nutritional immunity, tuberculosis, zinc}, issn = {0027-8424}, doi = {10.1073/pnas.2110293119}, author = {Mehdiratta, Kritee and Singh, Shubham and Sharma, Sachin and Bhosale, Rashmi S. and Choudhury, Rahul and Masal, Dattatraya P. and Manocha, Alzu and Dhamale, Bhushan Dilip and Khan, Naseem and Asokachandran, Vivekanand and Sharma, Pooja and Ikeh, Melanie and Brown, Amanda C. and Parish, Tanya and Ojha, Anil K. and Michael, Joy Sarojini and Faruq, Mohammed and Medigeshi, Guruprasad R. and Mohanty, Debasisa and Reddy, D. Srinivasa and Natarajan, Vivek T. and Kamat, Siddhesh S. and Gokhale, Rajesh S.} } @article {48071, title = {Ligand dynamics time scales identify the surface-ligandinteractions in thiocyanate-capped cadmium sulfide nanocrystals}, journal = {Journal of Physical Chemistry Letters}, volume = {13}, year = {2022}, month = {APR }, pages = {3059-3065}, type = {Article}, abstract = {

The nanocrystal surface, which acts as an interface between thesemiconductor lattice and the capping ligands, plays a significant role in theattractive photophysical properties of semiconductor nanocrystals for use in awide range of applications. Replacing the long-chain organic ligands with shortinorganic variants improves the conductivity and carrier mobility of nanocrystal-based devices. However, our current understanding of the interactions betweenthe inorganic ligands and the nanocrystals is obscure due to the lack ofexperiments to directly probe the inorganic ligands. Herein, using two-dimensional infrared spectroscopy, we show that the variations in the inorganicligand dynamics within the heterogeneous nanocrystal ensemble can identifythe diversities in the inorganic ligand-nanocrystal interactions. The liganddynamics time scale in SCN-capped CdS nanocrystals identifies three distinctligand populations and provides molecular insight into the nanocrystal surface.Our results demonstrate that the SCN-ligands engage in a dynamic equilibriumand stabilize the nanocrystals by neutralizing the surface charges through both direct binding and electrostatic interaction.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.2c00493}, author = {Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {48236, title = {Machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys}, journal = {Computers in Biology and Medicine}, volume = {146}, year = {2022}, month = {JUL}, pages = {105419}, type = {Article}, abstract = {

Data science has been an invaluable part of the COVID-19 pandemic response with multiple applications, ranging from tracking viral evolution to understanding the vaccine effectiveness. Asymptomatic breakthrough infections have been a major problem in assessing vaccine effectiveness in populations globally. Serological discrimination of vaccine response from infection has so far been limited to Spike protein vaccines since whole virion vaccines generate antibodies against all the viral proteins. Here, we show how a statistical and machine learning (ML) based approach can be used to discriminate between SARS-CoV-2 infection and immune response to an inactivated whole virion vaccine (BBV152, Covaxin). For this, we assessed serial data on antibodies against Spike and Nucleocapsid antigens, along with age, sex, number of doses taken, and days since last dose, for 1823 Covaxin recipients. An ensemble ML model, incorporating a consensus clustering approach alongside the support vector machine model, was built on 1063 samples where reliable qualifying data existed, and then applied to the entire dataset. Of 1448 self-reported negative subjects, our ensemble ML model classified 724 to be infected. For method validation, we determined the relative ability of a random subset of samples to neutralize Delta versus wild-type strain using a surrogate neutralization assay. We worked on the premise that antibodies generated by a whole virion vaccine would neutralize wild type more efficiently than delta strain. In 100 of 156 samples, where ML prediction differed from self-reported uninfected status, neutralization against Delta strain was more effective, indicating infection. We found 71.8\% subjects predicted to be infected during the surge, which is concordant with the percentage of sequences classified as Delta (75.6\%-80.2\%) over the same period. Our approach will help in real-world vaccine effectiveness assessments where whole virion vaccines are commonly used.

}, keywords = {BBV152, Covaxin, COVID-19, Ensemble methods, Infection, machine learning, SARS-CoV-2}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2022.105419}, author = {Singh, Prateek and Ujjainiya, Rajat and Prakash, Satyartha and Naushin, Salwa and Sardana, Viren and Bhatheja, Nitin and Singh, Ajay Pratap and Barman, Joydeb and Kumar, Kartik and Gayali, Saurabh and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Lahiri, Amit and Kar, Susanta and Bhosale, Vivek and Srivastava, Mrigank and Mugale, Madhav Nilakanth and Pandey, C. P. and Khan, Shaziya and Katiyar, Shivani and Raj, Desh and Ishteyaque, Sharmeen and Khanka, Sonu and Rani, Ankita and Promila and Sharma, Jyotsna and Seth, Anuradha and Dutta, Mukul and Saurabh, Nishant and Veerapandian, Murugan and Venkatachalam, Ganesh and Bansal, Deepak and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Veeranna, Ravindra P. and Pal, Anirban and Singh, Ranvijay Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Rahman, Syed Nasar and Selvakumar, Gopika and Venkatesan, Subramanian and Karmakar, Malay Kumar and Sardana, Harish Kumar and Kothari, Anamika and Parihar, Devendra Singh and Thakur, Anupma and Saifi, Anas and Gupta, Naman and Singh, Yogita and Reddu, Ritu and Gautam, Rizul and Mishra, Anuj and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Padwad, Yogendra and Patial, Vikram and Hallan, Vipin and Singh, Damanpreet and Tirpude, Narendra and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sistla, Ramakrishna and Balthu, Narender Kumar and Kumar, Kiran A. and Ranjith, Siva and Kumar, B. Vijay and Jamwal, Piyush Singh and Wali, Anshu and Ahmed, Sajad and Chouhan, Rekha and Gandhi, Sumit G. and Sharma, Nancy and Rai, Garima and Irshad, Faisal and Jamwal, Vijay Lakshmi and Paddar, Masroor Ahmad and Khan, Sameer Ullah and Malik, Fayaz and Ghosh, Debashish and Thakkar, Ghanshyam and Barik, S. K. and Tripathi, Prabhanshu and Satija, Yatendra Kumar and Mohanty, Sneha and Khan, Md Tauseef and Subudhi, Umakanta and Sen, Pradip and Kumar, Rashmi and Bhardwaj, Anshu and Gupta, Pawan and Sharma, Deepak and Tuli, Amit and Chaudhuri, Saumya Ray and Krishnamurthi, Srinivasan and Prakash, L. and Rao, V. Ch and Singh, B. N. and Chaurasiya, Arvindkumar and Chaurasiya, Meera and Bhadange, Mayuri and Likhitkar, Bhagyashree and Mohite, Sharada and Patil, Yogita and Kulkarni, Mahesh and Joshi, Rakesh and Pandya, Vaibhav and Mahajan, Sachin and Patil, Amita and Samson, Rachel and Vare, Tejas and Dharne, Mahesh and Giri, Ashok and Mahajan, Sachin and Paranjape, Shilpa and Sastry, G. Narahari and Kalita, Jatin and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, RaviKumar and Dutta, Prachurjya and Singh, Moirangthem Goutam and Gogoi, Gayatri and Tapadar, Yasmin Begam and Babu, Elapavalooru V. S. S. K. and Sukumaran, Rajeev K. and Nair, Aishwarya R. and Puthiyamadam, Anoop and Valappil, Prajeesh Kooloth and Prasannakumari, Adrash Velayudhan Pillai and Chodankar, Kalpana and Damare, Samir and Agrawal, Ved Varun and Chaudhary, Kumardeep and Agrawal, Anurag and Sengupta, Shantanu and Dash, Debasis} } @article {48085, title = {Magnetostriction studies on transition metal substituted cobalt ferrite}, journal = {Journal of the Indian Chemical Society}, volume = {99}, year = {2022}, month = {AUG}, pages = {100599}, type = {Article}, abstract = {

Structural, magnetic and microstructural properties of transition metal (TM) substituted cobalt ferrite Co0.9TM0.1Fe2O4 (where TM = Ti, Cr, Mn, Ni and Cu and Zn) were investigated. The present study shows marked dependence of the magnetostriction on the concentration of the substituted transition metal ions for Cobalt in CoFe2O4. The magnetic characteristics of the prepared compositions such as coercivity, anisotropy constant and saturation magnetization changed significantly on transition metal substitution. The present study shows the way to tune the anisotropy of cobalt ferrite by effective substitution of other transition metal ions for Co which subsequently affects the stress sensing performance by changing the slope of the magnetostriction curve. Apart from the magnetic properties the microstructure can also be effectively modified by substitution of other transition metal ions. Only 10\% substitution of cobalt showed drastic influence on magnetostriction and slope of magnetostriction curve. The composition with 10\% nickel Co0.9Ni0.1Fe2O4 exhibited maximum slope for the magnetostriction curve of -53.7 ppm/Oe, along with reasonably high magnitude of strain of 186 ppm making it a suitable for exploring stress sensing applications.

}, keywords = {Ferrite, Magnetoelastic, Magnetostriction, oxide, stress sensing}, issn = {0019-4522}, doi = {10.1016/j.jics.2022.100599}, author = {Bhame, D. Shekhar and Bhapkar, Abhishek and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {48048, title = {Mechanistic insight the visible light driven hydrogen generation by plasmonic Au-Cu alloy mounted on TiO2 @B-doped g-C3N4 heterojunction photocatalyst}, journal = {Journal of Alloys and Compounds}, volume = {909}, year = {2022}, month = {JUL}, pages = {164754}, type = {Article}, abstract = {

Designing of two dimensional surfaces and interfaces with light-active materials has been established as a versatile approach to increase their photocatalytic activity. In the present work, n-type anatase TiO2 coupled with p-type B-doped g-C3N4 nanosheet (BCN) were fabricated and Au-Cu nanoalloy with varying atomic ratio were deposited on the p-n heterojunction. The incorporation of Au-Cu on the interface of the dyad enhances light absorption over broad regime, charge separation, and migration. Au-Cu with 1:1 ratio (with an average particle size of 1.2 nm) loaded p-n hetrojunction (TBCAC-1:1) shows excellent photocurrent enhancement (approximately 4.4-folds) in the cathodic direction as compared to their monometallic plasmonic counterpart. Additionally, the catalyst shows photocurrent at zero biased potential as well as lower onset potential as compared to the other alloy. TBCAC-1:1 photocatalyst could able to produce 2150 mu mol h(-1)g(-1) of hydrogen, which is (approximately 3-folds) as compared to their monometallic counterparts. The hydrogen evolution process for Au-Cu (1:1) system was found to be governed by the charge distribution which dictates the binding preference of the Au and Cu sites leading to the water splitting as investigated by DFT calculation. The excellent hydrogen generation by the photocatalyst links to the synergistic effect between Au and Cu associated with the hot electron photochemistry due to surface plasmon resonance phenomenon. (C) 2022 Published by Elsevier B.V.

}, keywords = {Doped carbon nitride, hydrogen production, LSPR, P-n junction, Photocatalysis, Plasmonic alloy}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2022.164754}, author = {Babu, Pradeepta and Dash, Soumya Ranjan and Parida, Kulamani} } @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 {47984, title = {Methanol-to-light olefins reaction using Zn-Ag modified SSZ-13 catalyst}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {SEP}, pages = {e202201476}, type = {Article}, abstract = {

The 2 wt.\% of Zn and Ag (Zn1-x-Ag-x; x=0.2, 0.4, 0.6 \%) modified SSZ-13 (SZ-13) zeolite was prepared by wet-impregnation method, and its catalytic activity was demonstrated for methanol-to-olefin (MTO). The Zn-0.6-Ag-0.4/SZ-13 catalyst exhibited high catalytic activity due to change in properties of catalyst. The Zn particles were highly dispersed inside the SZ-13; while Ag particles were dispersed on the surface of SZ-13, confirmed by HRTEM and surface area. The small \% of Ag over SZ-13 promotes ethylene production via aromatization of reaction, and highly dispersed Zn on SZ-13 help to produce stable ethylene and propylene. The Zn-0.6-Ag-0.4/SZ-13 catalyst showed (similar to 10 \%) higher light olefin (87 \%) selectivity than parent SZ-13 as well as mono metal incorporated SZ-13. The higher catalytic activity was attributed due to effect of both metals (Zn and Ag), where Ag promotes partial aromatization on the surface, and Zn increases the Lewis acidity in the zeolite pore. This catalyst can help to improve the selectivity of light olefin using MTO reaction.

}, keywords = {Ethylene, Methanol-to-Olef, Propyl, Silver, SSZ, zinc}, issn = {2365-6549}, doi = {10.1002/slct.202201476}, author = {Dange, Rutvija M. and Gawali, Chirag B. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48021, title = {Microwave-assisted selective N-alkylation of aniline over molybdenum supported catalyst}, journal = {Catalysis Communications}, volume = {168}, year = {2022}, month = {AUG}, pages = {106464}, type = {Article}, abstract = {

Selective N-alkylation of aniline is a tough and challenging reaction due to over alkylation, therefore, catalyst with specific characteristics is needed to accomplish such transformations. In this work, a series of catalysts with molybdenum supported on alumina are prepared and subjected to various reaction conditions, out of which 30 PMA (Phosphomolybdic acid) showed the best result due to its proper combination of acidic sites. This reaction is sustainable and environmentally friendly as it is carried out with methanol as an alkylating source in the presence of microwave radiation at low temperature. The reaction data was compared with various other reactor systems too.

}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106464}, author = {Bhatkar, Akash and Mane, Samruddhi and Mekala, Siva Prasad and Gogoi, Pranjal and Mohapatra, Gourab and Ramakrishnan, Archana and Marimuthu, Prabu and Thirumalaiswamy, Raja} } @article {47118, title = {Molecular elucidation of pancreatic elastase inhibition by baicalein}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUL}, pages = {5759-5768}, type = {Article}, abstract = {

The serine protease, elastase exists in various forms and plays diverse roles in the human body. Pharmacological inhibition of elastase has been investigated for its therapeutic role in managing conditions such as diabetes, pneumonia and arthritis. Sivelestat, a synthetic molecule, is the only elastase inhibitor to have been approved by any major drug regulatory authority (PMDA, in this case) - but still has failed to attain widespread clinical usage owing to its high price, cumbersome administration and obscure long-term safety profile. In order to find a relatively better-suited alternative, screening was conducted using plant flavonoids, which yielded baicalein, a molecule that showed robust inhibition against Pancreatic Elastase inhibition (IC50: 3.53 mu M). Other than having a considerably lower IC(50)than sivelestat, baicalein is also cheaper, safer and easier to administer. While MicroScale Thermophoresis validated baicalein-elastase interaction, enzyme-kinetic studies, molecular docking and molecular dynamic simulation revealed the mode of inhibition to be non-competitive. Baicalein exhibited binding to a distinct allosteric site on the enzyme. The current study demonstrates the elastase inhibition properties of baicalein in an in-vitro and in-silico environment.

}, keywords = {Baicalein, elastase, Enzyme inhibition, molecular interaction, sivelestat}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1873189}, author = {Ghosh, Debajeet and Bansode, Sneha and Joshi, Rakesh and Kolte, Baban and Gacche, Rajesh} } @article {48157, title = {Morphology-tuned Pt3Ge accelerates water dissociation to industrial-standard hydrogen production over a wide pH range}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {JUL}, pages = {2202294}, type = {Article}, abstract = {

The discovery of novel materials for industrial-standard hydrogen production is the present need considering the global energy infrastructure. A novel electrocatalyst, Pt3Ge, which is engineered with a desired crystallographic facet (202), accelerates hydrogen production by water electrolysis, and records industrially desired operational stability compared to the commercial catalyst platinum is introduced. Pt3Ge-(202) exhibits low overpotential of 21.7 mV (24.6 mV for Pt/C) and 92 mV for 10 and 200 mA cm(-2) current density, respectively in 0.5 m H2SO4. It also exhibits remarkable stability of 15 000 accelerated degradation tests cycles (5000 for Pt/C) and exceptional durability of 500 h (@10 mA cm(-2)) in acidic media. Pt3Ge-(202) also displays low overpotential of 96 mV for 10 mA cm(-2) current density in the alkaline medium, rationalizing its hydrogen production ability over a wide pH range required commercial operations. Long-term durability (\>75 h in alkaline media) with the industrial level current density (\>500 mA cm(-2)) has been demonstrated by utilizing the electrochemical flow reactor. The driving force behind this stupendous performance of Pt3Ge-(202) has been envisaged by mapping the reaction mechanism, active sites, and charge-transfer kinetics via controlled electrochemical experiments, ex situ X-ray photoelectron spectroscopy, in situ infrared spectroscopy, and in situ X-ray absorption spectroscopy further corroborated by first principles calculations.

}, keywords = {Electrochemistry, hydrogen production, intermetallics, water electrolysis}, issn = {0935-9648}, doi = {10.1002/adma.202202294}, author = {Mondal, Soumi and Sarkar, Shreya and Bagchi, Debabrata and Das, Tisita and Das, Risov and Singh, Ashutosh Kumar and Prasanna, Ponnappa Kechanda and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {48343, title = {Nickel-catalyzed direct synthesis of N-substituted indoles from amino alcohols and alcohols}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {9054-9059}, type = {Article}, abstract = {

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

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03617}, author = {Yadav, Vinita and Jagtap, Sayali G. and Balaraman, Ekambaram and Mhaske, Santosh B.} } @article {48175, title = {Novel crystal forms of Entresto: a supramolecular complex of trisodium sacubitril/valsartan hemi-pentahydrate}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {OCT}, pages = {7387-7393}, type = {Article}, abstract = {

Entresto is a salt-cocrystal supramolecular complex with the chemical name trisodium sacubitril/valsartan hemi-pentahydrate for treating chronic heart failure and was approved by the US FDA in 2015. This multidrug complex was synthesized in our laboratory to investigate its polymorphic behavior. Different crystallization conditions, including various solvent systems, yielded different novel solid forms of Entresto (Form-I to Form-VI), including the reported form. All the novel solids are solvent-dependent and were reproducibly crystallized on a 10 g scale quantity. The 1H NMR spectra confirmed the 1 : 1 stoichiometry of the two drugs, namely, sacubitril and valsartan, in all the solid forms of the crystalline products. Powder X-ray diffraction and DSC analysis of the crystalline solids established that they are distinct crystalline forms. Stability studies under ambient conditions carried out over a one-year period showed higher stability for Form-I and Form-III compared to the other forms, including the innovator crystal form (labelled as Form-II). The novel crystal forms (notably Form-I and Form-III) exhibit higher stability and less hygroscopicity than the reported Form-II.

}, doi = {10.1039/d2ce01009g}, author = {Shaikh, Tabrez R. and George, Christy P. and Bhukya, Priyanka and Shelke, Nikita and Pawar, Komal and Garai, Abhijit and Dandela, Rambabu and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {48167, title = {On-off infrared absorption of the S=O vibrational probe of dimethyl sulfoxide}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JUN}, pages = {4501-4508}, type = {Article}, abstract = {

Dimethyl sulfoxide (DMSO), a polar solvent molecule, is used in a wide range of therapeutic and such as dimerization and hydrogen bonding with water, are crucial to understanding the role of DMSO in applications. Herein, we study DMSO in various solvation environments to decipher the environment-dependent dimerization and hydrogen-bonding propensity. We use a combination of infrared spectroscopy, quantum mechanical calculations, and molecular dynamics simulations to reach our conclusions. Although DMSO can exist in a dynamic equilibrium between monomers and dimers, our results show that the relative intensity of the S=O stretch and the CH3 rocking modes is a spectroscopic indicator of the extent of DMSO dimerization in solution. The dimerization (self-association) is seen to be maximum in neat DMSO. When dissolved in different solvents, the dimerization propensity decreases with increasing solvent polarity. In the presence of a protic solvent, such as water, DMSO forms a hydrogen bond with the solvent molecules, thereby reducing the extent of dimerization. Further, we estimate the hydrogen-bond occupancy of DMSO. Our results show that DMSO predominantly exists as doubly hydrogen-bonded in water.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c105584501J}, author = {Chakrabarty, Suranjana and Deshmukh, Samadhan H. and Barman, Anjan and Bagchi, Sayan and Ghosh, Anup} } @article {48072, title = {Perception of glycerol carbonate as green chemical: synthesis and applications}, journal = {Catalysis Communications}, volume = {172}, year = {2022}, month = {DEC}, pages = {106542}, type = {Article}, abstract = {

Glycerol carbonate (GC) is a prominent component in industrial practice and has a remarkable potential for the sophisticated applications. While GC has come into prominence due to the perceived overflow of glycerol (GLY) as a coproduct of biodiesel industry, its contemporary and future downstream applications are driving tremendous interest in recent years. This review comprises strategies for glycerol carbonate synthesis, properties and its applications. The conversion of GLY to GC via transesterification has appeared in consensus to be the most promising route. A detailed explanation of the effect of the catalysts and operating conditions on the GC yield to provide an updated understanding of the process are summarized. Future directions for GC production through catalytic transesterification are also discussed.

}, keywords = {Biodiesel, biofuels, catalysis, Glycerol, Glycerol carbonate, green chemistry, transesterification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106542}, author = {Gade, Swapna M. and Saptal, Vitthal B. and Bhanage, Bhalchandra M.} } @article {48124, title = {Polymorphs of green fluorescence protein chromophore analogue: fluorescence switching with thermal stimuli}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {MAR }, pages = {1892-1905}, type = {Article}, abstract = {

Polymorphs of fluorescent organic materials offer significant implications in optoelectronics and advanced materials as they modulate photoluminescence properties. A slight alteration in the conformation/packing of molecules in the crystals shows variation in photoluminescence. This necessitates the polymorph screening of these materials to develop novel crystalline forms with distinct fluorescence emissions for broader application. In continuation of our work on the polymorph screening of Green Fluorescence Protein Chromophore (GFPc), we have synthesized a new imidazoline derivative, ethyl (Z)-2-(2-methyl-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-imi dazol-1- yl)acetate (1). Polymorph screening of 1 under different crystallization conditions revealed three polymorphs, Form I (needle), Form II (block), and Form III (polycrystalline material). Forms I and II are the outcome of solution crystallization, whereas Form III was produced from the melt crystallization of Forms I and II. DSC, HSM, and powder and single-crystal XRD studies indicate the conversion of Form I and Form III crystals to Form II crystals on thermal stimuli. The photoluminescence studies revealed cyan, yellow, and yellowish-green fluorescence emission for Forms I, II, and III crystals, respectively. The difference in photoluminescence could be due to the variance in aggregation modes like H-aggregation in Form I and J-aggregation in Form II crystals. Form I, Form II, and Form III crystals also showed irreversible thermal fluorescent switching from cyan-yellow-green due to polymorphic phase transitions. The study correlates the direct observation of the modulation of the excited-state transition under thermal stimuli in the crystalline phase. It will help augment the pace in the research of thermally responsive fluorescent materials.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c01459}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {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 {48094, title = {Potential- and time-dependent dynamic nature of an oxide-derived pdin nanocatalyst during electrochemical CO2 reduction}, journal = {ACS Nano}, volume = {16}, year = {2022}, month = {APR}, pages = {6185-6196}, type = {Article}, abstract = {

Electrochemical reduction of CO2 into valuable fuels and chemicals is a promising route of replacing fossil fuels by reducing CO2 emissions and minimizing its adverse effects on the climate. Tremendous efforts have been carried out for designing efficient catalyst materials to selectively produce the desired product in high yield from CO2 by the electrochemical process. In this work, a strategy is reported to enhance the electrochemical CO2 reduction reaction (ECO2RR) by constructing an interface between a metal-based alloy (PdIn) nanoparticle and an oxide (In2O3), which was synthesized by a facile solution method. The oxide-derived PdIn surface has shown excellent eCO(2)RR activity and enhanced CO selectivity with a Faradaic efficiency (FE) of 92.13\% at -0.9 V (vs RHE). On the other hand, surface PdO formation due to charge transfer on the bare PdIn alloy reduces the CO2RR activity. With the support of in situ (EXAFS and IR) and ex situ (XPS, Raman) spectroscopic techniques, the optimum presence of the Pd-In-O interface has been identified as a crucial parameter for enhancing eCO(2)RR toward CO in a reducing atmosphere. The influence of eCO(2)RR duration is reported to affect the overall performance by switching the product selectivity from H-2 (from water reduction) to CO (from eCO(2)RR) on the oxide-derived alloy surface. This work also succeeded in the multifold enhancement of the current density by employing the gas diffusion electrode (GDE) and optimizing its process parameters in a flow cell configuration.

}, keywords = {CO2 reduction, Electrochemistry, heterostructure interface, in situ mechanism, nanocatalyst}, issn = {1936-0851}, doi = {10.1021/acsnano.1c11664}, author = {Bagchi, Debabrata and Sarkar, Shreya and Singh, Ashutosh Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48057, title = {Predicting the redox potentials of phenazine derivatives using DFT-assisted machine learning}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {APR }, pages = {11742-11755}, type = {Article}, abstract = {

This study investigates four machine-learning (ML) models to predict the redox potentials of phenazine derivatives in dimethoxyethane using density functional theory (DFT). A small data set of 151 phenazine derivatives having only one type of functional group per molecule (20 unique groups) was used for the training. Prediction accuracy was improved by a combined strategy of feature selection and hyperparameter optimization, using the external validation set. Models were evaluated on the external test set containing new functional groups and diverse molecular structures. High prediction accuracies of R2 \> 0.74 were obtained on the external test set. Despite being trained on the molecules with a single type of functional group, models were able to predict the redox potentials of derivatives containing multiple and different types of functional groups with good accuracies (R2 \> 0.7). This type of performance for predicting redox potential from such a small and simple data set of phenazine derivatives has never been reported before. Redox flow batteries (RFBs) are emerging as promising candidates for energy storage systems. However, new green and efficient materials are required for their widespread usage. We believe that the hybrid DFT-ML approach demonstrated in this report would help in accelerating the virtual screening of phenazine derivatives, thus saving computational and experimental costs. Using this approach, we have identified promising phenazine derivatives for green energy storage systems such as RFBs.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c06856}, author = {Ghule, Siddharth and Dash, Soumya Ranjan and Bagchi, Sayan and Joshi, Kavita and Vanka, Kumar} } @article {48110, title = {Probing the site-specific reactivity and catalytic activity of Ag-n (n=15-20) silver clusters}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUN }, pages = {19687-19693}, type = {Article}, abstract = {

Density functional theory calculations within the framework of generalized gradient approximation (GGA), meta-GGA, and local functionals were carried out to investigate the reactivity and catalytic activity of Ag-n (n = 15-20) clusters. Our results reveal that all the Ag-n dusters in this size range, except Ag-20, adsorb O-2 preferably in the bridged mode with enhanced binding energy as compared to the atop mode. The O-2 binding energies range from 0.77 to 0.29 in the bridged mode and from 0.36 to 0.15 eV in the atop mode of O-2 adsorption. The strong binding in the case of the bridged mode of O-2 adsorption is also reflected in the increase in O-O bond distance. Natural bond orbital charge analysis and vibrational frequency calculations reveal that enhanced charge transfer occurs to the O-2 molecule and there is significant red shift in the stretching frequency of O-O bond in the case of the bridged mode of O-2 adsorption on the clusters, thereby confirming the above results. Moreover, the simulated CO oxidation reaction pathways show that the oxidation of the CO molecule is highly facile on Ag-16 and Ag-18 clusters involving small kinetic barriers and higher heats toward CO2 formation.

}, issn = {2470-1343}, doi = {10.1021/acsomega.2c01437}, author = {Anis, Insha and Dar, Mohd Saleem and Bhat, Gulzar Ahmad and Rather, Ghulam Mohammad and Dar, Manzoor Ahmad} } @article {48104, title = {Process development for crystalline xylitol production from corncob biomass by Pichia caribbica}, journal = {Food and Bioproducts Processing}, volume = {133}, year = {2022}, month = {MAY}, pages = {45-56}, type = {Article}, abstract = {

Xylitol, a commodity chemical, is widely used in nutraceutical and pharmaceutical formulations. Microbial xylitol production is a promising alternative to mitigate current industrial practice issues and offers an environment-friendly sustainable conversion route. This study demonstrates a bioprocess for xylitol production from corncob using a mesophilic yeast Pichia caribbica. Corncob was hydrolyzed by dilute acid and steam explosion to recover fermentable xylose and used as the feed for xylitol production. Activated carbon treatment (3\% w/v) completely removed the biomass-derived inhibitors furfural and hydroxymethyl furfural from the liquid hydrolysate. The fermenting yeast Pichia caribbica produced 124.1 +/- 0.45 g/L xylitol from the detoxified and concentrated corncob hydrolysate with a high yield of 0.80 +/- 0.02 g/g. The crystallized xylitol with 96.5\% purity demonstrated no harmful effects on the cell line used as a control for the in-vitro toxicity studies. This proof of concept can be applied to help scale up for bio-refinery-based large-scale production of xylitol from corncob biomass.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Biomass, Corncob, Detoxification, Fermentation, Toxicity analysis, xylitol}, issn = {0960-3085}, doi = {10.1016/j.fbp.2022.02.006}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Sarkar, Bipul and More, Snehal and Ghosh, Debashish and Bhaskar, Thallada and Ray, Anjan} } @article {48002, title = {Process optimization for biodiesel production using agro-waste substrate}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {44}, type = {Meeting Abstract}, issn = {0003-021X}, author = {RaviKumar, Ameeta and Bed, Rashmi and Kumar, V. Ravi} } @article {48404, title = {Proteomic profile of candida albicans biofilm}, journal = {Journal of Proteomics}, volume = {265}, year = {2022}, month = {AUG }, pages = {104661}, type = {Article}, abstract = {

Candida albicans biofilms are characterized by structural and cellular heterogeneity that confers antifungal resistance and immune evasion. Despite this, biofilm formation remains poorly understood. In this study, we used proteomic analysis to understand biofilm formation in C. albicans related to morphophysiological and architectural features. LC-MS/MS analysis revealed that 64 proteins were significantly modulated, of which 31 were upregulated and 33 were downregulated. The results indicate that metabolism (25 proteins), gene expression (13 proteins), stress response (7 proteins), and cell wall (5 proteins) composition are modulated. The rate of oxidative phosphorylation (OxPhos) and biosynthesis of UDP-N-acetylglucosamine, vitamin B6, and thiamine increased, while the rate of methionine biosynthesis decreased. There was a significant modification of the cell wall architecture due to higher levels of Sun41, Pir1 and Csh1 and increased glycosylation of proteins. It was observed that C. albicans induces hyphal growth by upregulating the expression of genes involved in cAMP-PKA and MAPK pathways. This study is significant in that it suggests an increase in OxPhos and alteration of cell wall architecture that could be contributing to the recalcitrance of C. albicans cells growing in biofilms. Nevertheless, a deeper investigation is needed to explore it further.Significance: Candida sps is included in the list of pathogens with potential drug resistance threat due to the increased frequency especially colonization of medical devices, and tissues among the patients, in recent years. Significance of our study is that we are reporting traits like modulation in cell wall composition, amino acid and vitamin biosynthesis and importantly energy generation (OxPhos) etc. These traits could be conferring antifungal resistance, host immune evasion etc. and thus survival, in addition to facilitating biofilm formation. These findings are expected to prime the further studies on devising potent strategy against biofilm growth among the patients.

}, keywords = {Biofilm, Candida albicans, Cell wall, LC-MS, Metabolism, MS, proteomics}, issn = {1874-3919}, doi = {10.1016/j.jprot.2022.104661}, author = {Abdulghani, Mazen and Iram, Rasiqua and Chidrawar, Priti and Bhosle, Kajal and Kazi, Rubina and Patil, Rajendra and Kharat, Kiran and Zore, Gajanan} } @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 {48091, title = {Reference quality genome sequence of Indian pomegranate cv. {\textquoteleft}Bhagawa{\textquoteright} (Punica granatum L.)}, journal = {Frontiers in Plant Science}, volume = {13}, year = {2022}, month = {SEP}, pages = {947164}, type = {Article}, abstract = {

Pomegranate is an important fruit crop for ensuring livelihood and nutrition security in fragile semi-arid regions of the globe having limited irrigation resources. This is a high-value, nutritionally rich, and export-oriented agri-commodity that ensures high returns on investment to growers across the world. Although it is a valuable fruit crop, it has received only a limited genomics research outcome. To fast-track the pomegranate improvement program, de novo whole-genome sequencing of the main Indian cultivar {\textquoteleft}Bhagawa{\textquoteright} was initiated by the Indian Council of Agricultural Research-National Research Center on Pomegranate (ICAR-NRCP). We have demonstrated that a combination of commercially available technologies from Illumina, PacBio, 10X Genomics, and BioNano Genomics could be used efficiently for sequencing and reference-grade de novo assembly of the pomegranate genome. The research led to a final reference-quality genome assembly for {\textquoteleft}Bhagawa{\textquoteright} of 346.08 Mb in 342 scaffolds and an average N50 of 16.12 Mb and N90 of 1088.62 Kb. This assembly covered more than 98\% of the estimated pomegranate genome size, 352.54 Mb. The LTR assembly index (LAI) value of 10 and 93.68\% Benchmarking Universal Single-Copy Orthologs (BUSCO) completeness score over the 1,440 ortholog genes of the completed pomegranate genome indicates the quality of the assembled pomegranate genome. Furthermore, 29,435 gene models were discovered with a mean transcript length of 2,954 bp and a mean coding sequence length 1,090 bp. Four transcript data samples of pomegranate tissues were mapped over the assembled {\textquoteleft}Bhagawa{\textquoteright} genome up to 95\% significant matches, indicating the high quality of the assembled genome. We have compared the {\textquoteleft}Bhagawa{\textquoteright} genome with the genomes of the pomegranate cultivars {\textquoteleft}Dabenzi{\textquoteright} and {\textquoteleft}Taishanhong.{\textquoteright} We have also performed whole-genome phylogenetic analysis using Computational Analysis of Gene Family Evolution (CAFE) and found that Eucalyptus grandis and pomegranate diverged 64 (60-70) million years ago. About 1,573 protein-coding resistance genes identified in the {\textquoteleft}Bhagawa{\textquoteright} genome were classified into 32 domains. In all, 314 copies of miRNA belonging to 26 different families were identified in the {\textquoteleft}Bhagawa{\textquoteright} genome. The reference-quality genome assembly of {\textquoteleft}Bhagawa{\textquoteright} is certainly a significant genomic resource for accelerated pomegranate improvement.

}, keywords = {genome sequencing, hybrid genome assembly, Long Terminal Repeats Assembly Index (LAI), PacBio, pomegranate}, issn = {1664-462X}, doi = {10.3389/fpls.2022.947164}, author = {Roopa Sowjanya, P. and Shilpa, Parashuram and Patil, Goudappa Prakash and Babu, Dhinesh Karuppannan and Sharma, Jyotsana and Sangnure, Vipul R. and Mundewadikar, Dhananjay M. and Natarajan, Purushothaman and Marathe, Arvind Rajiv and Reddy, Umesh K. and Singh, Vikram Nripendra} } @article {48058, title = {Regioselective synthesis of 1,4,5-trisubstituted 1,2,3-triazole derivatives from alpha,beta-unsaturated carbonyls}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JUL}, pages = {e202200317}, type = {Article}, abstract = {

The copper-catalyzed oxidative azide-olefin cycloaddition (OAOC) reaction of differently substituted alpha,beta-unsaturated carbonyls with azides provided an efficient method for preparing biologically active 1,4,5-trisubstituted 1,2,3-triazoles. In this study, the cycloaddition reaction was found to be a simple and powerful method for constructing diverse mono- and bis-(1,4,5-trisubstituted 1,2,3-triazole) functionalized heterocyclic compounds in moderate to high yields with great regioselectivity. The XRD-analysis data of one of the bis-triazole derivatives supported the regioselectivity as well as the conformity of the method in the construction of the triazole nucleus. The preliminary antifungal profile against C. albicans was observed with cinnamaldehyde-based triazole derivatives demonstrating promising results.

}, keywords = {alpha, antifungal, beta-Unsaturated carbonyls, Cycloaddition, Dibenzalacetone, Triazole}, issn = {1434-193X}, doi = {10.1002/ejoc.202200317}, author = {Verma, Naimish K. and Bera, Smritilekha and Gonnade, Rajesh and Mondal, Dhananjoy} } @article {48080, title = {Reusable and efficient polystyrene immobilized ionic liquid catalyst for batch and flow methylation of hydroquinone}, journal = {Catalysis Letters}, volume = {152}, year = {2022}, month = {NOV}, pages = {3304-3316}, type = {Article}, abstract = {

An environmentally benign process for synthesizing 4-methoxyphenol through methylation of hydroquinone using polystyrene immobilized Bronsted acidic ionic liquid is presented. The catalyst has been characterized by several techniques, such as solid-state NMR, FTIR, and XRD. The morphological properties were analyzed through SEM and TEM analysis. The elemental analysis was performed using EDS and XPS techniques. The catalyst was thermally stable up to 603 K, which was confirmed by TGA. The chemical interaction between ionic liquid and polystyrene was confirmed by measuring the glass transition temperature of pure polystyrene and catalyst. The BET analysis was performed to estimate the catalyst{\textquoteright}s surface area, pore size, and pore volume. The recyclability of the proposed new catalyst was established up to five recycle runs in the batch mode. In addition, continuous flow experiments were conducted to test the catalytic activity in terms of catalyst life span and showed excellent stability up to 20 h. The rapid separation, long-term stability, and efficient recycling of synthesized polymeric catalysts make an excellent alternative to the commonly used homogeneous catalysts for selective O-methylation of hydroquinone reaction. The newly developed continuous process for synthesizing 4-methoxyphenol with 100\% selectivity suggests good opportunities to reduce energy consumption, which designates a cost-effective process. [GRAPHICS] .

}, keywords = {4-Methoxyphenol, Hydroquinone, O-methylation, Polystyrene immobilized ionic liquid}, issn = {1011-372X}, doi = {10.1007/s10562-022-03918-3}, author = {Bhongale, V. Priyanka and Joshi, Sunil S. and Mali, Nilesh A.} } @article {48103, title = {Review on computational analysis of big data in breast cancer for predicting potential biomarkers}, journal = {Current Topics in Medicinal Chemistry}, volume = {22}, year = {2022}, month = {SEP}, pages = {1793-1810}, type = {Review}, abstract = {

Breast cancer is the most predominantly occurring cancer in the world. Several genes and proteins have been recently studied to predict biomarkers that enable early disease identification and monitor its recurrence. In the era of high-throughput technology, studies show several applications of big data for identifying potential biomarkers. The review aims to provide a comprehensive overview of big data analysis in breast cancer towards the prediction of biomarkers with emphasis on computational methods like text mining, network analysis, next-generation sequencing technology (NGS), machine learning (ML), deep learning (DL), and precision medicine. Integrating data from various computational approaches enables the stratification of cancer patients and the identification of molecular signatures in cancer and their subtypes. The computational methods and statistical analysis help expedite cancer prognosis and develop precision cancer medicine (PCM). As a part of case study in the present work, we constructed a large gene-drug interaction network to predict new biomarkers genes. The gene-drug network helped us to identify eight genes that could serve as novel potential biomarkers.

}, keywords = {Big data, Biomarkers, Breast cancer, Driver genes, Network analysis, text mining}, issn = {1568-0266}, doi = {10.2174/1568026622666220907121942}, author = {Shaikh, Nilofer and Bapat, Sanket and Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article {48102, title = {Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by using a well-defined mixed donor Mn(I) pincer catalyst}, journal = {Chemical Science}, volume = {13}, year = {2022}, month = {NOV }, pages = {13764-13773}, type = {Article}, abstract = {

Chemoselective hydrogenation of C=C, C=O and C=N bonds in alpha,beta-unsaturated ketones, aldehydes and imines is accomplished at room temperature (27 degrees C) using a well-defined Mn(I) catalyst and 5.0 bar H-2. Amongst the three mixed-donor Mn(I) complexes developed, kappa(3)-((PNNPyz)-P-R2-N-3)Mn(CO)(2)Br (R = Ph, Pr-i, Bu-t); the Bu-t -substituted complex ((PNNPyz)-P-tBu2-N-3)Mn(CO)(2)Br shows exceptional chemoselective catalytic reduction of unsaturated bonds. This hydrogenation protocol tolerates a range of highly susceptible functionalities, such as halides (-F, -Cl, -Br, and -I), alkoxy and hydroxy, including hydrogen-sensitive moieties like acetyl, nitrile, nitro, epoxide, and unconjugated alkenyl and alkynyl groups. Additionally, the disclosed method applies to indole, pyrrole, furan, thiophene, and pyridine-containing unsaturated ketones leading to the corresponding saturated ketones. The C=C bond is chemoselectively hydrogenated in alpha,beta-unsaturated ketones, while the aldehyde{\textquoteright}s C=O bond and imine{\textquoteright}s C=N bond are preferentially reduced over the C=C bond. A detailed mechanistic study highlighted the non-innocent behavior of the ligand in the ((PNNPyz)-P-tBu2-N-3) Mn(I) complex and indicated a metal-ligand cooperative catalytic pathway. The molecular hydrogen (H-2) acts as a hydride source, whereas MeOH provides a proton for hydrogenation. DFT energy calculations supported the facile progress of most catalytic steps, involving a crucial turnover-limiting H-2 activation.

}, issn = {2041-6520}, doi = {10.1039/d2sc05274a}, author = {Shabade, Anand B. and Sharma, Dipesh M. and Bajpai, Priyam and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {48219, title = {Scan-find-scan-model: discrete site-targeted suppressor design strategy for amyloid-beta}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {JUL}, pages = {2191-2208}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is undoubtedly the most well-studied ranks at the top in terms of getting attention from the scientific community for structural property-based characterization. Even after decades of extensive research, there is existing volatility in terms of understanding and hence the effective tackling procedures against the disease that arises due to the lack of knowledge of both specific targetand site-specific drugs. Here, we develop a multidimensional approach based on the characterization of the common static-dynamic-thermodynamic trait of the monomeric protein, which efficiently identifies a small target sequence that contains an inherent tendency to misfold and consequently aggregate. The robustness of the identification of the target sequence comes with an abundance of a priori knowledge about the length and sequence of the target and hence guides toward effective designing of the target-specific drug with a very low probability of bottleneck and failure. Based on the target sequence information, we further identified a specific mutant that showed the maximum potential to act as a destabilizer of the monomeric protein as well as enormous success as an aggregation suppressor. We eventually tested the drug efficacy by estimating the extent of modulation of binding affinity existing within the fibrillar form of the A beta protein due to a single-point mutation and hence provided a proof of concept of the entire protocol.

}, keywords = {configurational misfoldability, drug developability, inherent frustration, potential aggregability, sequence-based mutability, target specificity}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00272}, author = {Bhagavatula, Hasathi and Sarkar, Archishman and Santra, Binit and Das, Atanu} } @article {47830, title = {Selective electro-oxidation of phenol to 1,4-hydroquinone employing carbonaceous electrodes: surface modification is the key}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {JAN}, pages = {2518-2525}, type = {Article}, abstract = {The oxidation of phenol leading to 1,4-hydroquinone with high conversion, remarkable selectivity and an excellent yield (87\% isolated) has been accomplished under electrolytic conditions in an aqueous medium employing carbon-based electrodes. To achieve this, various factors such as electrode stability, repeatability, and the type of product formed by the electrochemical oxidation of phenol have been investigated using cyclic voltammetry first and then organic transformations under optimized conditions were accomplished by constant current electrolysis. The voltammetric data clearly show that electrochemically generated intermediates passivate the surface of the typically used electrodes, leading to a decrease in their activity, which is a major problem concerning the transformation of phenol electro-oxidation to an industrially adaptable process. In this work, it is established that such difficulties could be circumvented using surface modified carbonaceous electrodes having disordered graphene-like structures and oxygen functional groups. It is also demonstrated that surface modified reticulated vitreous carbon (RVC) based electrodes could be used for electro-oxidation of phenol at a reasonably large scale. The electrolysis conditions have been optimized based on the mechanistic understanding leading to remarkable conversion of phenol with 87\% selectivity to 1,4-hydroquinone.}, doi = {10.1039/D1NJ04640C}, url = {http://dx.doi.org/10.1039/D1NJ04640C}, author = {Baravkar, Mayur D. and Prasad, Bhagavatula L. V.} } @article {48178, title = {{\textquoteleft}Self-activating{\textquoteright} Bi3TaO7-Bi4TaO8Br photocatalyst and its use in the sustainable production of pro-fluorophoric rhodamine-110}, journal = {Green Chemistry}, volume = {24}, year = {2022}, month = {JUL}, pages = {5514-5523}, type = {Article}, abstract = {

We counter two common notions that (i) photocatalysts are likely to degrade during use with barely any strategy to counter it and (ii) rhodamine-B (RhB) photo-degradation lacks any useful or commercial prospects even after 53 years of its discovery by developing a photocatalyst that continues to improve its activity for similar to 300 h due to a leaching induced {\textquoteleft}self-activation{\textquoteright} process. Rhodamine-110 (Rh110) is a widely used pro-fluorophore in biological studies. However, its commercial production is highly challenging due to the formation of various side-products originating from the presence of the two labile amino side-groups that induce the pro-fluorophore activity, leading to purification difficulties, low yield, and unusually high costs. Herein, we demonstrate a facile strategy to produce pure Rh110 using extremely inexpensive RhB and Bi3TaO7-Bi4TaO8Br heterostructures as a catalyst in sunlight. The catalyst is not just stable over 30 catalytic cycles but also gets activated continuously in successive cycles to produce a reaction yield as high as 88\%. The role of the heterostructure, the origin of surface activation, and the RhB -\> Rh110 transformation mechanism have been established. Based on 150 days of sunlight experiments, large-scale production prospects (similar to 4000 times scale-up) and isolation of Rh110 have also been realized, paving a novel way for its production by anyone, inexpensive biological essaying, and device fabrication. Continuously improving catalysts are unknown and compensatory leaching of metal atoms from the catalyst surface may pave the way to realize them.

}, issn = {1463-9262}, doi = {10.1039/d2gc01574a}, author = {Banoo, Maqsuma and Chatterjee, Kaustav and Mondal, Sanjit and Vinod, C. P. and Gautam, Ujjal K.} } @article {48232, title = {Single-step synthesis of exfoliated Ti3C2Tx MXene through NaBF4/HCl etching as electrode material for asymmetric supercapacitor}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAY}, pages = {e202201166}, type = {Article}, abstract = {

Two-dimensional Ti3C2Tx MXene, derived from the parent Ti3AlC2 phase, is considered a promising electrode material for electrochemical energy storage applications. Ti3C2Tx MXene synthesis methods often employ concentrated hydrofluoric acid (HF), which is harsh, corrosive, and hazardous to the environment. Herein, we report the preparation of Ti3C2Tx MXene following a new synthetic route under a mild reaction condition comprising an aqueous solution of NaBF4 and HCl. This etching environment at a moderate temperature of 130 degrees C effectively removes the Al layer of the Ti3AlC2 precursor, assisted by the in situ formed HF in the reaction medium. Electron microscopy images of the as-prepared Ti3C2Tx (MX-130) reveal a partially exfoliated nanosheet-like morphology. The material displays a specific capacitance of 262 F g(-1) (three-electrode assembly, 1 A g(-1), -0.85 to -0.25 V vs. Hg/Hg2SO4) in 1 M H2SO4 electrolyte. The achieved specific capacitance is superior to that of Ti3C2Tx prepared via the common HF-treatment (25 F g(-1)). Additionally, the potential application of the optimized MXene as a negative electrode material is demonstrated in a quasi-solid-state RuO2|MX-130 asymmetric supercapacitor device.

}, keywords = {asymmetric supercapacitor, Electrochemistry, Fluoride salt etchant, Layered electrode materials, Transition metal carbides}, issn = {2365-6549}, doi = {10.1002/slct.202201166}, author = {Ghosh, Meena and Szunerits, Sabine and Cao, Ning and Kurungot, Sreekumar and Boukherroub, Rabah} } @article {48126, title = {Six-membered saturated NHC-stabilized borenium cations: isolation of a cationic analogue of borinic acid}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {12991-12997}, type = {Article}, abstract = {

The reaction of six-membered saturated NHC [1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene; henceforth abbreviated as 6-SIDipp] with PhBCl2 yields a Lewis base adduct, 6-SIDipp.PhBCl2 (1), which readily undergoes nucleophilic substitution reaction with AgNO3, leading to the single (2) and double (3) substitution of both chlorides with ONO2 moieties at the boron atom. The reaction of 1 with 1 equiv of AlCl3 resulted in a borenium cation of composition [6-SIDipp.B(Ph)Cl]+ (4) with AlCl4- as the counteranion. Although borenium cations with different substituents on boron have been reported, a structurally characterized phenylchloroborenium cation remains unknown. Similarly, the reaction of 1 with triflic acid provides the first representative of a new class of borenium cations bearing one hydroxyl and one phenyl group on boron (5), a cationic analogue of borinic acid. Ph-BN H Diphenylborinic acid

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00611}, author = {Kundu, Gargi and Balayan, Kajal and Tothadi, Srinu and Sen, Sakya S.} } @article {48234, title = {SNP discovery and structural insights into OeFAD2 unravelling high oleic/linoleic ratio in olive oil}, journal = {Computational and Structural Biotechnology Journal}, volume = {20}, year = {2022}, month = {JUL}, pages = {1229-1243}, type = {Article}, abstract = {

Fatty Acid Desaturase 2 (FAD2), a key enzyme in the fatty acid biosynthesis pathway, is involved in the desaturation and conversion of oleic acid to linoleic acid. Therefore, it plays a crucial role in oleic/linoleic acid ratio and the quality of olive oil. DNA sequencing of 19 FAD2 genes from a set of olive oil varieties revealed several single-nucleotide polymorphisms (SNPs) and highlighted associations between some of the SNPs and saturated fatty acids contents. This was further confirmed by SNP-interaction and machine learning approach. Haplotype diversity analysis led to the discovery of three highly polymorphic SNPs and four haplotypes harboring differential oleic/linoleic acid ratios. Moreover, a combination of molecular modeling and docking experiments allowed a deeper and better understanding of the structure-function relationship of the FAD2 enzyme. Sequence patterns and variations involved in the regulation of the FAD2 activity were also identified. Furthermore, S82C and H213N substitutions in OeFAD2 make the Oueslati variety more interesting in terms of fatty acid profile and oleic acid level. (C) 2022 The Authors. Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology.

}, keywords = {docking, Fatty acid desaturase, Haplotype, machine learning, Oleic/linoleic acid ratio, Protein structure}, issn = {2001-0370}, doi = {10.1016/j.csbj.2022.02.028}, author = {Ben Ayed, Rayda and Moreau, Fabienne and Ben Hlima, Hajer and Rebai, Ahmed and Ercisli, Sezai and Kadoo, Narendra and Hanana, Mohsen and Assouguem, Amine and Ullah, Riaz and Ali, Essam A.} } @article {47996, title = {Solvent-assisted cavitation for enhanced removal of organic pollutants - degradation of 4-aminophenol}, journal = {Journal of Environmental Management}, volume = {311}, year = {2022}, month = {JUN }, pages = {114857}, type = {Article}, abstract = {

A new approach of solvent-assisted cavitation process was proposed for degradation of organic pollutants. The process envisages the use of suitable solvent as an additive, (1-5\% v/V), in the conventional cavitation process to enhance the pollutant removal efficiency. A proof of concept was provided for the removal of ammoniacal nitrogen with significantly improved efficiency using solvent-assisted hydrodynamic cavitation (HC) compared to conventional HC. The efficacy of the process was studied on a pilot plant scale (1 m(3)/h) and using vortex flow based vortex diode as a cavitating device. Degradation studies were carried out using a model pollutant, 4-amino phenol and four different solvents as additives, 1-octanol, cyclohexanol, 1-octane and toluene. Relatively polar solvents were found to increase the efficiency of the pollutant removal (\> 65\%) and also increase the rates to an extent of more than 200\%, compared to only HC. A very high removal of ammoniacal nitrogen, more than 90\%, was obtained for solvents 1-octanol and cyclohexanol, indicating the importance of the selection of solvent. Per pass degradation model showed 3 to 4 times increase in the per pass degradation for polar solvents compared to cavitation alone. The results confirm no role of conventional solvent extraction and no specific contamination of wastewater due to the use of solvent as an additive in the process. Further, the cost was 2-3 times lower as compared to the conventional HC. The interesting observations in the proposed process can fuel further research to provide possible improvements in existing methodologies of wastewater treatment, in general, and for removal of ammoniacal nitrogen, in particular.

}, keywords = {Ammoniacal nitrogen, Hydrodynamic cavitation, Oxidation, Pollution Control, Wastewater treatment}, issn = {0301-4797}, doi = {10.1016/j.jenvman.2022.114857}, author = {Patil, Pravin B. and Bhandari, Vinay M.} } @article {48223, title = {Stacking herbicide detoxification and resistant genes improves glyphosate tolerance and reduces phytotoxicity in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.)}, journal = {Plant Physiology and Biochemistry}, volume = {189}, year = {2022}, month = {OCT}, pages = {126-138}, type = {Article}, abstract = {

Glyphosate residues retained in the growing meristematic tissues or in grains of glyphosate-resistant crops affect the plants physiological functions and crop yield. Removing glyphosate residues in the plants is desirable with no penalty on crop yield and quality. We report a new combination of scientific strategy to detoxify glyphosate that reduces the residual levels and improve crop resistance. The glyphosate detoxifying enzymes Aldo-keto reductase (AKR1) and mutated glycine oxidase (mGO) with different modes of action were co-expressed with modified EPSPS, which is insensitive to glyphosate in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.). The transgenic tobacco plants expressing individual PsAKR1, mGO, CP4-EPSPS, combinations of PsAKR1:CP4EPSPS, PsAKR1:mGO, and multigene with PsAKR1: mGO: CP4EPSPS genes were developed. The bio-efficacy studies of in-vitro leaf regeneration on different concentrations of glyphosate, seedling bioassay, and spray on transgenic tobacco plants demonstrate that glyphosate detoxification with enhanced resistance. Comparative analysis of the transgenic tobacco plants reveals that double and multigene expressing transgenics had reduced accumulation of shikimic acid, glyphosate, and its primary residue AMPA, and increased levels of sarcosine were observed in all PsAKR1 expressing transgenics. The multigene expressing rice transgenics showed improved glyphosate resis-tance with yield maintenance. In summary, results suggest that stacking genes with two different detoxification mechanisms and insensitive EPSPS is a potential approach for developing glyphosate-resistant plants with less residual content.

}, keywords = {Detoxification, Gene stacking, Glyphosate, Herbicide, Multigene, Residual toxicity, Resistant, rice, Tobacco, Transgenics}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2022.08.025}, author = {Vennapusa, Amaranatha Reddy and Agarwal, Subham and Hm, Hanumanth Rao and Aarthy, Thiagarayaselvam and Babitha, K. C. and Thulasiram, V. Hirekodathakallu and Kulkarni, Mahesh J. and Melmaiee, Kalpalatha and Sudhakar, Chinta and Udayakumar, M. and Vemanna, Ramu S.} } @article {47757, title = {Steroidal alkaloids defence metabolism and plant growth are modulated by the joint action of gibberellin and jasmonate signalling}, journal = {New Phytologist}, volume = {233}, year = {2022}, month = {FEB}, pages = {1220-1237}, type = {Article}, abstract = {Steroidal glycoalkaloids (SGAs) are protective metabolites constitutively produced by Solanaceae species. Genes and enzymes generating the vast structural diversity of SGAs have been largely identified. Yet, mechanisms of hormone pathways coordinating defence (jasmonate; JA) and growth (gibberellin; GA) controlling SGAs metabolism remain unclear. We used tomato to decipher the hormonal regulation of SGAs metabolism during growth vs defence tradeoff. This was performed by genetic and biochemical characterisation of different JA and GA pathways components, coupled with in vitro experiments to elucidate the crosstalk between these hormone pathways mediating SGAs metabolism. We discovered that reduced active JA results in decreased SGA production, while low levels of GA or its receptor led to elevated SGA accumulation. We showed that MYC1 and MYC2 transcription factors mediate the JA/GA crosstalk by transcriptional activation of SGA biosynthesis and GA catabolism genes. Furthermore, MYC1 and MYC2 transcriptionally regulate the GA signalling suppressor DELLA that by itself interferes in JA-mediated SGA control by modulating MYC activity through protein-protein interaction. Chemical and fungal pathogen treatments reinforced the concept of JA/GA crosstalk during SGA metabolism. These findings revealed the mechanism of JA/GA interplay in SGA biosynthesis to balance the cost of chemical defence with growth.}, keywords = {alpha-tomatine, defence, gibberellin (GA), growth, jasmonate (JA), steroidal glycoalkaloids (SGAs), Tomato}, issn = {0028-646X}, doi = {10.1111/nph.17845}, author = {Panda, Sayantan and Jozwiak, Adam and Sonawane, Prashant D. and Szymanski, Jedrzej and Kazachkova, Yana and Vainer, Andrii and Kilambi, Himabindu Vasuki and Almekias-Siegl, Efrat and Dikaya, Varvara and Bocobza, Samuel and Shohat, Hagai and Meir, Sagit and Wizler, Guy and Giri, Ashok P. and Schuurink, Robert and Weiss, David and Yasuor, Hagai and Kamble, Avinash and Aharoni, Asaph} } @article {48098, title = {Strain-enhanced phase transformation of iron oxide for higher alcohol production from CO2}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {SEP}, pages = {11118-11128}, type = {Article}, abstract = {

Conversion of CO2 to higher alcohols (HAs) and higher hydrocarbons (HCs) has a greater advantage compared to C1 products because of their high energy density and wide range of applications in daily life. Despite the immense potential of these chemicals, not much of scientific research has been focused on the conversion of CO2 to HAs. In the present work, we have introduced the concept of strain in designing the material to enhance the CO(2 )to HA performance. We introduced strain in a traditional iron-based catalyst, Fe2O3, by the introduction of indium (In), which facilitates the selective conversion of CO2 to HA. An optimum strain favored a 36.7\% CO2 conversion with a 42\% HA selectivity, and a record yield of 15.42\%. The strain has been tuned further with the introduction of K as a promoter. The introduced strain upon In substitution and K promotion favored the conversion of CO2, which is mapped by powder X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy. Further, the change in the mechanism upon In incorporation and K promotion has been probed by in situ diffuse reflectance infrared fourier transform spectroscopy, and it is found that the OCHx intermediate, which produces HAs, is more prominent upon In substitution, which favored the enhancement of HA production compared to that of pristine Fe2O3.

}, keywords = {CO2 to HA, Fischer-Tropsch synthesis (FTS), Phase transformation, reverse water gas shift (RWGS) reaction, strain}, issn = {2155-5435}, doi = {10.1021/acscatal.2c0318311118}, author = {Goud, Devender and Churipard, Sathyapal R. and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Vinod, C. P. and Peter, Sebastian C.} } @article {48088, title = {Structure-tailored surface oxide on Cu-Ga intermetallics enhances CO2 reduction selectivity to methanol at ultralow potential}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {MAY}, pages = {2109426}, type = {Article}, abstract = {

Electrochemical CO2 reduction reaction (eCO(2)RR) is performed on two intermetallic compounds formed by copper and gallium metals (CuGa2 and Cu9Ga4). Among them, CuGa2 selectively converts CO2 to methanol with remarkable Faradaic efficiency of 77.26\% at an extremely low potential of -0.3 V vs RHE. The high performance of CuGa2 compared to Cu9Ga4 is driven by its unique 2D structure, which retains surface and subsurface oxide species (Ga2O3) even in the reduction atmosphere. The Ga2O3 species is mapped by X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) techniques and electrochemical measurements. The eCO(2)RR selectivity to methanol are decreased at higher potential due to the lattice expansion caused by the reduction of the Ga2O3, which is probed by in situ XAFS, quasi in situ powder X-ray diffraction, and ex situ XPS measurements. The mechanism of the formation of methanol is visualized by in situ infrared (IR) spectroscopy and the source of the carbon of methanol at the molecular level is confirmed from the isotope-labeling experiments in presence of (CO2)-C-13. Finally, to minimize the mass transport limitations and improve the overall eCO(2)RR performance, a poly(tetrafluoroethylene)-based gas diffusion electrode is used in the flow cell configuration.

}, keywords = {(2) reduction, CO, Electrochemistry, Methanol}, issn = {0935-9648}, doi = {10.1002/adma.202109426}, author = {Bagchi, Debabrata and Raj, Jithu and Singh, Ashutosh Kumar and Cherevotan, Arjun and Roy, Soumyabrata and Manoj, Kaja Sai and Vinod, C. P. and Peter, Sebastian C.} } @article {48060, title = {Studies in instant water disinfection using natural oils}, journal = {Biochemical Engineering Journal}, volume = {187}, year = {2022}, month = {NOV}, pages = {108631}, type = {Article}, abstract = {

The present research reveals an instant and simple process for drinking water treatment by employing specific natural oils having antimicrobial properties to ensure complete elimination of harmful bacteria. The disinfection was studied for two different model bacteria, Gram-negative E. coli and Gram-positive, S. aureus. Seven natural oils, ajwain, thyme, oregano, peppermint, harsingar, cinnamon leaf and black pepper oil were evaluated and were found to yield 100\% water disinfection within 1 min except for harsingar and black pepper oil. The process was also effective for the instant and 100\% disinfection of real well water. The methodology for altering zeta potential, to an extent of 130\%, for instant disinfection in drinking water treatment helps in selecting natural oils. Molecular docking studies indicated natural oils action as potential inhibitors of bacterial DNA gyrase. The studies indicate one of the lowest operating costs comparable to conventional chlorination. The simple meth-odology not requiring complex equipment has the potential to provide many options for implementations-from portability, household application to large scale water treatment plants.

}, keywords = {Bacteria removal, Natural oil, Technology, Water treatment, Zeta potential}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108631}, author = {Dixit, Divya and Bhandari, Vinay M. and Mane, Maya B. and Balapure, Kshama} } @article {48430, title = {Suitability of different supported Ru, Pt and Ni catalysts for the hydrogenolysis of sorbitol}, journal = {Results in Engineering}, volume = {15}, year = {2022}, month = {SEP}, pages = {100594}, type = {Article}, abstract = {

In this article, the results of sorbitol\ hydrogenolysis\ (15\% aq. solution), done in an autoclave reactor, over Ru, Pt and Ni loaded on SBA15, carbon coated SBA15 (SBA15C), activated carbon (AcC), Na{\textendash}Y, Fly Ash (FA) and hydroxyapatite (HAP) catalysts by our group, were compared to find the best metal-support combinations. The metal loading was 1\ wt\% for Ru and Pt, 6\ wt\% for Ni and the catalysts{\textquoteright} preparations were carried out by impregnation of respective salts. The catalysts were characterized with nitrogen and hydrogen adsorption measurements and X-ray diffraction. Addition of a base (Calcium hydroxide) to the reactants{\textquoteright} mixture increased the overall conversion and selectivities of the glycols, ethylene glycol (EG) and 1,2-propylene glycol (PG). The catalysts{\textquoteright} performance at 60\ bar and 220\ {\textdegree}C with the presence of base (B), evaluated by the yield of glycols (PG\ +\ EG), showed the following order:

Ni/Na{\textendash}Y\ \>\ Ru/AcC\ \~{}\ Ru/SBA15C\ \>\ Ni/HAP\ \~{}\ Ru/SBA15\ \>\ Ni/SBA15\ \>\ Ru/Na{\textendash}Y\ \>\ Ni/FA\ \~{}\ Ni/AcC and the yields were 57, 40, 39, 33, 31, 29, 26, 22 and 21\ wt\%, respectively.

Na{\textendash}Y appeared to be the best support, especially for Ni metal; AcC and SBA15C were good supports for Ru and Pt respectively.\ Reusability\ studies revealed that Ni on HAP was the best catalyst and exhibited only a small deactivation during four runs of loading it.

}, doi = {10.1016/j.rineng.2022.100594}, author = {Kandasamy, Thirunavukkarasu and Banu, Marimuthu and Shanthi, R. Vijaya and Sivasanker, S.} } @article {48380, title = {Sulfur functionalization via epoxide ring opening on a reduced graphene oxide surface to form metal (II) Organo-bis-[1,2]-oxathiin}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {JAN}, pages = {279-286}, type = {Article}, abstract = {

The epoxide ring-opening reaction in graphene oxide (GO) by nucleophiles is a very fascinating and advanced methodology to develop novel functional material. Herewith, we report an advanced strategy for opening the epoxide ring on the rGO surface via easily an available nucleophile (Na2S), which is further functionalized with O atom to obtain four-membered rings (FMRs). The Cd coordination with the S atom puts extra stress on the FMR leading to the C-C bond cleavage of the four-membered heteroatomic rings on the rGO surface. This strategic approach leads to the fabrication of an innovative metal organo-bis-[1,2]-oxathiin (MOBOT) chemical moiety (M = Cd, Zn). The MOBOT compound further shows enhanced H-2 generation activity and hence is promising as a potential photocatalyst for solar hydrogen generation. This compound might also be a potential candidate for optoelectronic applications.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.1c02819}, author = {Kumar, Praveen and Bajpai, Himanshu and Gopinath, Chinnakonda S. and Luwang, Meitram Niraj} } @article {48106, title = {Superior processability of Antheraea mylitta silk with cryo-milling: performance in bone tissue regeneration}, journal = {International Journal of Biological Macromolecules}, volume = {213}, year = {2022}, month = {JUL}, pages = {155-165}, type = {Article}, abstract = {

Non-mulberry silk polymers have a promising future in biomedical applications. However, the dissolution of nonmulberry silk fiber is a still challenge and this poor processability has limited the use of this material. Here, we report a unique protocol to process the Antheraea mylitta (AM) silk fiber. We have shown that the cryo-milling of silk fiber reduces the beta sheet content by more than 10\% and results in an SF powder that completely dissolves in routine solvents like trifluoroacetic acid (TFA) within few hours to form highly concentrated solutions (\~20 wt \%). Further, these solutions can be processed using conventional processing techniques such as electrospinning to form 3D scaffolds. Bombyx mori (BM) silk was used as a control sample in the study. In-vitro studies were also performed to monitor cell adhesion and proliferation and hMSCs differentiation into osteogenic lineage. Finally, the osteogenic potential of the scaffolds was also evaluated by a 4-week implantation study in rat calvarial model. The in-vitro and in-vivo results show that the processing techniques do not affect the biocompatibility of the material and the AM scaffolds support bone regeneration. Our results, thus, show that cryo-milling facilitates enhanced processability of non-mulberry silk and therefore expands its potential in biomedical applications.

}, keywords = {Bone tissue engineering, Calvarial defect, hMSCs, Non-mulberry silk fiber, Processing technique}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.05.122}, author = {Parekh, Nimisha and Bijosh, C. K. and Kane, Kartiki and Panicker, Alaka and Nisal, Anuya and Wangikar, Pralhad and Agawane, Sachin} } @article {48158, title = {Sustainable fabrication of copper nanoparticles: a potent and affordable candidate for water treatment, water disinfection, antioxidant activity and theranostic agent}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {APR}, pages = {e202103552}, type = {Article}, abstract = {

This study reports a simple, green, and large-scale biosynthetic fabrication of spherical copper nanoparticles (Cu NPs), approximate 28 nm, using the aqueous extracts of Diaplazium esulentum (Retz.) Sw. fern. Characterization was carried out for morphology, size, elemental analysis, crystallinity and for identification of functionalities responsible for reduction and stabilization. Extraordinary remediation efficiency was obtained for the developed Cu NPs for the elimination of two industrially important pollutants; Methyl Violet 6B and Methylene Blue (greater than 92 \% within 150 mins). A mechanism was postulated for the process using the data on the identification of NPs and also spent NPs apart from degraded products. Furthermore, the Cu NPs revealed excellent antibacterial activity against gram positive bacteria: Staphylococcus aureus, Streptococcus pneumonia and Bacillus subtilis, as well as gram negative bacteria: Pseudomonas aeruginosa, Escherichia coli and potential action against fungal strains; Aspergillus niger and Candida albicans. Additionally, the assay depicted that Cu NPs has fairly decent radical scavenging activity with IC50 value 2.11 mM. Moreover, the Cu NPs were found to exhibit profound anticancerous activity against two human cancer line cells. The present research work has implications for exploitation of DE fern extract for the development of Cu NPs and their numerous applications ranging from pollutants removal to antibacterial, antifungal, antioxidant and anticancerous agents.

}, keywords = {Anticancer, antifungal, Antimicrobial, Antioxidant, Photodegradation and Phytosynthesis}, issn = {2365-6549}, doi = {10.1002/slct.202103552}, author = {Sinha, Tanur and Adhikari, Partha Pradip and Bhandari, Vinay M.} } @article {48183, title = {Synergistic electronic effects in AuCo nanoparticles stabilized in a triazine-based covalent organic framework: a catalyst for methyl orange and methylene blue reduction}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {APR }, pages = {4744-4753}, type = {Article}, abstract = {

Developing stable active catalysts for reducing water-soluble pollutants is a desirable target. In this pursuit, we have functionalized covalent organic frameworks (COFs) with gold (Au) and cobalt (Co) nanoparticles via a one-step aqueous synthesis process, and their catalytic activity in reducing methyl orange and methylene blue is examined. Operando absorbance measurements of methyl orange (anionic dye) reduction revealed AuCoCOF (1.3 Au/1.0 Co) to have superior kinetics over many other catalysts, which typically require additional external stimuli (e.g., photons) and higher catalyst loadings. After confirming the homogeneous dispersion of the nanoparticles on the COF support using three-dimensional (3D) tomography and material stability through powder X-ray diffraction (PXRD), infrared (IR), and thermal studies, we investigated their redox activity. Cyclic voltammetry (CV) confirmed the involvement of both metals in the redox process, while spectroelectrochemical measurements show that their activity and kinetics remain unaltered by an applied potential. Solid-state UV measurements reveal that the neat COF is a semiconductor with a large band gap (2.8 eV), which is substantially lowered when loaded with cobalt nanoparticles (2.2 eV for CoCOF). The electronic synergy between Au and Co nanoparticles further reduces the band gap of AuCoCOF (1.9 eV). Thus, there is a definite advantage in doping non-noble metal nanoparticles into a noble metal lattice and nanoconfining them into a porous COF support. Our study highlights the significance of bimetallic COF-supported nanocatalysts, wherein one can engage each component toward targeted applications that demand redox activity with favorable kinetics.

}, keywords = {AuCoCOF, band gaps, Covalent organic framework, methyl orange reduction, Nanoparticles, UV-vis spectroscopy}, doi = {10.1021/acsanm.1c04212}, author = {Devulapalli, Venkata Swaroopa Datta and Kushwaha, Rinku and Ovalle, Edwin and Singh, Himan Dev and Shekhar, Pragalbh and Chakraborty, Debanjan and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan and Borguet, Eric} } @article {48165, title = {Synthesis and antimycobacterial screening of a novel series of alpha-amino acids containing thiazole linker}, journal = {ARKIVOC}, year = {2022}, type = {Article}, abstract = {

A small focused library of uncommon (S)-2-amino-3-(4-(((4-methyl-2-arylthiazol-5-yl)methyl)amino)phenyl) propanoic acid (5a-e) and (S)-2-amino-3-(4-(((2-arylthiazol-4-yl)methyl)amino)phenyl)propanoic acid (9a-d) derivatives have been efficiently synthesized by employing molecular simplification. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis (BCG) strains. The cytotoxicity study was conducted against primary Human Umbilical Vein Endothelial Cells (HUVECs), on two different human tumor cells HeLa, and HCT 116 and was observed non-toxic to host cells.

}, keywords = {Amino acid, antibacterial activity, Cytotoxicity, Mycobacterium tuberculosis, synthesis, Thiazole}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p011.831}, author = {Nalawade, Jitendra L. and Mhaske, Pravin C. and Shinde, Abhijit D. and Chavan, Abhijit P. and Abhale, Yogita K. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {48136, title = {Synthesis, characterization and single crystal x-ray structures of trifluroacetylacetonate copper(ii) complexes}, journal = {Journal of Chemical Crystallography}, volume = {52}, year = {2022}, month = {DEC}, pages = {525-533}, type = {Article}, abstract = {

{Three Cu(II) complexes of 1,1,1-trifluoroacetylacetonate, viz. [Cu(TFACAC)(2)(MeOH)] (1), [Cu(TFACAC)(2)(py)] (2) and [Cu(TFACAC)(2)(DABCO)] (3) were synthesized and characterized by elemental analysis, IR, UV-Visible spectroscopy and cyclic voltammetry. Structures of complexes 1-3 were established by single crystal X-ray diffraction wherein 1 and 2 adapt square pyramidal geometry. Complex 1 crystallizes in triclinic space group P-(1), with a = 8.5059(6) angstrom

}, keywords = {Copper(II) complexes, crystal structure, cyclic voltammetry, DABCO, Pyridine, Trifluoroacetylacetone}, issn = {1074-1542}, doi = {10.1007/s10870-022-00937-1}, author = {Kumari, Neha and Bahadur, Vir and Butcher, Raymond J. and Kumbhar, Anupa A.} } @article {46623, title = {Synthesis of new thiazole and pyrazole clubbed 1,2,3-triazol derivatives as potential antimycobacterial and antibacterial agents}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {JUL}, pages = {3216-3237}, type = {Article}, abstract = {

New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl )-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1,2,3-triazole (6a-t) and bis-pyrazolyl-1,2,3-triazole (11a-o) derivatives were screened for in vitro antimycobacterial activity against M. Tuberculosis H37Ra dormant and active and antibacterial activity against four pathogenic bacteria, E. coli (NCIM 2576), P. flurescence (NCIM 2059), S. aureus (NCIM 2602) and B. subtilis (NCIM 2162). Compounds 6a, 6f, 6j, 11e and 11m showed good activity against M tuberculosis H37Ra Active strain, also compounds 6g, 6h, 11f, 11n and 11o showed good activity against M tuberculosis H37Ra Dormant strain. Compounds 6b, 6i, 6l, 6o, 6r, 11k, 11l and 11m showed good activity against B. subtilis with IC50 1.99-2.96 mu g/mL. The antibacterial activity of thiazolyl-pyrazolyl-1,2,3-triazole and bis-pyrazolyl-1,2,3-triazole derivatives suggested that, these derivatives could lead to new compounds for treatment against bacterial infection.

}, keywords = {123-Triazole, antibacterial activity, antimycobacterial activity, Pyrazole, Thiazole}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1857272}, author = {Jagadale, Shivaji M. and Abhale, Yogita K. and Pawar, Hari R. and Shinde, Abhijit and Bobade, Vivek D. and Chavan, Abhijit P. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {48151, title = {Tailored synthesis of ultra-stable Au@Pd nanoflowers with enhanced catalytic properties using cellulose nanocrystals}, journal = {Carbohydrate Polymers}, volume = {292}, year = {2022}, month = {SEP}, pages = {119723}, type = {Article}, abstract = {

A green strategy for the synthesis of bimetallic core-shell Au@Pd nanoflowers (NFs) employing banana pseudostem-derived TEMPO-oxidized cellulose nanocrystals (TCNC) as both capping and shape-directing agent via seed-mediated method is presented. Flower-like nanostructures of Au@Pd bound to TEMPO-oxidized cellulose nanocrystals (TCNC-Au@Pd) were decorated on amino-functionalized graphene (NH2-RGO) without losing their unique structure, allowing them to be deployed as an efficient, reusable and a green alternative heterogeneous catalyst. The decisive role of TCNC in the structural metamorphosis of nanoparticle morphology were inferred from the structural and morphology analyses. According to our study, the presence of -OH rich TCNC appears to play a pivotal role in the structured evolution of intricate nanostructure morphology. The feasibility of the bio-supported catalyst has been investigated in two concurrently prevalent model catalytic reactions, namely the oxygen reduction reaction (ORR) and the reduction of 4-nitrophenol, the best model reactions in fuel cell and industrial catalytic applications, respectively.

}, keywords = {Au@Pd, catalysis, Cellulose nanocrystals, Nanoflowers, oxygen reduction reaction}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119723}, author = {Hakkeem, Hasna M. Abdul and Babu, Aswathy and Shilpa, Nagaraju and Venugopal, Adithya A. and Mohamed, A. P. and Kurungot, Sreekumar and Pillai, Saju} } @article {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 {47771, title = {Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: a comparative study using two different methods of entropy calculation}, journal = {Journal of Chemical Physics}, volume = {156}, year = {2022}, month = {JAN }, pages = {014503}, type = {Article}, abstract = {A recent study introduced a novel mean-field model system where each particle over and above the interaction with its regular neighbors interacts with k extra pseudo-neighbors. Here, we present an extensive study of thermodynamics and its correlation with the dynamics of this system. We surprisingly find that the well-known thermodynamic integration (TI) method of calculating the entropy provides unphysical results. It predicts vanishing of the configurational entropy at temperatures close to the onset temperature of the system and negative values of the configurational entropy at lower temperatures. Interestingly, well below the temperature at which the configurational entropy vanishes, both the collective and the single-particle dynamics of the system show complete relaxation. Negative values of the configurational entropy are unphysical, and complete relaxation when the configurational entropy is zero violates the prediction of the random first-order transition theory (RFOT). However, the entropy calculated using the two-phase thermodynamics (2PT) method remains positive at all temperatures for which we can equilibrate the system, and its values are consistent with RFOT predictions. We find that with an increase in k, the difference in the entropy computed using the two methods increases. A similar effect is also observed for a system where a randomly selected fraction of the particles are pinned in their positions in the equilibrated liquid. We show that the difference in entropy calculated via the 2PT and TI methods increases with pinning density.}, issn = {0021-9606}, doi = {10.1063/5.0065668}, author = {Nandi, Ujjwal Kumar and Patel, Palak and Moid, Mohd and Nandi, Manoj Kumar and Sengupta, Shiladitya and Karmakar, Smarajit and Maiti, Prabal K. and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {47896, title = {Transition metal- and oxidant-free regioselective synthesis of 3,4,5-trisubstituted pyrazoles by means of [3+2] cycloaddition reactions}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAR}, pages = {e202200605}, type = {Article}, abstract = {

A highly efficient regioselective synthesis of 3,4,5-trisubstituted pyrazoles via transition metal- and oxidant-free, three component [3+2] cycloaddition with thiazolidinedione chalcones, benzaldehydes and N-tosylhydrazine is described. The reaction proceeds through C-C and C-N bond formations under mild reaction conditions to produce structurally diverse polysubstituted pyrazoles in moderate to good yields.

}, keywords = {3, 4, 5-trisubstituted pyrazoles, Cycloaddition, Multicomponent reaction, Oxidant free, Regioselectivity, Transition metal free}, issn = {2365-6549}, doi = {10.1002/slct.202200605}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Gamidi, Rama Krishna} } @article {48181, title = {Tuning the hybridization and charge polarization in metal nanoparticles dispersed over Schiff base functionalized SBA-15 enhances CO2 capture and conversion to formic acid}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {SEP}, pages = {18354-18362}, type = {Article}, abstract = {

Different Schiff base functionalized SBA-15 materials were synthesized through condensation reactions between 3-aminopropyltriethoxysilane (APTES) and different aldehydes (glutaraldehyde and butyraldehyde) over a mesoporous silica, SBA-15 (APTES-GLU/SBA-15 and APTES-BUT/SBA-15). Both static and dynamic experiments have been used for testing the CO2 capture efficiency of these materials. The hybridization of the N atom in APTES has been tuned from sp(3) to sp(2) upon condensation facilitating optimum CO2 capture in the direct synthesis of APTES-GLU/SBA-15. The undesirable oxides of nitrogen have been removed during the synthesis process to improve the CO2 capture efficiency. These materials were employed as supports for Pd-Ag and Pd-Ni bimetallic systems for the selective conversion of the captured CO2 to formic acid (FA) in 0.5 M KHCO3 solution. The Pd-Ni catalyst system exhibited enhanced CO2 to FA conversion activity compared to other heterogeneous systems, which is similar to 4 times better than that of the Pd-Ag system in this study. The X-ray absorption studies over the catalyst material confirmed that the relatively electron-deficient Ni in Pd-Ni compared to Ag in Pd-Ag favoured higher charge polarization between the metals in the Pd-Ni system enhancing the CO2 to FA conversion. The experimental observations are well supported by the DFT calculations.

}, issn = {2050-7488}, doi = {10.1039/d2ta03690h}, author = {Cherevotan, Arjun and Ray, Bitan and Yadav, Anish and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Churipard, Sathyapal R. and Naral, Vinay and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48413, title = {Ultrahigh capacitance of NiCo2O4/CeO2 mixed metal oxide material for supercapacitor applications}, journal = {Journal of Alloys and Compounds}, volume = {899}, year = {2022}, month = {APR}, pages = {163312}, type = {Article}, abstract = {

Pertaining to research on energy consumption and energy storage systems, new and efficient mixed metal oxides of NiCo2O4/CeO2 as pseudo-capacitor materials have been successfully prepared by sol-gel combustion method. The synthesized unique spinel nanomaterials have been analyzed for structural and morphological characterization by FT-IR, XRD, XPS and electron microscopy techniques. The mesoporous structure and large specific surface area of the synthesized nanomaterials provide an easy channel for ion mobility rendering an effortless redox process at the electrode electrolyte interface. As a consequence, it is observed that NiCo2O4 mixed with 10\% of CeO2 exhibits an excellent specific capacitance of 1355 Fg(-1) at 5 Ag-1 along with a high cycling stability with only 4.7\% capacity loss at the end of 6000 cycles at a charge-discharge current density of 10 Ag-1. The results obtained are in par with some of the recent electrode materials used for supercapacitors suggesting the possible employment of NiCo2O4/CeO2 mixed metal oxides in energy storage applications. (C) 2021 Elsevier B.V. All rights reserved.

}, keywords = {Charge-discharge, cyclic voltammetry, NiCo2O4/CeO2, specific capacitance, supercapacitor}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.163312}, author = {Santhosh, G. and Nayaka, G. P. and Bhatt, Aarti S.} } @article {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 {48011, title = {Understanding unfolding and refolding of the antibody fragments (Fab). II. Mapping intra and inter-chain disulfide bonds using mass spectrometry}, journal = {Biochemical Engineering Journal}, volume = {182}, year = {2022}, month = {MAY}, pages = {108439}, type = {Article}, abstract = {

Disulfide bond formation in recombinant protein therapeutics has a significant impact on the integrity and biological activity of the drug product. Formation of the disulfide linkage is the key rate-limiting step in in vitro refolding and overall manufacturing of the antibody fragments (Fab). This investigation is focused on mapping the intra, and inter-chain disulfide bonds in the in vitro refolded antibody fragments by using mass spectrometry (MS). Biosimilar rHu Ranibizumab and rHu Certolizumab expressed using E. coli were selected for the study. Both Fabs contain ten cysteine residues leading to two intra-chain disulfide bonds on each subunit and a single interchain disulfide linkage. rHu Certolizumab has an additional cysteine which is unpaired and used for pegylation. The amino acid sequence in the disulfide-bonded peptides was confirmed by Collision-induced dissociation (CID), Electron transfer dissociation (ETD) and High-energy collision dissociation (HCD). The light chain (LC) intra-chain disulfide is formed between Cys23-Cys88 and Cys134-Cys194 in both the Fabs. The heavy chain (HC) intra-chain disulfides are formed between Cys22-Cys96 and Cys150-Cys206 in rHu Ranibizumab. LC and HC subunits of rHu Ranibizumab are covalently linked by disulfide linkage formed between Cys214 of LC and Cys226 of HC. This study suggests that information from multiple MS platforms and orthogonal methods for peptide fragmentation can be effectively used to map disulfide linkages in biosimilar therapeutic proteins.

}, keywords = {Antibody fragments (Fab), Collision-induced dissociation, Electron transfer dissociation, High-energy collision dissociation, in vitro refolding, Ranibizumab}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108439}, author = {Nainwal, Neeraj and Chirmade, Tejas and Gani, Kayanat and Rana, Sunil and Bhambure, Rahul} } @article {48416, title = {Viscoelastic covalent organic nanotube fabric via macroscopic entanglement}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {SEP }, pages = {16052-16059}, type = {Article}, abstract = {

Covalent organic nanotubes (CONTs) are one-dimensional porous frameworks constructed from organic building blocks via dynamic covalent chemistry. CONTs are synthesized as insoluble powder that restricts their potential applications. The judicious selection of 2,2{\textquoteright}-bipyridine-5,5{\textquoteright}-dicarbaldehyde and tetraaminotriptycene as building blocks for TAT-BPy CONTs has led to constructing flexible yet robust and self-standing fabric up to 3 mu m thickness. The TAT-BPy CONTs and TAT-BPy CONT fabric have been characterized by solid-state one-dimensional (1D) C-13 CP-MAS, two-dimensional (2D) C-13-H-1 correlation NMR, 2D H-1-H-1 DQ-SQ NMR, and 2D N-14-H-1 correlation NMR spectroscopy. The mechanism of fabric formation has been established by using high-resolution transmission electron microscopy and scanning electron microscopy techniques. The as-synthesized viscoelastic TAT-BPy CONT fabric exhibits high mechanical strength with a reduced modulus (E-r) of 8 (+/- 3) GPa and hardness (H) of 0.6 (+/- 0.3) GPa. Interestingly, the viscoelastic fabric shows time-dependent elastic depth recovery up to 50-70\%.

}, issn = {0002-7863}, doi = {10.1021/jacs.2c06133}, author = {Koner, Kalipada and Das, Susobhan and Mohata, Shibani and Duong, Nghia Tuan and Nishiyama, Yusuke and Kandambeth, Sharath and Karak, Suvendu and Reddy, C. Malla and Banerjee, Rahul} } @article {47827, title = {Vitrimers based on bio-derived chemicals: overview and future prospects}, journal = {Chemical Engineering Journal}, volume = {433}, year = {2022}, month = {APR}, pages = {133261}, type = {Article}, abstract = {The perspective of using recyclable and biobased materials in the vitrimeric concept is attractive, in view of the regulatory guidelines and pressing need to reduce CO2-emissions. The expansion of viable bio-based polymeric materials is gaining increased attention to achieve sustainable development goals. Although durability, cost, and performance still limit their real life applications, these limitations can be overcome through state-of-the-art bio-vitrimeric materials displaying thermoset like mechanical and thermal properties as well as thermoplastic like malleable and thus recyclable properties. Bio-derived chemicals based vitrimers can be of advantage, where material design is made from scratch, allowing to plan material properties in line with their future life cycle from the very beginning. This article emphasizes the current needs of vitrimers based on bio-derived chemicals, including their recycling, reprocessing, and self-healing properties, along with their advantages and potential obstacles from todays{\textquoteright} perspective. The article also identifies potential bio-derivatives as attractive building blocks for vitrimers because of their potential for sustainability.}, keywords = {Recycling, Self-healing, Sustainable materials, Vitrimers}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.133261}, url = {https://www.sciencedirect.com/science/article/pii/S1385894721048361}, author = {Balaji Krishnakumar and Andrea Pucci and Prakash P. Wadgaonkar and Indresh Kumar and Wolfgang H. Binder and Sravendra Rana} } @article {48437, title = {Water-controlled keto-enol tautomerization of a prebiotic nucleobase}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JUL}, pages = {5735{\textendash}5743}, type = {Article}, abstract = {

Barbituric acid is believed to be a proto-RNA nucleobase that was used for biological information transfer on prebiotic earth before DNA and RNA in their present forms evolved. Nucleobases have various tautomeric forms and the relative stability of these forms is critical to their biological function. It has been shown that barbituric acid has a tri-keto form in the gas phase and an enol form in the solid state. However, its dominant tautomeric form in aqueous medium that is most relevant for biology has been investigated only to a limited extent and the findings are inconclusive. We have used multiple approaches, namely, molecular dynamics, quantum chemistry, NMR, and IR spectroscopy to determine the most stable tautomer of barbituric acid in solution. We find a delicate balance in the stability of the two tautomers, tri-keto and enol, which is tipped toward the enol as the extent of solvation by water increases.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c02507}, author = {Datar, Avdhoot and Paithankar, Harshad and Deb, Pranab and Chugh, Jeetender and Bagchi, Sayan and Mukherjee, Arnab and Hazra, Anirban} } @article {48196, title = {Well-defined hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst for superior water oxidation}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {DEC}, pages = {5491-5502}, type = {Article}, abstract = {

The development of a robust and efficient electrocatalyst for water oxidation is challenging due to the large overpotential requirement to transfer four electrons. Herein, a novel spinel-type hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst was synthesized through the facile solvothermal process and evaluated for the challenging and demanding oxygen evolution reaction (OER) in the water electrolysis process. The teddy bear sunflower-like NiCo2O4 supported on nickel foam (NF) delivers a current density of 50 mA cm(-2) at a small water oxidation overpotential (eta(50) = 319 mV) which is significantly lower than that of the corresponding spherical NiO/NF (eta(50) = 338 mV), and sea-urchin like Co3O4/NF (eta(50) = 357 mV). A large specific and electroactive surface area, as well as a high TOF value exhibited by the hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst, demonstrates the potential of NiCo2O4 to catalyze the water oxidation reaction efficiently. The impact of the near-Fermi-level d-orbital states in NiCo2O4 electrocatalyst for boosting OER activity was unveiled by the density functional theory calculation. The stable performance even after 16 h and high catalyst utilization of the hierarchical teddy bear sunflower-like NiCo2O4 through the OER indicates that the catalyst is highly suitable for the large-scale water oxidation process.

}, issn = {2398-4902}, doi = {10.1039/d2se01111e}, author = {Bodhankar, Pradnya M. M. and Dhawale, Dattatray S. S. and Giddey, Sarbjit and Kumar, Ravi and Sarawade, Pradip B. B.} } @article {48335, title = {2D layered nanomaterials as fillers in polymer composite electrolytes for lithium batteries}, journal = {Advanced Energy Materials}, volume = {13}, year = {2023}, month = {APR}, type = {Review}, abstract = {

Polymer composite electrolytes (PCEs), i.e., materials combining the disciplines of polymer chemistry, inorganic chemistry, and electrochemistry, have received tremendous attention within academia and industry for lithium-based battery applications. While PCEs often comprise 3D micro- or nanoparticles, this review thoroughly summarizes the prospects of 2D layered inorganic, organic, and hybrid nanomaterials as active (ion conductive) or passive (nonion conductive) fillers in PCEs. The synthetic inorganic nanofillers covered here include graphene oxide, boron nitride, transition metal chalcogenides, phosphorene, and MXenes. Furthermore, the use of naturally occurring 2D layered clay minerals, such as layered double hydroxides and silicates, in PCEs is also thoroughly detailed considering their impact on battery cell performance. Despite the dominance of 2D layered inorganic materials, their organic and hybrid counterparts, such as 2D covalent organic frameworks and 2D metal-organic frameworks are also identified as tuneable nanofillers for use in PCE. Hence, this review gives an overview of the plethora of options available for the selective development of both the 2D layered nanofillers and resulting PCEs, which can revolutionize the field of polymer-based solid-state electrolytes and their implementation in lithium and post-lithium batteries.

}, keywords = {2D materials, clay minerals, covalent organic frameworks, metal-organic frameworks, MXene, polymer composite electrolyte, solid-state batteries}, issn = {1614-6832}, doi = {10.1002/aenm.202203326}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Asokan, Kiran and Sukumaran, Santhosh Babu and Kurungot, Sreekumar and Mindemark, Jonas and Brandell, Daniel and Winter, Martin and Nair, Jijeesh Ravi} } @article {48827, title = {3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting}, journal = {Materials Horizons}, volume = {10}, year = {2023}, month = {JUL}, pages = {3153-3161}, type = {Article}, abstract = {

Three-dimensional printing (3DP) is an emerging technology to fabricate complex architectures, necessary to realize state-of-the-art flexible and wearable electronic devices. In this regard, top-performing devices containing organic ferro- and piezoelectric compounds are desired to circumvent significant shortcomings of conventional piezoceramics, e.g. toxicity and high-temperature device processibility. Herein, we report on a 3D-printed composite of a chiral ferroelectric organic salt {[Me3CCH(Me)NH3][BF4]} (1) with a biodegradable polycaprolactone (PCL) polymer that serves as a highly efficient piezoelectric nanogenerator (PENG). The ferroelectric property of 1 originates from its polar tetragonal space group P4(2), verified by P-E loop measurements. The ferroelectric domain characteristics of 1 were further probed by piezoresponse force microscopy (PFM), which gave characteristic {\textquoteleft}butterfly{\textquoteright} and hysteresis loops. The PFM amplitude vs. drive voltage measurements gave a relatively high magnitude of the converse piezoelectric coefficient for 1. PCL polymer composites with various weight percentages (wt\%) of 1 were prepared and subjected to piezoelectric energy harvesting tests, which gave a maximum open-circuit voltage of 36.2 V and a power density of 48.1 mu W cm(-2) for the 10 wt\% 1-PCL champion device. Furthermore, a gyroid-shaped 3D-printed 10 wt\% 1-PCL composite was fabricated to test its practical utility, which gave an excellent output voltage of 41 V and a power density of 56.8 mu W cm(-2). These studies promise the potential of simple organic compounds for building PENG devices using advanced manufacturing technologies.

}, issn = {2051-6347}, doi = {10.1039/d3mh00444a}, author = {Sahoo, Supriya and Kothavade, Premkumar Anil and Naphade, Dipti R. and Torris, Arun and Praveenkumar, Balu and Zareba, Jan K. and Anthopoulos, Thomas D. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {48317, title = {Accelerated Rauhut-Currier dimerization enabled the synthesis of (+/-)-incarvilleatone and anticancer studies}, journal = {Beilstein Journal of Organic Chemistry}, volume = {19}, year = {2023}, month = {FEB}, pages = {204-211}, type = {Article}, abstract = {

The total synthesis of racemic incarvilleatone has been achieved by utilizing unexplored accelerated Rauhut-Currier (RC) dimeriza-tion. The other key steps of the synthesis are oxa-Michael and aldol reactions in a tandem sequence. Racemic incarvilleatone was separated by chiral HPLC and the configuration of each enantiomer was determined by single-crystal X-ray analysis. In addition, a one-pot synthesis of (+/-)-incarviditone has been achieved from rac-rengyolone by using KHMDS as a base. We have also assessed the anticancer activity of all the synthesized compounds in breast cancer cells nonetheless, they exhibited very limited growth suppression activity.

}, keywords = {dimerization, incarviditone, incarvilleatone, oxa-Michael, Rauhut-Currier}, issn = {1860-5397}, doi = {10.3762/bjoc.19.19}, author = {Kotammagari, Tharun K. and Misra, Sweta and Paul, Sayantan and Kunte, Sunita and Gonnade, Rajesh G. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {48935, title = {Active site engineering and theoretical aspects of {\textquoteleft}{\textquoteleft}Superhydrophilic{\textquoteright}{\textquoteright} nanostructure array enabling efficient overall water electrolysis}, journal = {Small}, volume = {19}, year = {2023}, month = {DEC}, type = {Article}, abstract = {

The rational design of noble metal-free electrocatalysts holds great promise for cost-effective green hydrogen generation through water electrolysis. In this context, here, the development of a superhydrophilic bifunctional electrocatalyst that facilitates both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline conditions is demonstrated. This is achieved through the in situ growth of hierarchical NiMoO4@CoMoO4 center dot xH(2)O nanostructure on nickel foam (NF) via a two-step hydrothermal synthesis method. NiMoO4@CoMoO4 center dot xH(2)O/NF facilitates OER and HER at the overpotentials of 180 and 220 mV, respectively, at the current density of 10 mA cm(-2). The NiMoO4@CoMoO4 center dot xH(2)O/NF parallel to NiMoO4@CoMoO4 center dot xH(2)O/NF cell can be operated at a potential of 1.60 V compared to 1.63 V displayed by the system based on the Pt/C@NF parallel to RuO2@NF standard electrode pair configuration at 10 mA cm(-2) for overall water splitting. The density functional theory calculations for the OER process elucidate that the lowest Delta G of NiMoO4@CoMoO4 compared to both Ni and NiMoO4 is due to the presence of Co in the OER catalytic site and its synergistic interaction with NiMoO4. The preparative strategy and mechanistic understanding make the windows open for the large-scale production of the robust and less expensive electrode material for the overall water electrolysis.

}, keywords = {density functional theory (DFT) study, hydrogen evolution reaction (HER), Hydrothermal synthesis, oxygen evolution reaction (OER), superhydrophilic nanostructures, synergistic interaction, water electrolysis}, issn = {1613-6810}, doi = {10.1002/smll.202304143}, author = {Barik, Sidharth and Kharabe, Geeta Pandurang and Illathvalappil, Rajith and Singh, Chandrodai Pratap and Kanheerampockil, Fayis and Walko, Priyanka S. and Bhat, Suresh K. and Devi, R. Nandini and Vinod, C. P. and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {48439, title = {Amino acid abundance and composition in cell culture medium affects trace metal tolerance and cholesterol synthesis}, journal = {Biotechnology Progress}, volume = {39}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

Amino acid compositions of cell culture media are empirically designed to enhance cell growth and productivity and vary both across media formulations and over the course of culture due to imbalance in supply and consumption. The interconnected nature of the amino acid transporters and metabolism suggests that changes in amino acid composition can affect cell physiology. In this study, we explore the effect of a step change in amino acid composition from a DMEM: F12-based medium to a formulation varying in relative abundances of all amino acids, evaluated at two amino acid concentrations (lean LAA vs. rich HAA). Cell growth was inhibited in LAA but not HAA. In addition to the expected effects on expression of the cell cycle, amino acid response and mTOR pathway genes in LAA, we observed an unanticipated effect on zinc uptake and efflux genes. This was accompanied by a lower tolerance to zinc supplementation in LAA but not in the other formulations. Histidine was sufficient but not necessary to prevent such zinc toxicity. Additionally, an unanticipated downregulation of genes in the cholesterol synthesis pathway was observed in HAA, accompanied by an increase in cellular cholesterol content, which may depend on the relative abundances of glutamine and other amino acids. This study shows that changes in the amino acid composition without any evident effect on growth may have profound effects on metabolism. Such analyses can help rationalize the designing of medium and feed formulations for bioprocess applications beyond replenishment of consumed components.

}, keywords = {Amino acids, cell culture medium, CHO cells, Cholesterol, zinc}, issn = {8756-7938}, doi = {10.1002/btpr.3298}, author = {Rawat, Jyoti and Bhambri, Aksheev and Pandey, Ujjiti and Banerjee, Sanchita and Pillai, Beena and Gadgil, Mugdha} } @article {48326, title = {Antiviral and ROS scavenging potential of Carica papaya Linn and Psidium guajava leaves extract against HIV-1 infection}, journal = {BMC Complementary Medicine and Therapies}, volume = {23}, year = {2023}, month = {MAR}, pages = {82}, type = {Article}, abstract = {

Antiretroviral therapy is the only treatment option for HIV-infected patients; however, it has certain drawbacks in terms of developing multiple toxic side effects. Thus, there is a continuous need to explore safe and efficacious anti-retroviral agents. Carica papaya Linn and Psidium guajava are known for their various biological activities. In this study, we characterized the bioactive fractions of methanolic leaves extract from both plants using the High-resolution electrospray ionization mass spectrometry (HR-ESI-MS) technique, followed by the investigation of their potential as anti-HIV-1 and antioxidant agents through in vitro mechanistic assays. The anti-HIV-1 activity was examined in TZM-bl cells through luciferase gene assay against two different clades of HIV-1 strains, whereas the intracellular ROS generation was analyzed by Fluorescence-Activated Cell Sorting. Additionally, the mechanisms of action of these phyto-extracts were determined through the Time-of-addition assay. The characterization of Carica papaya Linn and Psidium guajava leaves extract through HR-ESI-MS fragmentation showed high enrichment of various alkaloids, glycosides, lipids, phenolic compounds, terpenes, and fatty acids like bioactive constituents. Both the phyto-extracts were found to be less toxic and exhibited potent antiviral activity against HIV-1 strains. Furthermore, the phyto-extracts also showed a decreased intracellular ROS in HIV-1 infected cells due to their high antioxidant potential. Overall, our study suggests the anti-HIV-1 potential of Carica papaya Linn and Psidium guajava leaves extract due to the synergistic action of multiple bioactive constituents.

}, keywords = {anti-HIV-1 activity, Anti-retroviral, Bioactive constituents, Carica papaya Linn, Cytotoxicity, HR-ESI-MS, Psidium guajava, reactive oxygen species}, doi = {10.1186/s12906-023-03916-x}, author = {Jadaun, Pratiksha and Shah, Prachibahen and Harshithkumar, R. and Said, Madhukar S. and Bhoite, Shubhangi P. and Bokuri, Sowmya and Ravindran, Selvan and Mishra, Neetu and Mukherjee, Anupam} } @article {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 {48473, title = {Bacterial communities and diversity of western ghats soil: a study of a biodiversity hotspot}, journal = {Current Microbiology}, volume = {80}, year = {2023}, month = {APR}, pages = {108}, type = {Article}, abstract = {

The Western Ghats is one of India{\textquoteright}s mega-diversity hotspots and an ecologically and geologically important area for the diversity of endemic plants and animals. The present study provides insights into the aerobic bacterial diversity and composition of the soils of North Western Ghats located in Maharashtra state (NWGM), India. The samples for the culture-dependent study were collected from 6 different locations namely Malshej Ghat, Bhimashankar, Lonavala, Mulshi, Tail-Baila, and Mahabaleshwar. A total of 173 isolates were obtained from the different samples, which belonged to Proteobacteria (43\%), Firmicutes (36\%), and Actinobacteria (19\%). Sequences of 15 strains shared \<= 98.7\% similarity (a species cut-off) which represent potential novel species. Metagenomic analysis revealed the presence of Actinobacteria and Proteobacteria as the most dominant phyla at both MB and MG. However, both sites showed variation in the composition of rare phyla and other dominant phyla. This difference in bacterial community composition could be due to differences in altitude or other physicochemical properties. The functional prediction from the amplicon sequencing showed the abundance of carbohydrate, protein, and lipid metabolism which was corroborated by screening the isolated bacterial strains for the same. The present study has a unique take on microbial diversity and defines the importance of community assembly processes such as drift, dispersal, and selection. Such processes are relatively important in controlling community diversity, distribution, as well as succession. This study has shown that the microbial community of NWGM is a rich source of polysaccharide degrading bacteria having biotechnological potential.

}, issn = {0343-8651}, doi = {10.1007/s00284-023-03207-1}, author = {Ghare, Uma and Narvekar, Simran and Lodha, Tushar and Mallebhari, Rubiya and Dastager, Syed and Barvkar, Vitthal T. and Dhotre, Dhiraj and Karmalkar, Nitin R. and Pable, Anupama A.} } @article {48816, title = {BAHD-type acyltransferase concludes the biosynthetic pathway of non-bitter glycoalkaloids in ripe tomato fruit}, journal = {Nature Communications}, volume = {14}, year = {2023}, month = {JUL}, pages = {4540}, type = {Article}, abstract = {

During tomato fruit ripening, bitter and toxic steroidal glycoalkaloids (SGAs) are converted to nonbitter and less toxic forms, but proposed acylating enzyme in pathway remain unknown. Here, authors report BAHD-type acyltransferase that catalyze acylation step in biosynthesis of non-bitter SGAs in tomato. Tomato is the highest value fruit and vegetable crop worldwide, yet produces \& alpha;-tomatine, a renowned toxic and bitter-tasting anti-nutritional steroidal glycoalkaloid (SGA) involved in plant defense. A suite of modifications during tomato fruit maturation and ripening converts \& alpha;-tomatine to the non-bitter and less toxic Esculeoside A. This important metabolic shift prevents bitterness and toxicity in ripe tomato fruit. While the enzymes catalyzing glycosylation and hydroxylation reactions in the Esculeoside A pathway have been resolved, the proposed acetylating step remains, to date, elusive. Here, we discovered that GAME36 (GLYCOALKALOID METABOLISM36), a BAHD-type acyltransferase catalyzes SGA-acetylation in cultivated and wild tomatoes. This finding completes the elucidation of the core Esculeoside A biosynthetic pathway in ripe tomato, allowing reconstitution of Esculeoside A production in heterologous microbial and plant hosts. The involvement of GAME36 in bitter SGA detoxification pathway points to a key role in the evolution of sweet-tasting tomato as well as in the domestication and breeding of modern cultivated tomato fruit.

}, doi = {10.1038/s41467-023-40092-5}, author = {Sonawane, Prashant D. and Gharat, Sachin A. and Jozwiak, Adam and Barbole, Ranjit and Heinicke, Sarah and Almekias-Siegl, Efrat and Meir, Sagit and Rogachev, Ilana and O{\textquoteright}Connor, Sarah E. and Giri, Ashok P. and Aharoni, Asaph} } @article {48692, title = {Binder-free and flexible VOPO4/CNT film as cathode for aqueous rechargeable Zn-metal battery}, journal = {Advanced Sustainable Systems}, volume = {7}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

Aqueous rechargeable Zn-metal batteries (AZMBs) are promising energy storage aids due to their inherent safety, low cost, and competent performance, with prospects in stationary and portable applications. In this regard, one of the critical requirements is developing electrodes that can adapt to mechanical deformation without compromising the charge storage performance. The current work demonstrates the development of a binder-free and mechanically flexible composite cathode film (VP/fCNT-F, where {\textquoteleft}F{\textquoteright} stands for the film) based on VOPO4 (VP) and functionalized carbon nanotubes (fCNTs). The VP/fCNT-F film processing involves simple vacuum filtration of the composite obtained from the in-situ reaction of the fCNTs and the VP precursor in an aqueous medium. The functionalization of carbon nanotube (CNT) is important for the homogenous dispersion of VP and fCNT. The VP/fCNT-F electrode is used as a monolithic electrode in AZMB cells in combination with both liquid and quasi-solid-state gel polymer electrolytes. Besides, the utility of the VP/fCNT-F electrode in a flexible battery configuration is also demonstrated. Interestingly, in both the coin-cell and flexible configurations, the VP/fCNT-F electrode delivers a comparable discharge capacity of 90 and 78 mAh g(-1), respectively (at 0.1 A g(-1)), validating the advantage of the binder-free VP/fCNT-F electrode for AZMBs.

}, keywords = {binder-free cathodes, flexible batteries, layered VOPO4, polymer gel electrolytes, self-standing flexible films}, issn = {2366-7486}, doi = {10.1002/adsu.202300141}, author = {Dilwale, Swati and Babu, Athira and Puthiyaveetil, Priyanka Pandinhare and Kurian, Maria and Ghosh, Meena and Kurungot, Sreekumar} } @article {48749, title = {Biosynthesis of gold nanoparticles by Penicillium rubens and catalytic detoxification of ochratoxin A and organic dye pollutants}, journal = {International Microbiology}, volume = {26}, year = {2023}, month = {NOV}, pages = {765-780}, type = {Article}, abstract = {

The environmental pollution caused by chemical dyes is a growing concern nowadays. Limitations of traditional methods opened the route for nanotechnology; owing to the versatile properties of nanomaterials, gold nanoparticles (AuNPs) became a potential strategy for different applications. In the present study, biosynthesis of gold nanoparticles (BioAuNPs) was carried out by reacting chloroauric acid (HAuCl4) with cell-free filtrate of Penicillium rubens sp. nov. NCIM 1937. The AuNPs were then characterized by UV-visible spectroscopy, HR-TEM, FTIR, and DLS analysis to further examine their efficacious biosynthesis and morphological properties including size, shape, and stability. The biogenic AuNPs are polydisperse in nature, with a mean size of 14.92 +/- 5 nm. These AuNPs exhibited promising antimicrobial activity against Escherichia coli NCIM-2065, Bacillus subtilis NCIM-2010, and Penicillium verrucosum MTCC 4935. In vitro quantitative HPLC results revealed that BioAuNPs significantly inhibited the biosynthesis of ochratoxin A (OTA). Microbial fuel cells (MFCs) are intriguing for power generation and wastewater treatment since they can directly transform chemical energy stored in organic matter to electricity by extracellular electron transfer (EET) via membrane proteins. AuNPs also showed excellent potential for dye degradation of organic pollutants, viz., methylene blue (MB), phenol red (PR), bromothymol blue (BTB), Congo red (CR), and 4-nitrophenol (4-NP). All dye removal efficiencies were estimated and fitted to pseudo-first-order processes using kinetic rate constants (Ka).The present study reveals a simple, original, and eco-friendly method for the synthesis of multifunctional biogenic AuNPs that could be effective in OTA detoxification in food products and organic pollutant removal during wastewater treatment for a sustainable environment.

}, keywords = {Catalytic organic dye degradation, gold nanoparticles, Ochratoxin A, Penicillium rubens, Penicillium verrucosum}, issn = {1139-6709}, doi = {10.1007/s10123-023-00341-5}, author = {Bhandari, Yogesh and Varma, Sanjana and Sawant, Amol and Beemagani, Sreelatha and Jaiswal, Neha and Chaudhari, Bhushan P. and Vamkudoth, Koteswara Rao} } @article {48441, title = {Cadmium (II) Organo Tetrakis-[1,2]-Oxathiin (CdOTOT): a 3D sandwiched frameworks with efficient hydrogen production}, journal = {Journal of Catalysis}, volume = {417}, year = {2023}, month = {JAN}, pages = {341-350}, type = {Article}, abstract = {

For over a decade, the structure, reactivity, and mechanism of graphene based photocatalysts have been of great interest for hydrogen (H2) generation. Several studies have been done on the edge side groups (ESGs) of graphene oxide (GO), but the basal plane groups (BPGs)-epoxide and hydroxide have acquired far less attention. This is because the GO layers are strongly held with van der waals forces as well as H-bonding which prevents the foreign body from entering inside the layers. To overcome these problems, this study presents the successful synthesis and application of four coordinated sandwiched (FCS) Cadmium (II) Organo Tetrakis-[1,2]-Oxathiin (CdOTOT) in rGO-CdS composite (A 3D sandwiched frame-work). Additionally, experimental outcomes have been further supported using density functional theory (DFT), which suggest that CdOTOT is more stable than its precursors as well as thermodynamically favourable. The CdOTOT shows high H2 production activity -67.5 mmol/g or 13.5 mmol/g/h in presence of 1 \% Pt cocatalyst and sacrificial reagents (Na2S/Na2SO3). It is around 33 times higher than pristine CdS, and stable up to around 15 hrs without adding any cocatalyst. This mesmerising outcome is over with reported various CdS-rGO based photocatalysts. The higher activity was further explained through the proposed mechanism and observed low electronic work function of CdOTOT. This innovative and extend-able (with other metals) approach provides a revolutionary impact on numerous cutting-edge research applications like photocatalysis, water splitting, solar cell, etc.(c) 2022 Elsevier Inc. All rights reserved.

}, keywords = {2], 3D sandwiched frameworks, Basal Plane Groups (BPGs), Cadmium (II) Organo Tetrakis-[1, hydrogen production, Oxathiin (CdOTOT)}, issn = {0021-9517}, doi = {10.1016/j.jcat.2022.12.019}, author = {Kumar, Praveen and Bajpai, Himanshu and Luwang, Meitram Niraj} } @article {48336, title = {Carbon black and chitin nanofibers for green tyres: preparation and property evaluation}, journal = {Carbohydrate Polymers}, volume = {310}, year = {2023}, month = {JUN}, pages = {120700}, type = {Article}, abstract = {

This research highlights the synergistic use of carbon black (CB) and chitin nanofibers (CHNFs) for developing green tyres for the first time. The CHNFs (12-30 nm) were prepared from chitin powder with the help of steam explosion and mild oxalic acid hydrolysis. The CHNFs were uniformly dispersed in natural rubber (NR) latex, dried, and mixed with CB in a two-roll mill to form NR/CB/CHNF composites. The NR/CB/CHNF composite at 1 phr CHNF loading exhibited tensile and tear strengths that were about 47 and 160 \% greater than the NR-Neat, respectively. The dynamic mechanical analysis showed that the loss tangent (tan delta) at 60 degrees C was 50 \% lower for the NR/CB/CHNF 1.0 composite than for the NR/CB50 composite. The study succeeded in developing a new green tyre tread formulation that would be helpful for attaining sustainability and a circular economy.

}, keywords = {carbon black, Chitin nanofibers, Green Tyre, natural rubber latex}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2023.120700}, author = {Mathew, Mariya and Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Dileep, P. and Kumar, T. G. Ajith and Sabu, Akshay Alax and Nagane, Dhiraj and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {48996, title = {Cerebrospinal fluid protein profiles in alzheimer{\textquoteright}s dementia patients: a bioinformatic approach}, journal = {Annals of Indian Academy of Neurology }, volume = {26}, year = {2023}, type = {Letter}, issn = {0972-2327}, doi = {10.4103/aian.aian_206_23}, author = {Misra, Anamika and Chakrabarti, Sankha S. and Gambhir, Indrajeet S. and Baghel, Meghraj S. and Patil, Yugendra R.} } @article {48726, title = {C-H functionalization of pyridines}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL}, pages = {5671-5690}, type = {Review}, abstract = {

Pyridine and its reduced form (piperidine) are the most common nitrogen heterocycles in FDA-approved drugs. Additionally, their presence in alkaloids, ligands for transition metals, catalysts, and organic materials with various properties makes them among the most important structural cores. Despite its importance, direct and selective functionalization of pyridine remains scarce due to its electron-poor nature and nitrogen coordination power. Instead, functionalized pyridine rings were primarily constructed from suitably substituted acyclic precursors. The focus on sustainable chemistry with minimum waste generation encourages chemists to develop direct C-H functionalization. This review summarizes different approaches to tackle the reactivity and regio- and stereoselectivity aspects for direct pyridine C-H functionalization.

}, issn = {1477-0520}, doi = {10.1039/d3ob00799e}, author = {Maity, Susmita and Bera, Asish and Bhattacharjya, Ayantika and Maity, Pradip} } @article {48321, title = {Charge trapped CdS quantum dot embedded polymer matrix for a high speed and low power memristor}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {FEB }, pages = {3737-3744}, type = {Article}, abstract = {

The data storage requirement in the digital world is increasing day by day with the advancement of the internet of things. In this respect, nonvolatile resistive random-access memory is an option that provides high density and low power data storage capabilities. In this work, zero-dimensional colloidal CdS quantum dots and a polymer composite at an appropriate ratio were used to fabricate a memristive device. Comparison with a pristine CdS quantum dot-based device reveals that a surrounding matrix around the quantum dots is needed for observing memristive behavior. The quantum dots embedded in the polymer matrix device showed extremely stable electrical switching behavior that can be operated for more than 300 cycles and 60 000 seconds. Moreover, the device needs extremely low power to operate at a very high speed. The smooth surface morphology dictates a charge trapping mechanism for the switching phenomenon; however, an interplay between different charge transport mechanisms leads to the fast switching and high on-off ratio of the device.

}, issn = {1463-9076}, doi = {10.1039/d2cp05014e}, author = {Betal, Atanu and Bera, Jayanta and Sharma, Ashish and Rath, Arup K. K. and Sahu, Satyajit} } @article {48293, title = {Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {MAY }, pages = {2705-2713}, type = {Article}, abstract = {

Chemodivergent (de)hydrogenative coupling of azoarenes with benzyl alcohols is achieved via the N=N bond activation using an inexpensive and well-defined (6-OH-bpy)NiCl2 catalyst. This protocol highlights the construction of C-N bonds via a borrowing hydrogen strategy that offers substituted imines and amines. A range of azo compounds couple with various substituted benzyl alcohols in a tandem hydrogenation/dehydrogenation process. The nickel catalyst along with the K2CO3 or (KOBu)-Bu-t base governed the selectivity in imine and amine formation. A preliminary mechanistic study establishes the crucial role of metal-ligand cooperation (MLC) comprising the distinct radical pathways.

}, issn = {2044-4753}, doi = {10.1039/d3cy00090g}, author = {Bansal, Sadhna and Gonnade, Rajesh G. and Punji, Benudhar} } @article {49126, title = {Chloroperoxidase applications in chemical synthesis of industrial relevance}, journal = {Biocatalysis and Biotransformation}, volume = {41}, year = {2023}, month = {NOV }, pages = {403-420}, type = {Article}, abstract = {

Biocatalysts can accelerate the catalysis of a chemical reaction that is difficult to synthesize with typical chemical methods. The global enzyme market size is predicted to expand at a CAGR of 6.5\% from 2021 to 2028. Enzymatic reactions are highly chemo, regio, and stereoselective and produce various fine chemicals such as drugs, agrochemicals, and fragrance molecules. Peroxidases (PO) (EC 1.11.1.x) are a large class of enzymes that play an important role in various biological processes. Chloroperoxidase (CPO, EC 1.1.1.10) is a versatile fungal haem-thiolate protein that is useful in the asymmetric synthesis of chiral building blocks and has an important role in a number of biological processes. CPO{\textquoteright}s main biological role is chlorination, although it also catalyses haem PO, catalase (CAT), and reactions similar to cytochrome P450. However, CPO performs both oxidation and stereo-specific halogenation of chemical molecules. The haem and vanadium POs are produced by Caldariomyces fumago, and Curvularia inaequalis, respectively, and are capable of halogenating the flavanones, naringenin, and hesperetin, at C-6 and C-8 in the presence of either Cl- or Br-. In this review, we discussed the various applications of CPO including synthesis of epoxides, drugs, halogenation of thymol, nitriles, the Aza-Achmatowicz reaction, and biomedical applications such as cancer and biosensors. In light of these novel features, we have provided a detailed review of CPOs and their applications in various stereoselective chemical transformations of industrial relevance.

}, keywords = {active pharmaceutical ingredients, Biotransformation, Caldariomyces fumago, chemo, Chloroperoxidase, regio, stereoselectivity}, issn = {1024-2422}, doi = {10.1080/10242422.2022.2107919}, author = {Bhandari, Yogesh and Sajwan, Hemlata and Pandita, Parul and Koteswara Rao, Vamkudoth} } @article {48728, title = {Chromatography assisted in-vitro refolding and purification of recombinant peptibody: recombinant romiplostim a case study}, journal = {International Journal of Biological Macromolecules}, volume = {249}, year = {2023}, month = {SEP }, pages = {126037}, type = {Article}, abstract = {

In-vitro protein refolding is one of the key rate-limiting unit operations in manufacturing of fusion proteins such as peptibodies expressed using E. coli. Dilution-assisted refolding is the most commonly used industrial practice to achieve the soluble, native functional form of the recombinant protein from the inclusion bodies. This study is focused on developing a chromatography-assisted in-vitro refolding platform to produce the biologically active, native form of recombinant peptibody. Recombinant Romiplostim was selected as a model protein for the study. A plug flow tubular reactor was connected in series with capture step affinity chromatography to achieve simultaneous in-vitro refolding and capture step purification of recombinant Romiplostim. Effect of various critical process parameters like fold dilution, temperature, residence time, and Cysteine: DTT ratio was studied using a central composite based design of experiment strategy to achieve a maximum refolding yield of selected peptibody. Under optimum refolding conditions, the maximum refolding yield of 57.0 \& PLUSMN; 1.5 \% and a purity of over 79.73 \& PLUSMN; 3.4 \% were achieved at 25-fold dilution, 15 degrees C temperature, 6 h residence time with 6 mM and 10 mM of cysteine and DTT, respectively. The formation of native peptibody structure was examined using various orthogonal analytical tools to study the protein{\textquoteright}s primary, secondary, and tertiary structure. The amino acid sequence for the disulfide-linked peptide was mapped using collision-induced dissociation (CID) to confirm the formation of interchain disulfide bonds between Cys7-Cys7 and Cys10-Cys10 similarly for intra-chain disulfide bonds between Cys42-Cys102, and Cys148-Cys206. The developed protocol here is a valuable tool to identify high-yield scalable refolding conditions for multi-domain proteins involving inter-domain disulfide bonds.

}, keywords = {CE-SDS, Disulfide bonds, In-vitro refolding, Peptibody, Romiplostim}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.126037}, author = {Rana, Sunil and Ughade, Santosh and Kumthekar, Rupali and Bhambure, Rahul} } @article {48954, title = {Cloning and expression of antibody fragment (Fab) II: Effect of expression hosts on light and heavy chain gene expression}, journal = {Biochemical Engineering Journal }, volume = {200}, year = {2023}, month = {NOV}, type = {Journal Article}, abstract = {

Protein expression stoichiometry of individual subunits plays a critical role in the formation of multi-domain functional therapeutic proteins like antibody fragments. In this study, we have evaluated light to heavy chain ratio (LC: HC) of rHu Ranibizumab expressed using duet expression vector in six E. coli strains. The LC: HC ratio at the protein level was determined using RP-HPLC whereas transcript abundance of LC and HC at the mRNA level was determined using RTqPCR. Protein level study as well as the transcript abundance profiles of the LC and HC genes were observed to be differentially expressed across the E. coli strains. BL21 STAR (DE3) and Origami 2 strains resulted in a nearly equal expression ratio of LC and HC genes. Untargeted shotgun proteomics analysis was performed to identify the differentially expressed proteins. Total 1083 proteins were identified in the spectral IDA library, while 244 and 149 proteins were differentially expressed in Origami 2 and BL21 STAR (DE3) respectively. These proteins are associated with translation and nucleotide biosynthesis pathways. Ob-tained results provide insights into the impact of different E.coli host strains on LC: HC ratio, the probable reasons behind the unbalanced gene ratio, and provide useful transcriptomic and proteomics analysis protocols.

}, keywords = {E.coli host strains, Expression stoichiometry, Proteome analysis, rHu biosimilar Ranibizumab, Transcript abundance}, issn = {1369-703X}, doi = {10.1016/j.bej.2023.109094}, author = {Mehta, Deepa and Chirmade, Tejas and Nainwal, Neeraj and Bhambure, Rahul} } @article {48309, title = {Cobalt-manganese modified theophrastite phase of nickel hydroxide nanoflower arrays on nickel foam as a self-standing bifunctional electrode for overall water electrolysis}, journal = {Sustainable Energy \& Fuels}, volume = {7}, year = {2023}, month = {MAY}, pages = {2428-2440}, type = {Article}, abstract = {

Designing and developing self-supported electrodes for water electrolysis is attractive as compared to conventional catalyst-coated electrodes. Herein, a (Co0.3Mn0.1Ni0.6)(OH)(2)/NF nanocomposite is prepared by anchoring (Co0.3Mn0.1Ni0.6)(OH)(2)via simple one-pot hydrothermal synthesis on nickel foam. The presence of Mn induces the external electronic structure of Co(OH)(2), and this also improves the electrochemically active surface area (ECSA). These favor better accessibility of active sites and increased intrinsic activity for the OER and HER. (Co0.3Mn0.1Ni0.6)(OH)(2)/NF has shown promising electrochemical activity toward the OER and HER in a 1 M KOH electrolyte, with an overpotential of 270 mV for the OER and 163 mV for the HER to deliver 10 mA cm(-2) current density. The overall water splitting was performed by employing (Co0.3Mn0.1Ni0.6)(OH)(2)/NF as both the cathode and anode by displaying a voltage of 1.62 V at 10 mA cm(-2), which is comparable to that extracted from a similar system based on the state-of-the-art Pt/C@NF cathode and RuO2@NF anode (1.60 V at 10 mA cm(-2)) standard electrode pair. Interestingly, at high current densities, the (Co0.3Mn0.1Ni0.6)(OH)(2)/NF//(Co0.3Mn0.1Ni0.6)(OH)(2)/NF system displayed better overall water splitting performance (1.78 V at 100 mA cm(-2)) compared to its Pt/C@NF//RuO2@NF (1.89 V at 100 mA cm(-2)) counterpart while displaying a stable output during the evolution period that lasted for 24 h. The amounts of H-2 and O-2 produced are estimated to be 701.2 and 358.6 mmol, respectively, at a time interval of 1 h; these amounts correspond to an similar to 1 : 2 ratio of O-2 and H-2, respectively. This study confirms the capability for employing (Co0.3Mn0.1Ni0.6)(OH)(2)/NF as a bi-functional and self-standing electrode for the realistic demonstrations of overall water splitting applications.

}, issn = {2398-4902}, doi = {10.1039/d3se00233k}, author = {Kharabe, Geeta Pandurang and Illathvalappil, Rajith and Barik, Sidharth and Kanheerampockil, Fayis and Walko, Priyanka S. and Bhat, Suresh K. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {48793, title = {Cocrystal approach to modulate the photoluminescent properties of a GFP chromophore analogue: role of halogen/hydrogen bonding in achieving a wide range of solid-state fluorescence emissions}, journal = {Crystal Growth \& Design}, volume = {23}, year = {2023}, month = {JUN }, pages = {5052-5065}, type = {Article}, abstract = {

Fine-tuning the photophysical properties of fluorescentorganicsolids is essential to attain multicolor displays and meet the demandfor futuristic light-emitting materials. Here, we report the tunableluminescence of a green fluorescent protein (GFP) chromophore analogue,3,4,5-TIA (A), based on the formation of two-component molecular cocrystalswith six different coformers. Coformers selected to synthesize thebinary cocrystals include 1,4-diiodotetrafluorobenzene (B), perfluoronaphthalene(C), 1,4-dibromotetrafluorobenzene (D), 2,3,5,6-tetrafluoroterephthalicacid (E), benzene-1,2,4,5-tetracarbonitrile (F), and benzene-1,2,4,5-tetracarboxylicacid (G). Interestingly, the cocrystals A center dot C and A center dot Fshowed molecular crystal polymorphism with a slight variation in fluorescence,revealing an aggregation-induced emission (AIE). A crystal structureanalysis showed the interplay of hydrogen bonding, halogen bonding,and aromatic pi-stacking interactions in associating neutralsolid components in the cocrystal. All of the novel cocrystals displayeda wide range of photoluminescence ranging from blue to dark orange.The time-dependent density functional theory (TD-DFT) calculationsindicate the changes in the energy level structures (HOMO to LUMO)in cocrystals that resulted in variations in fluorescence emission.The study aims to further understand the structure-propertyrelationship between molecular arrangement and photoluminescence. Cocrystals of a GFPc analogue with differentcoformers displayeda wide range of fluorescence emissions ranging from blue to dark orangewith varying quantum yields. With similar geometries of pi-stackinginteractions, hydrogen and halogen bonding have played a vital rolein fine-tuning the photoluminescence; halogen bonding leads to a blueshift, and hydrogen bonding results in a red shift.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.3c00307}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Annadhasan, Mari and Biswas, Anupam and Manoj, Kochunnoonny and Vanka, Kumar and Gonnade, Rajesh G.} } @article {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 {48489, title = {Comparative evaluation of advanced oxidation processes (AOPs) for reducing SARS-CoV-2 viral load from campus sewage water}, journal = {Journal of Environmental Chemical Engineering}, volume = {11}, year = {2023}, month = {JUN}, pages = {109673}, type = {Article}, abstract = {

Presence of SARS-CoV-2 in wastewater is a major concern as the wastewater meets rivers and other water bodies and is used by the population for various purposes. Hence it is very important to treat sewage water in an efficient manner in order to reduce the public health risk. In the present work, various advanced oxidation processes (AOPs) have been evaluated for disinfection of SARS-CoV-2 from sewage water collected from STP inlet of academic institutional residential. The sewage water was subjected to ten AOPs, which include Ozone (O3), Hydrodynamic cavitation (HC), Ultraviolet radiation (UV), and their hybrid combinations like HC/O3, HC/O3/ H2O2, HC/H2O2, O3/UV, UV/H2O2, UV/H2O2/O3, and O3/H2O2 to reduce SARS-CoV-2 viral load. Further, AOP treated sewage water was subjected to total nucleic acid isolation followed by RT-qPCR for viral load estimation. The sewage water treatment techniques were evaluated based on their viral concentration-reducing efficiency. It was found that ozone and ozone-coupled hybrid AOPs showed the most promising result with more than 98 \% SARS-CoV-2 viral load reducing efficiency from sewage water. Interestingly, the best six AOPs used in this study significantly reduced both the SARS-CoV-2 and PMMoV (faecal indicator) viral load and improved water quality in terms of increasing DO and decreasing TOC.

}, keywords = {AOPs and hybrid AOPs, Hydrodynamic cavitation, Ozonation, PMMoV, SARS-CoV-2, Sewage water treatment}, issn = {2213-2929}, doi = {10.1016/j.jece.2023.109673}, author = {Pramanik, Rinka and Bodawar, Narendra and Brahme, Aashay and Kamble, Sanjay and Dharne, Mahesh} } @article {47350, title = {Comparative studies of the influence of particle size on various pretreatments of rice husk by assessment of chemical and structural components and wastewater characteristics of liquid fraction}, journal = {Biomass Conversion and Biorefinery}, volume = {13}, year = {2023}, month = {APR}, type = {Article}, abstract = {

The dilute acid (DA), steam explosion (SE), and a 2-step: steam explosion followed by alkali (SEA) were evaluated for pretreatment of rice husk. The maximum hemicellulose and lignin removal via degradation and dissolution was observed for SEA pretreatment, enabling higher cellulose enrichment (up to 44\% w/w) and recovery (up to 78\%). The hemicellulose solubilization was \>90\% for all the pretreatments, while maximum lignin removal (up to 62\%) was observed for SEA pretreatment. The particle size in the range of 0.3-0.6 mm enabled higher pretreatment efficiencies in terms of cellulose enrichment. The liquid fraction obtained after DA pretreatment indicated higher COD values (20800-24440 mg/L) as compared to SEA (7800-11400 mg/L) due to lower cellulose recoveries in DAP (54-68\%). SEM analysis of the biomass indicated disrupted regions with multiple pores. FTIR analysis revealed cleavage of lignin side chains, and XRD analysis confirmed the increase in cellulose crystallinity post-pretreatment.

}, keywords = {Lignocellulosic crop residues, Liquid-waste characterization, Particle size, Rice husk biomass, Steam explosion pretreatment}, issn = {2190-6815}, doi = {10.1007/s13399-021-01565-z, Early Access Date = JUN 2021}, author = {Shahabazuddin, Mohmmad and Banuvalli, Bhavana Karibasappa and Mulik, Nagesh and Pande, Ashwini and Bokade, Vijay and Mudliar, Sandeep Narayan} } @article {48978, title = { Comparative study of the correlation between the structure and the dynamics for systems interacting via attractive and repulsive potentials}, journal = {Journal of Chemical Physics }, volume = {159}, year = {2023}, month = {SEP }, type = {Article}, abstract = {

We present the study of the structure-dynamics correlation for systems interacting via attractive Lennard-Jones (LJ) and its repulsive counterpart, the Weeks-Chandler-Andersen (WCA) potentials. The structural order parameter (SOP) is related to the microscopic mean-field caging potential. At a particle level, the SOP shows a distribution. Although the two systems have similar pair structures, their average SOP differs. However, this difference alone is insufficient to explain the well known slowing down of the dynamics in the LJ system at low temperatures. The slowing down can be explained in terms of a stronger coupling between the SOP and the dynamics. To understand the origin of this system specific coupling, we study the difference in the microscopic structure between the hard and soft particles. We find that for the LJ system, the structural differences of the hard and soft particles are more significant and have a much stronger temperature dependence compared to the WCA system. Thus, the study suggests that attractive interaction creates more structurally different communities. This broader difference in the structural communities is probably responsible for stronger coupling between the structure and dynamics. Thus, the system specific structure-dynamics correlation, which also leads to a faster slowing down in the dynamics, appears to have a structural origin. A comparison of the predictive power of our SOP with the local energy and two body excess entropy in determining the dynamics shows that in the LJ system, the enthalpy plays a dominant role and in the WCA system, the entropy plays a dominant role, and our SOP can capture both these contributions.

}, issn = {0021-9606}, doi = {10.1063/5.0165417}, author = {Sharma, Mohit and Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {48687, title = {On the competition between six-membered and five-membered NHC towards alane centered ring expansion}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUL}, pages = {8540-8543}, type = {Article}, abstract = {

The combination of 6-SIDipp center dot AlH3 (1) and 5-IDipp resulted in the ring expansion of 6-NHC, while the five-membered NHC remained unchanged, which was subsequently explained by DFT studies. Besides, the substitution chemistry of 1 was also studied with TMSOTf and I-2, which gave rise to the substitution of a hydride by triflate or iodide ligands.

}, issn = {1359-7345}, doi = {10.1039/d3cc02063k}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Ravindranathan, Sapna and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {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 {47596, title = {Comprehensive review on catalytic O-alkylation of phenol and hydroquinone}, journal = {Catalysis Reviews-Science and Engineering}, volume = {65}, year = {2023}, month = {APR}, pages = {455-500}, type = {Review}, abstract = {

The alkylation process involves two competitive paths of O- and C-alkylation and achieving better selectivity for desired products is a very challenging problem. The development of new process for synthesis of O-methylated products of phenol and dihydric phenols is a subject of high industrial and academic interest. Alkyl phenyl ethers, especially anisole and 4-methoxyphenol, have captivated significant interest due to their increasing applications in pharmaceutical industries. The main emphasis of the present review is to explore the recent development in two catalytic O-alkylation processes. The first process is O-methylation of phenol into anisole and another is selective mono O-methylation of hydroquinone into 4-methoxyphenol. The present article covers O-alkylation methods with methanol and dimethyl carbonate as alkylating agent over various acidic and basic catalytic systems. The catalyst systems analyzed involves Bronsted and Lewis acidic and basic ionic liquids, conventional acids, metal oxides, solid acid and basic catalysts, hydrotalcites, various zeolites and heteropolyacids. The mechanistic behavior of alkylation reactions in presence of different catalytic system is reviewed critically which is important to design new and/or modified catalyst in order to maximize the yield of desired product. Additionally, an influence of reaction parameters, role of catalyst and their active sites on product distribution is described. The review paper gives useful insight for researchers in the field of catalysis and reaction engineering of alkylation reactions. Understandings of the reaction pathways will help in developing reliable kinetic models necessary for process scale-up to industrial scale reactor system.

}, keywords = {Dimethyl carbonate, Hydroquinone, Methanol, O-alkylation, phenol}, issn = {0161-4940}, doi = {10.1080/01614940.2021.1930490}, author = {Bhongale, Priyanka and Joshi, Sunil and Mali, Nilesh} } @article {48985, title = {Comprehensive study on solomonamides: total synthesis, stereochemical revision, and SAR studies toward identification of simplified lead}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {DEC }, pages = {17088-17133}, type = {Article}, abstract = {

Solomonamides, a pair of macrocyclic peptide natural products originating from marine sources, have garnered significant attention within the synthetic community owing to their marked anti-inflammatory efficacy and intricate molecular architectures. In this paper, we present a very detailed investigation into solomonamides, including the challenges associated with the total synthesis, the evolution of our synthetic strategies, structural reassignment, synthesis of all possible stereoisomeric macrocycles, biological assessment, structure-activity relationship (SAR) studies, etc. Within the ambit of this total synthesis, diverse strategies for macrocyclization were rigorously explored, encompassing the Friedel-Crafts acylation, cyclization involving the aniline NH2 moiety, macrolactamization utilizing Gly-NH2, and Heck macrocyclization methodologies. In addition, an array of intriguing chemical transformations were devised, including but not limited to photo-Fries rearrangement, Wacker oxidation, ligand-free Heck macrocyclization, oxidative cleavage of indole, synthesis of contiguous stereocenters via substrate/reagent-controlled protocols, and simultaneous making and breaking of olefinic moieties. The findings of this investigation revealed a structurally simplified lead compound. Remarkably, the lead compound, while possessing structural simplification in comparison to the intricate solomonamide counterparts, demonstrates equipotent in vivo anti-inflammatory efficacy.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01987}, author = {Jachak, Gorakhnath R. and Kashinath, K. and Vasudevan, N. and Athawale, Paresh R. and Choudhury, Rahul and Dange, Santoshkumar S. and Agarwal, Heena and Barthwal, Manoj Kumar and Reddy, D. Srinivasa} } @article {48263, title = {Controlled reduction of isocyanates to formamides using monomeric magnesium}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB}, pages = {2255-2258}, type = {Article}, abstract = {

This work describes a transition metal-free methodology involving an efficient and controlled reduction of isocyanates to only formamide derivatives using pinacolborane (HBpin) as the hydrogenating agent and a bis(phosphino)carbazole ligand stabilized magnesium methyl complex (1) as the catalyst. A large number of substrates undergo selective hydroboration and give exclusively N-boryl formamides.

}, issn = {1359-7345}, doi = {10.1039/d3cc00036b}, author = {Kumar, Rohit and Sharma, Vishal and Banerjee, Subhrashis and Vanka, Kumar and Sen, Sakya S.} } @article {48745, title = {Covalent organic framework cladding on peptide-amphiphile-based biomimetic catalysts}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JUN }, pages = {12793-12801}, type = {Article}, abstract = {

Peptide-based biomimetic catalysts are promising materialsforefficient catalytic activity in various biochemical transformations.However, their lack of operational stability and fragile nature innon-aqueous media limit their practical applications. In this study,we have developed a cladding technique to stabilize biomimetic catalystswithin porous covalent organic framework (COF) scaffolds. This methodologyallows for the homogeneous distribution of peptide nanotubes insidethe COF (TpAzo and TpDPP) backbone, creating strong noncovalent interactionsthat prevent leaching. We synthesized two different peptide-amphiphiles,C10FFVK and C10FFVR, with lysine (K) and arginine(R) at the C-termini, respectively, which formed nanotubular morphologies.The C10FFVK peptide-amphiphile nanotubes exhibit enzyme-likebehavior and efficiently catalyze C-C bond cleavage in a buffermedium (pH 7.5). We produced nanotubular structures of TpAzo-C10FFVK and TpDPP-C10FFVK through COF claddingby using interfacial crystallization (IC). The peptide nanotubes encasedin the COF catalyze C-C bond cleavage in a buffer medium aswell as in different organic solvents (such as acetonitrile, acetone,and dichloromethane). The TpAzo-C10FFVK catalyst,being heterogeneous, is easily recoverable, enabling the reactionto be performed for multiple cycles. Additionally, the synthesis ofTpAzo-C10FFVK thin films facilitates catalysis inflow. As control, we synthesized another peptide-amphiphile, C10FFVR, which also forms tubular assemblies. By depositingTpAzo COF crystallites on C10FFVR nanotubes through IC,we produced TpAzo-C10FFVR nanotubular structuresthat expectedly did not show catalysis, suggesting the critical roleof the lysines in the TpAzo-C10FFVK.

}, issn = {0002-7863}, doi = {10.1021/jacs.3c03562}, author = {Kumar Mahato, Ashok and Pal, Sumit and Dey, Kaushik and Reja, Antara and Paul, Satyadip and Shelke, Ankita and Ajithkumar, Thalasseril G. and Das, Dibyendu and Banerjee, Rahul} } @article {48833, title = {Covalent organic framework thin-film photodetectors from solution-processable porous nanospheres}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JAN}, pages = {1649-1659}, type = {Article}, abstract = {

The synthesis of homogeneous covalent organic framework (COF) thin films on a desired substrate with decent crystallinity, porosity, and uniform thickness has great potential for optoelectronic applications. We have used a solution-processable sphere transmutation process to synthesize 300 +/- 20 nm uniform COF thin films on a 2 x 2 cm2 TiO2-coated fluorine-doped tin oxide (FTO) surface. This process controls the nucleation of COF crystallites and molecular morphology that helps the nanospheres to arrange periodically to form homogeneous COF thin films. We have synthesized four COF thin films (TpDPP, TpEtBt, TpTab, and TpTta) with different functional backbones. In a close agreement between the experiment and density functional theory, the TpEtBr COF film showed the lowest optical band gap (2.26 eV) and highest excited-state lifetime (8.52 ns) among all four COF films. Hence, the TpEtBr COF film can participate in efficient charge generation and separation. We constructed optoelectronic devices having a glass/FTO/TiO2/COF-film/Au architecture, which serves as a model system to study the optoelectronic charge transport properties of COF thin films under dark and illuminated conditions. Visible light with a calibrated intensity of 100 mW cm-2 was used for the excitation of COF thin films. All of the COF thin films exhibit significant photocurrent after illumination with visible light in comparison to the dark. Hence, all of the COF films behave as good photoactive substrates with minimal pinhole defects. The fabricated out-of-plane photodetector device based on the TpEtBr COF thin film exhibits high photocurrent density (2.65 +/- 0.24 mA cm-2 at 0.5 V) and hole mobility (8.15 +/- 0.64 x10-3 cm2 V-1 S-1) compared to other as synthesized films, indicating the best photoactive characteristics.

}, issn = {0002-7863}, doi = {10.1021/jacs.2c09838}, author = {Bag, Saikat and Sasmal, Himadri Sekhar and Chaudhary, Sonu Pratap and Dey, Kaushik and Blaette, Dominic and Guntermann, Roman and Zhang, Yingying and Poloz, Miroslav and Kuc, Agnieszka and Shelke, Ankita and Vijayaraghavan, Ratheesh K. and Ajithkumar, Thalasseril G. and Bhattacharyya, Sayan and Heine, Thomas and Bein, Thomas and Banerjee, Rahul} } @article {48261, title = {Covalently interconnected layers in g-C3N4: toward high mechanical stability, catalytic efficiency and sustainability}, journal = {Applied Catalysis B: Environmental}, volume = {322}, year = {2023}, month = {MAR}, pages = {122069}, type = {Article}, abstract = {

The grim prospects for the industrial utilization of g-C3N4 nanosheets arise from multi-step processing resulting in low material yields and poor visible light response due to quantum confinement. Herein, we introduce a strategy for linking the adjacent layers of g-C3N4 covalently to realize a high surface area without excess mass loss in a one-step process by introducing diethylene glycol as a precursor that produces-(CH2)2-O-(CH2)2-linkers in-situ. Their presence increases interlayer spacing and introduces surface curvatures, discouraging the stacking of a larger number of layers to produce nanosheets with-3 times higher surface area. Interestingly, unlike other layered materials, the linkers also provide extraordinary mechanical stability against exfoliating forces. In addition, the process instills sub-bandgap states and a considerable visible light response at 500 nm to slow down the picosecond exciton recombination dynamics, resulting in-5 times enhancement in H2 generation efficiency from photocatalytic water-splitting over the bulk sample.

}, keywords = {Layer-linkers, Sustainable synthesis, Transient absorption spectroscopy, water-splitting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.122069}, author = {Roy, Raj Sekhar and Mondal, Sanjit and Mishra, Samita and Banoo, Maqsuma and Sahoo, Lipipuspa and Kumar, Amit and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {48300, title = {Design and synthesis of 1,3-diynes as potent antifungal agents against aspergillus fumigatus}, journal = {ChemMedChem}, volume = {18}, year = {2023}, month = {MAY }, type = {Article}, abstract = {

Eugenol and isoeugenol, secondary metabolites isolated from the plant Myristica fragrans have displayed antifungal activities against Aspergillus fumigatus (IC50 1900 mu M). Compounds having conjugated unsaturation have been of great use as antifungals i. e. amphotericin B, nystatin and terbinafine etc. Hence, in the present study, we have designed and synthesised 1,3-diynes by utilizing Glaser-Hay and Cadiot-Chodkiewicz coupling reactions to furnish possible antifungal agents. Synthesis of 1,6-diphenoxyhexa-2,4-diyne derivatives was achieved by Cu(I) catalysed coupling of propargylated eugenol, isoeugenol, guaiacol, vanillin and dihydrogenated eugenol or eugenol in good to excellent yields. All the synthesized compounds were evaluated against pathogenic fungus A. fumigatus. Among all the synthesized compounds, one of the compounds was found to be exhibiting promising antifungal activity with IC50 value of 7.75 mu M thereby suggesting that this type of scaffold could pave the way for developing new antifungal agents. The most active compound was found to be low cytotoxic when assayed against L-132 cancer cell line. Effect of the most active compound on ergosterol biosynthesis has also been studied. Also, the most active compound exhibited significant anti-biofilm activity although the concentration was found to be higher than its anti-fungal activity. Morphological changes in the biofilm were remarkable under confocal laser scanning microscopy.

}, keywords = {1, 3-Diynes, Antifungal agents, Aspergillus fumigatus, Cadiot-Chodkiewicz, Glaser-Hay}, issn = {1860-7179}, doi = {10.1002/cmdc.202300013}, author = {Goswami, Lakshmi and Gupta, Lovely and Paul, Sayantan and Vijayaraghavan, Pooja and Bhattacharya, Asish K.} } @article {49145, title = {Design and synthesis of novel quinazolinyl-bisspirooxindoles as potent anti-tubercular agents: an ultrasound-promoted methodology}, journal = {Molecular Diversity }, volume = {27}, year = {2023}, month = {JUN}, pages = {1427-1436}, type = {Article}, abstract = {

The essential need for the potent anti-tubercular (anti-TB) agents with high selectivity and safety profile prompted us to synthesize a new series of quinazolinyl-bisspirooxindoles. The title compounds were synthesized by one-pot multicomponent [3 +2] cycloaddition reaction under ultrasonication. Further, in vitro anti-TB activity was evaluated against Mycobacterium tuberculosis H37Rv. Among the screened compounds, two compounds (4q and 4x) showed potent activity with MIC value 1.56 mu g/mL and four compounds exhibited significant activity (MIC =3.125 mu g/mL), and also cytotoxicity studies against RAW 264.7 cell lines reveal that most active compounds were less toxic to humans. In addition, in order to demonstrate the inhibitory properties, molecular docking studies were carried out and the results showed that the target compounds have good binding energy and better binding affinity within the active pocket, thus these compounds may consider to be as potent inhibitors toward selective targets.

}, keywords = {anti-tubercular activity, bisspirooxindoles, Cytotoxicity screening, Molecular docking studies, ultrasonication}, issn = {1381-1991}, doi = {10.1007/s11030-022-10500-x}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Rekha, Estharla Madhu and Sriram, Dharmarajan and Krishna, Gamidi Rama} } @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 {48915, title = {Development of multipurpose biomass-derived adsorbents using Coccinia grandis for removal of contaminants}, journal = {Clean Technologies and Environmental Policies }, volume = {25}, year = {2023}, month = {DEC}, pages = {3393-3405}, type = {Article}, abstract = {

The present study is an attempt to develop newer multipurpose biomass-derived adsorbents for water and wastewater treatment; biomass that are easily available, renewable and most importantly, sustainable. A model adsorbent was developed using Coccinia grandis (CG, Ivy gourd) and further modified by impregnating copper nanoparticles (CG-Cu). The adsorbent characterization was done for evaluating surface morphology, surface area and metal modification. The utility of the newer adsorbents was established for the removal of different contaminants such as dyes (cationic Malachite Green, anionic Congo Red and fluorescent cationic Rhodamine B), Active Pharmaceutical Ingredient pollutant (Ciprofloxacin) and also for the removal of pathogenic bacteria, Gram-negative Escherichia coli. Both CG and CG-Cu bio-nanocomposite were highly effective in removal of different contaminants, 99\% dye removal for Malachite Green, with a high adsorption capacity of 49 mg/g, higher than that for commercial activated charcoal whereas for all other dyes, the performance of CG-Cu was similar. The isotherm studies indicated multilayer adsorption, in general. A good adsorption capacity of 10.8 mg/g was also observed for the removal of ciprofloxacin. The combined effect of the bio-nanocomposite, CG-Cu was impressive and 100\% disinfection was achieved within 10 min, due to the antimicrobial activity of Cu and oxidation effect of reactive oxygen species enhancing the disinfection.Graphical abstractMultipurpose biomass derived adsorbents using Coccinia grandis for removal of contaminants

}, keywords = {Adsorption, Biomass, Disinfection, dye removal, nanomaterial, Separation}, issn = {1618-954X}, doi = {10.1007/s10098-023-02598-w}, author = {Raj, Surabhi S. and Mane, Maya B. and Thanekar, Pooja and Balapure, Kshama and Bhandari, Vinay M.} } @article {48741, title = {Direct conversion of N-acetyl-d-glucosamine to N-containing heterocyclic compounds 3-acetamidofuran and 3-acetamido-5-acetyl Furan}, journal = {Waste and Biomass Valorization}, volume = {14}, year = {2023}, month = {DEC}, pages = {4201-4214}, type = {Article}, abstract = {

Purpose Effectual waste utilization from plant as well as marine biomass has gained tremendous importance with reference to sustainability. The valorization of marine biomass produces value added compounds containing not only C, H, O but also renewable N atom in the skeleton which widens the scope for its exploration which may prove to be economically beneficial to the society. Heterogeneous catalytic transformation of marine biomass i.e. N-acetyl glucosamine (NAG) to N-substituted aromatic heterocyclic furan derivatives is reported for the very first time. Cost effective and stable metal oxide catalysts were deployed for the transformation. Catalyst screening study showed that La2O3 was found to be an excellent catalyst for N-acetyl glucosamine (NAG) dehydration which mainly produced 3-acetamidofuran (3AF). Methods The physicochemical properties of the metal oxide catalyst were investigated by various techniques such as XRD, FTIR, MeOH-FTIR, TPD, SEM, N-2 sorption studies and HR-TEM analysis for structure activity relationship. Results The effect of various reaction parameters such as catalyst concentration, reaction temperature, reaction time and solvent effect on dehydration of N-acetyl glucosamine has been studied in detail for higher yields. The results revealed that the presence of weak basic sites which are Bronsted in nature and nano pores present on the surface were responsible for improved dehydration of the chitin biomass to selectively yield 3-acetamidofuran (3AF). La2O3 catalyst showed optimum 50\% 3AF yield from N-acetyl glucosamine at 180 degrees C in 3 h. Conclusion Efficacious exploitation of marine biomass to value added chemicals using heterogeneous catalysts can be extensively exploited. Separation of N-substituted heterocyclic aromatics is the most innovative aspect of the current study. Thus, utilization of heterogeneous catalyst and renewable biomass as a raw material indicates a transition towards more sustainable and greener approach.{GRAPHICAL ABSTRACT

}, keywords = {3-acetamido-5-acetylfuran, 3-acetamidofuran, dehydration, heterogeneous catalysis, Lanthanum oxide, N-acetyl-D-glucosamine, renewable feedstock}, issn = {1877-2641}, doi = {10.1007/s12649-023-02127-2}, author = {Shaikh, Samrin S. and Patil, Chetana R. and Lucas, Nishita and Bokade, Vijay V. and Rode, Chandrashekhar V.} } @article {48990, title = {Discovery of SARS-CoV-2 inhibitors featuring novel histidine α-nitrile motif}, journal = {Chemistry and Biodiversity }, volume = {20}, year = {2023}, month = {DEC}, type = {Article}, abstract = {

As COVID-19 infection caused severe public health concerns recently, the development of novel antivirals has become the need of the hour. Main protease (Mpro) has been an attractive target for antiviral drugs since it plays a vital role in polyprotein processing and virus maturation. Herein we report the discovery of a novel class of inhibitors against the SARS-CoV-2, bearing histidine alpha-nitrile motif embedded on a simple dipeptide framework. In-vitro and in-silico studies revealed that the histidine alpha-nitrile motif envisioned to target the Mpro contributes to the inhibitory activity. Among a series of dipeptides synthesized featuring this novel structural motif, some dipeptides displayed strong viral reduction (EC50=0.48 mu M) with a high selectivity index, SI\>454.54. These compounds also exhibit strong binding energies in the range of -28.7 to -34.2 Kcal/mol. The simple dipeptide structural framework, amenable to quick structural variations, coupled with ease of synthesis from readily available commercial starting materials are the major attractive features of this novel class of SARS-CoV-2 inhibitors. The histidine alpha-nitrile dipeptides raise the hope of discovering potent drug candidates based on this motif to fight the dreaded SARS-CoV-2.

}, keywords = {dipeptide inhibitors, histidine alpha-nitrile, M-pro (main protease), molecular dynamics, SARS-CoV-2}, issn = {1612-1872}, doi = {10.1002/cbdv.202300957}, author = {Gone, Nilu Vijay and Enayathullah, Mohammed Ghalib and Thomas, Jessie and Rathee, Parth and Prabhakar, Rajeev and Bokara, Kiran Kumar and Sanjayan, Gangadhar J.} } @article {48951, title = {Distortion-induced interfacial charge transfer at single cobalt atom secured on ordered intermetallic surface enhances pure oxygen production}, journal = {ACS Nano}, volume = {17}, year = {2023}, month = {NOV }, pages = {23169-23180}, type = {Journal Article}, abstract = {

In this work, atomic cobalt (Co) incorporation into the Pd2Ge intermetallic lattice facilitates operando generation of a thin layer of CoO over Co-substituted Pd2Ge, with Co in the CoO surface layer functioning as single metal sites. Hence the catalyst has been titled Co-1-CoO-Pd2Ge. High-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy confirm the existence of CoO, with some of the Co bonded to Ge by substitution of Pd sites in the Pd2Ge lattice. The role of the CoO layer in the oxygen evolution reaction (OER) has been verified by its selective removal using argon sputtering and conducting the OER on the etched catalyst. In situ X-ray absorption near-edge structure and extended X-ray absorption fine structure spectroscopy demonstrate that CoO gets transformed to CoOOH (Co3+) in operando condition with faster charge transfer through Pd atoms in the core Pd2Ge lattice. In situ Raman spectroscopy depicts the emergence of a CoOOH phase on applying potential and shows that the phase is stable with increasing potential and time without getting converted to CoO2. Density functional theory calculations indicate that the Pd2Ge lattice induces distortion in the CoO phase and generates unpaired spins in a nonmagnetic CoOOH system resulting in an increase in the OER activity and durability. The existence of spin density even after electrocatalysis is verified from electron paramagnetic resonance spectroscopy. We have thus successfully synthesized intermetallic supported CoO during synthesis and rigorously verified the role played by an intermetallic Pd2Ge core in enhancing charge transfer, generating spin density, improving electrochemical durability, and imparting mechanical stability to a thin CoOOH overlayer. Differential electrochemical mass spectrometry has been explored to visualize the instantaneous generation of oxygen gas during the onset of the reaction.

}, keywords = {DEMS, interfacial charge transfer, Intermetallic, long-termstability, operando spectroscopic techniques, Oxygen Evolution Reaction, structuraldistortion}, issn = {1936-0851}, doi = {10.1021/acsnano.3c09680}, author = {Mondal, Soumi and Riyaz, Mohd and Bagchi, Debabrata and Dutta, Nilutpal and Singh, Ashutosh Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48722, title = {Divergent synthesis of oxepino-phthalides and [5,5]-oxaspirolactones through [2+2+2]- and [2+3]-annulation of alkynyl alcohols with a-ynone-esters}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {AUG }, pages = {12597-12612}, type = {Article}, abstract = {

Unmasking the synthetic potential of alkyne functional group of alkynyl alcohols as surrogates of carbonyl compounds, herein we present the first Bronsted acid (TfOH)-catalyzed [2 + 2 + 2]-annulation of 4-pentyn-1-ols (possessing terminal alkyne) with a-ynone-esters to access tricyclic tetrahydro-oxepino-phthalides. Besides, an unprecedented synthesis of a-acetoaryl or a-alkynyl [5,5]-oxaspirolactones has been demonstrated by employing 4-pentyn-1-ols (possessing an internal alkyne) as an annulation partner, which proceeds through a divergent [2 + 3]-annulation pathway.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01301}, author = {Kambale, Digambar A. and Borade, Balasaheb R. and Vinodkumar, Ramavath and Kontham, Ravindar} } @article {48705, title = {Does variation in composition affect dynamics when approaching the eutectic composition?}, journal = {Journal of Chemical Physics}, volume = {158}, year = {2023}, month = {MAR}, pages = {114203}, type = {Article}, abstract = {

Deep eutectic solvent is a mixture of two or more components, mixed in a certain molar ratio, such that the mixture melts at a temperature lower than individual substances. In this work, we have used a combination of ultrafast vibrational spectroscopy and molecular dynamics simulations to investigate the microscopic structure and dynamics of a deep eutectic solvent (1:2 choline chloride: ethylene glycol) at and around the eutectic composition. In particular, we have compared the spectral diffusion and orientational relaxation dynamics of these systems with varying compositions. Our results show that although the time-averaged solvent structures around a dissolved solute are comparable across compositions, both the solvent fluctuations and solute reorientation dynamics show distinct differences. We show that these subtle changes in solute and solvent dynamics with changing compositions arise from the variations in the fluctuations of the different intercomponent hydrogen bonds.

}, issn = {0021-9606}, doi = {10.1063/5.0139153}, author = {Chatterjee, Srijan and Chowdhury, Tubai and Bagchi, Sayan} } @article {48771, title = {Donor strapped perylene bisimide macrocycle and its lemniscate dimer with extended charge separation}, journal = {Inorganic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {OCT }, pages = {5099-5107}, type = {Article}, abstract = {

Macrocyclic structures are fascinating due to their unique design and capability to place chromophores in specific orientations, resulting in exciting optoelectronic properties. However, the synthetic challenges limit the broad exploration of such systems. Herein, we report a thiophene-diacetylene-based ring strapped perylene bisimide macrocycle and its notably different electron transfer features. Single-crystal analysis of the macrocycle pointed to the nearly orthogonal placement of donor-acceptor units, facilitating better electronic communication between them. Interestingly, introduction of an alkyl substituent on the peripheral thiophene ring opened the possibility of forming a higher oligomer macrocycle consisting of two strapped perylene bisimide units. Diffusion and two-dimensional NMR experiments provided insight into the structure of the figure-eight-shaped lemniscate dimer. Transient absorption measurements showed faster electron transfer and extended stabilization of the charge-separated state. The thiophene-diacetylene-based ring is a better donor unit to facilitate rapid electron transfer and extended charge separation in the macrocycle and its lemniscate dimer. The new macrocycle design enables the formation of higher analogs equally capable of stabilizing the charge-separated state. Donor-acceptor (D-A) macrocycle designs position the respective units to achieve ultrafast electron transfer precisely and an extended charge-separated state. Here, we report a D-A macrocycle and its lemniscate dimer molecule with exciting electron transfer features.

}, issn = {2052-4129}, doi = {10.1039/d3qo01060k}, author = {Veer, Sairam Dnyaneshwar and Goswami, Tanmay and Ravindranathan, Sapna and Gonnade, Rajesh and Kharbanda, Nitika and Ghosh, Hirendra N. and Babu, Sukumaran Santhosh} } @article {48734, title = {Donor-acceptor-based two-dimensional polymer as a supercapacitor electrode with long cycling stability}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {OCT }, pages = {18049-18054}, type = {Article}, abstract = {

The high demand for energy and energy-storage devices urged organic 2D polymers as a potential candidate in this area. One of the major attractions of 2D polymers in electrochemical applications is their long cycling stability due to their rigid and porous structure. Herein, we developed a 2D polymer comprised of donor-acceptor units exhibiting reasonably good performance as a supercapacitor. The 2D polymer displayed a maximum specific capacitance of 218 F g-1 at a current rate of 0.1 A g-1, a higher power density of 4648.35 W kg-1, and an energy density of 7.05 W h kg-1. In a cycling stability test, it demonstrated a capacitance retention of 70\% over 10 000 continuous charge-discharge cycles at a current rate of 2.5 A g-1. Such long cycling stability was attributed to the donor-acceptor units and the crystalline nature of the polymer. The sensible selection of the building blocks of the 2D polymers is crucial for the performance and hence provides scope for improvement. An organic donor-acceptor-based 2D polymer, a promising candidate for energy storage devices, displays a specific capacitance of 218 F g-1, a power density of 4648.35 W kg-1, an energy density of 7.05 W h kg-1, and a capacitance retention of 70\% over 10 000 cycles.

}, issn = {1144-0546}, doi = {10.1039/d3nj02510a}, author = {Bhagyasree, T. M. and Puthiyaveetil, Priyanka Pandinhare and Kumar, Viksit and Asokan, Kiran and Sreekumar, K. and Babu, Sukumaran Santhosh} } @article {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 {48675, title = {Dynamic heterogeneity in polydisperse systems: a comparative study of the role of local structural order parameter and particle size}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {JUL}, pages = {044501}, type = {Article}, abstract = {

In polydisperse systems, describing the structure and any structural order parameter (SOP) is not trivial as it varies with the number of species we use to describe the system, M. Depending on the degree of polydispersity, there is an optimum value of M = M-0 where we show that the mutual information of the system increases. However, surprisingly, the correlation between a recently proposed SOP and the dynamics is highest for M = 1. This effect increases with polydispersity. We find that the SOP at M = 1 is coupled with the particle size, s, and this coupling increases with polydispersity and decreases with an increase in M. Careful analysis shows that at lower polydispersities, the SOP is a good predictor of the dynamics. However, at higher polydispersity, the dynamics is strongly dependent on s. Since the coupling between the SOP and s is higher for M = 1, it appears to be a better predictor of the dynamics. We also study the Vibrality, an order parameter independent of structural information. Compared to SOP, at high polydispersity, we find Vibrality to be a marginally better predictor of the dynamics. However, this high predictive power of Vibrality, which is not there at lower polydispersity, appears to be due to its stronger coupling with s. Therefore, our study suggests that for systems with high polydispersity, the correlation of any order parameter and s will affect the correlation between the order parameter and dynamics and need not project a generic predictive power of the order parameter.

}, issn = {0021-9606}, doi = {10.1063/5.0156794}, author = {Patel, Palak and Sharma, Mohit and Bhattacharyya, Sarika Maitra} } @article {48257, title = {Effect of acidity and mesoporosity in H-USY on conversion of wheat straw to ethyl levulinate (Biofuel additive)}, journal = {Journal of the Indian Chemical Society}, volume = {100}, year = {2023}, month = {FEB}, pages = {100883}, type = {Article}, abstract = {

Cold flow properties of biodiesel can be improved by addition of additives especially ethyl levulinate (EL up to 20\%). There are very limited information on synthesis of EL from actual raw biomass like wheat straw over heterogeneous catalyst. The present article elaborated on optimization of Acidity to Mesoporosity ratio in H-USY, which is crucial for its application in conversion of raw wheat straw to selective formation of EL in one-step. The acidity and mesoporosity is monitor by systematic post treatment of desilication and dealumination. Optimum acidity/mesoporosity ratio of 3.6 in HUSY resulted in to maximum EL yield of 24.5\%, which is probably the highest so far.

}, keywords = {Acidity, Biofuel additive, Dealumination, Desilication, ethyl levulinate, H-USY, Mesoporosity, Wheat straw}, issn = {0019-4522}, doi = {10.1016/j.jics.2023.100883}, author = {Heda, Jidnyasa and Niphadkar, Prashant and Nandanwar, Sachin and Bokade, Vijay} } @article {48294, title = {Efficient and convenient heterogeneous Cu/MCM-41 catalyst for the synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives}, journal = {Research on Chemical Intermediates}, volume = {49}, year = {2023}, month = {APR}, pages = {1581-1600}, type = {Article}, abstract = {

An efficient and convenient method for synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives using Cu/MCM-41 (20 mg) as heterogeneous catalyst. The advantages have an excellent product yield within a short time and easy work-up procedure, and the products have directly recrystallized from hot methanol with cost-effective catalyst. One-pot three-component reaction from aromatic aldehydes, cyclic 1,3-dicarbonyl compounds, and 1-naphthyl amine has been carried under ethanol as a solvent with reflux condition. Moreover, the catalyst can be recovered conveniently and reused efficiently, and recyclable. [GRAPHICS] .

}, keywords = {Benzo[c]acridine, dimedone, Heterogeneous Cu/MCM-41 catalyst, Multicomponent one-pot reaction}, issn = {0922-6168}, doi = {10.1007/s11164-023-04962-3}, author = {Dhengale, Shankar D. and Bhosale, Tanaji R. and Shinde, Sachin B. and Rode, Chandrashekhar V. and Kolekar, Govind B. and Anbhule, Prashant V.} } @article {48949, title = {Electrocatalytic hydrogen evolution mediated by an organotelluroxane macrocycle stabilized through secondary interactions}, journal = {Dalton Transaction }, volume = {52}, year = {2023}, month = {NOV }, pages = {17242-17248}, type = {Journal Article}, abstract = {

A discrete liphophilic organotelluroxane macrocycle has been found to catalyse the hydrogen evolution reaction (HER) by proton reduction efficiently. The macrocycle is synthesized via chloride abstraction from bis(p-methoxyphenyl) tellurium dichloride (p-MeOC6H5)2TeCl2 (1) by silver salts AgMX4 (MX4 = BF4-, and ClO4-) resulting in in situ generated di-cationic tetraorganoditelluroxane units; two such units are held together by two weak anions mu 2-MX4, bridging to form 12-membered di-cationic macrocycles [((p-MeO-C6H4)2Te)2(mu-O)(mu 2-F2BF2)2]2+ (2) and [((p-MeO-C6H4)2Te)2(mu-O)(mu 2-O2ClO2)2]2+ (3) stabilized via Te-(mu 2-BF4/ClO4), with secondary interactions. The charge is balanced by the presence of two more anions, one above and another below the plane of the macrocycle. Similar reaction at higher temperatures leads to the formation of telluronium salts R3TeX [X = BF4- (4), ClO4- (5)] as a major product. The BF4- anion containing macrocycle and telluronium salt were monitored using 19F NMR. HRMS confirmed the structural stability of all the compounds in the solution state. The organotelluroxane macrocycle 2 has been found to act as an efficient electrocatalyst for proton reduction in an organic medium in the presence of p-toluene sulfonic acid as a protic source. A discrete liphophilic organotelluroxane macrocycle has been found to catalyse hydrogen evolution reaction (HER) by proton reduction efficiently.

}, keywords = {Anion Transport, Proton-Reduction}, issn = {1477-9226}, doi = {10.1039/d3dt02746e}, author = {Narsimhulu, Gujju and Samuel, Calvin and Palani, Sathishkumar and Dasari, Sai Hemant Kumar and Krishnamoorthy, Kothandam and Baskar, Viswanathan} } @article {48327, title = {Electrocatalytic nitrogen reduction on defective graphene modulated from single atom catalyst to aluminium clusters}, journal = {Applied Surface Science}, volume = {623}, year = {2023}, month = {JUN }, pages = {157024}, type = {Article}, abstract = {

Density Functional Theory (DFT) investigation on the most earth-abundant Al-based catalysts, has been conducted detailing its electronic properties and catalytic efficacy for nitrogen reduction at ambient condition. The Al-based catalysts have been modulated to perform as par a highly performing, but rare, Ru-single atom catalytic center by varying number of Al atoms, shape, and size. The coalesce of band-center, work function and electronic properties in metal atom catalysts along with N-N bond activation has been demonstrated to be responsible for an efficient nitrogen reduction reaction (NRR) with Delta Gmax of 0.78 eV in Al5 supported on N-doped double vacancy graphene (Al5@N4-DVG) catalyst. Electron localization function analysis has shown a weak physisorption of N2 in the Al-based catalysts. Projected Density of States (PDOS) illustrates the enhancement of aluminium electron density in Al5@N4-DVG led to enhanced orbital densities overlap of Alp and Np electrons. The Bader charge analysis and electronic analysis of the intermediates show efficient electron gain on the N atoms, leading to formation of NH3 from the NxHy intermediates in Al5@N4-DVG catalyst.

}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2023.157024}, author = {Maibam, Ashakiran and Krishnamurty, Sailaja and BabaRao, Ravichandar} } @article {48676, title = {Electrode|electrolyte interface enhancement in quasi-solid-state zinc-air batteries through an anion conducting polymer electrolyte interlayer by in situ polymerization}, journal = {Journal of Materials Chemistry A}, volume = {11}, year = {2023}, month = {JUL}, pages = {14776-14787}, type = {Article}, abstract = {

This work introduces a novel concept of electrode|electrolyte interface enhancement using an ultraviolet (UV) light-assisted in situ polymerization strategy to improve the performance of quasi-solid-state zinc-air batteries (ZABs). The suitability of the UV polymerization strategy to process a mechanically stable OH- conducting anion exchange polymer electrolyte membrane (AEPEM) reinforced by a glass fiber (GF) separator is also reported. The in situ polymerized ionomer-skin/interlayer (a thin anion-conducting polymer coating over the air-cathode of ZAB) acts as a buffer layer to narrow down the performance gap generally observed between ZABs possessing quasi-solid-state electrolytes and standard liquid electrolytes, respectively. For instance, when combined with the in situ polymerization strategy, a rechargeable ZAB (rZAB) based on an AEPEM-GF composite membrane delivered a high power density of 140 mW cm(-2), higher than that of the one without an in situ polymerized ionomer interlayer (120 mW cm(-2)). Notably, in a flexible rZAB configuration, this new strategy resulted in enhanced rate capability and cycling stability for 14 h at an operating current density of 2 mA cm(-2).

}, issn = {2050-7488}, doi = {10.1039/d3ta02320f}, author = {Kurian, Maria and Vijayakumar, Vidyanand and Manna, Narugopal and Kanheerampockil, Fayis and Bhat, Suresh and Kurungot, Sreekumar} } @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.} } @article {48836, title = {Emergent stability in complex network dynamics}, journal = {Nature Physics}, volume = {19}, year = {2023}, month = {JUL}, pages = {1033+}, type = {Article}, abstract = {

The stable functionality of networked systems is a hallmark of their natural ability to coordinate between their multiple interacting components. Yet, real-world networks often appear random and highly irregular, raising the question of what are the naturally emerging organizing principles of complex system stability. The answer is encoded within the system{\textquoteright}s stability matrix-the Jacobian-but is hard to retrieve, due to the scale and diversity of the relevant systems, their broad parameter space and their nonlinear interaction dynamics. Here we introduce the dynamic Jacobian ensemble, which allows us to systematically investigate the fixed-point dynamics of a range of relevant network-based models. Within this ensemble, we find that complex systems exhibit discrete stability classes. These range from asymptotically unstable (where stability is unattainable) to sensitive (where stability abides within a bounded range of system parameters). Alongside these two classes, we uncover a third asymptotically stable class in which a sufficiently large and heterogeneous network acquires a guaranteed stability, independent of its microscopic parameters and robust against external perturbation. Hence, in this ensemble, two of the most ubiquitous characteristics of real-world networks-scale and heterogeneity-emerge as natural organizing principles to ensure fixed-point stability in the face of changing environmental conditions. Despite looking highly irregular, most real-world networks exhibit natural stability to external perturbations. A study of the properties of the stability matrix of networks now sheds light on the principles underlying this emerging stability.

}, issn = {1745-2473}, doi = {10.1038/s41567-023-02020-8}, author = {Meena, Chandrakala and Hens, Chittaranjan and Acharyya, Suman and Haber, Simcha and Boccaletti, Stefano and Barzel, Baruch} } @article {48942, title = {Emerging trends in olefin polymerization: a perspective}, journal = {Journal of macromolecular science part A- pure and applied chemistry }, volume = {60}, year = {2023}, month = {NOV}, pages = {731-750}, type = {Article}, abstract = {

The seemingly matured field of olefin polymerization still poses several challenges and holds enormous potential to meet contemporary material requirements. In this feature article, we examine the progress of olefin polymerization in the last two decades. Among the several emerging trends, we identify four most impactful discoveries, namely, (i) disentangled ultra-high molecular weight polyethylene (dUHMWPE), (ii) disubstituted functional olefin copolymerization, (iii) incorporation of bioderived comonomers in polyolefins, and (iv) application of above (ii, iii) functional polyolefins as compatibilizers. The dUHMWPE has attracted significant attention and heterogeneous Ziegler-type catalysts, homogenous metallocene, and post-metallocene catalysts have been reported to produce disentangled ultrahigh molecular weight polyethylene. Insertion copolymerization of difunctional disubstituted olefins has been reported only recently and ortho-phosphinobenzene sulfonate palladium catalyst outperforms the other catalysts. Interestingly, insertion copolymerization of bioderived olefins has witnessed a surge in the number of reports. Sugar and plant oil-derived olefins have been copolymerized with ethylene to obtain relatively hydrophilic polyethylene. The functional polyethylene is finding a new application as compatibilizer or displays better adhesion to surfaces. Thus, the feature article offers a succinct account of emerging trends in polyolefins, identifies the most impactful contributions, and debates the application potential of these new materials.

}, keywords = {compatibilizer, Functional polyethylene, Insertion (co)polymerization, renewable monomers, uHMWPE}, issn = {1060-1325}, doi = {10.1080/10601325.2023.2269971}, author = {Birajdar, Rajkumar S. and Bodkhe, Dnyaneshwar and Gupta, Poonam and Shaikh, Maulali H. and Ramekar, Rohan and Chikkali, Samir H.} } @article {49124, title = {Enantioselective synthesis of (+)-Sedridine, (-)-Allosedridine and their N-Methyl analogs via Maruoka-Keck allylation and CBS reduction}, journal = {Natural Product Research }, volume = {37}, year = {2023}, month = {OCT}, pages = {3388-3394}, type = {Article}, abstract = {

A simple synthetic approach has been developed for the enantioselective total synthesis of (+)-Sedridine, (-)-Allosedridine and their analogs such as (+)-N- Methyl Sedridine and (-)-N-Methylallosedridine. The synthesis was achieved by using commercially available starting materials via Maruoka-Keck allylation, Wacker oxidation, and CBS reduction. The synthetic root provides a good diastereomeric ratio and high yields.

}, keywords = {CBS reduction, Maruoka-Keck allylation, Piperidine, Wacker oxidation}, issn = {1478-6419}, doi = {10.1080/14786419.2022.2076229}, author = {Bhoite, Shubhangi P. and Suryavanshi, Gurunath} } @article {48913, title = {Enhanced degradation of metformin using surface-coated vortex diodes}, journal = {Chemical engineering and processing-process intensification }, volume = {193}, year = {2023}, month = {NOV}, type = {Article}, abstract = {

The present work successfully demonstrates, for the first time, complete degradation of metformin using newer surface-coated vortex diode (SCVD) with copper and nickel coating to provide catalytic activity in the conventional hydrodynamic cavitation (HC) for significantly enhanced degradation efficiency. The SCVDs have dual functionality and the efficacy of catalytic cavitation reactors get enhanced using process intensifications of the type H2O2 addition, pH modification, and combined approach of HC+ pH+ H2O2 apart from the advantage of low pressure drop for the vortex flow based cavitation in vortex diode (Delta P of 1 bar). Complete, 100\%, degradation of metformin (MTF) was achieved within 5 min with integration of optimized H2O2 dose and exceptionally high synergistic index value over 300, indicating extraordinary synergy for both Cu and Ni-SCVD. Acidic condition promote degradation and a complete degradation with a high 43-48\% mineralization was observed using HC+ pH 4+ (1:200) H2O2 with less intermediates formation. The SCVDs reveal remarkable enhancement of similar to 9800\% in per-pass degradation and 1400-3400\% in cavitational yield as compared to conventional cavitation process under similar conditions. The newer SCVDs with catalytic activity can provide more cost-effective solutions for industrial and real-life applications.

}, keywords = {Cavitation, Oxidation, pollution, Technology, Wastewater treatment}, issn = {0255-2701}, doi = {10.1016/j.cep.2023.109572}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48702, title = {Equilibrium adsorption of nitrogen, oxygen, and argon on silver-exchanged hierarchical ETS-10}, journal = {Journal of Chemical and Engineering Data}, volume = {68}, year = {2023}, month = {JUL}, pages = {2159-2172}, type = {Article}, abstract = {

Silver-exchanged hierarchical ETS-10(Ag-H-ETS-10) was synthesizedusing Ag+ exchange with hierarchical Engelhard titanosilicate(H-ETS-10) using silver nitrate solution. The physical propertiesof the adsorbent were analyzed using X-ray diffraction (XRD), BETsurface area, nitrogen adsorption-desorption, pore volume,energy dispersive spectroscopy (EDS), and high resolution-transmissionelectron microscopy (HR-TEM). N-2 physisorption data confirmedthat a micro-mesoporous (bimodal) structure was created in the Ag-H-ETS-10.The equilibrium adsorbent data of pure gases N-2, O-2, and Ar were investigated in the temperature range from 288to 318 K up to 10 bar. The equilibrium adsorption capacity of Ag-H-ETS-10was found to be 1.12 mmol g(-1) for N-2,0.87 mmol g(-1) for O-2, and 1.09 mmol g(-1) for Ar at 298 K and \& SIM;10 bar. \& SIM;20\% higheradsorption capacity was found for N-2 and Ar in Ag-H-ETS-10compared to Ag-ETS-10. The higher sorption capacity was attributedto the formation of a bimodal structure and \& pi;-complexation interactionby the Ag cation, which allows a multilayer of N-2 and Armolecules. The Sips isotherm model was well fitted for the Ag-H-ETS-10experimental data among Langmuir, Freundlich, Toth, and Temkin models.The measured equilibrium adsorption data for Ag-H-ETS-10 can be usefulfor the O-2 purification process.

}, issn = {0021-9568}, doi = {10.1021/acs.jced.3c00124}, author = {Shrotri, Aadesh R. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48988, title = {Evaluation of Fe3O4 incorporated functionalized carbon nanotube self-standing buckypaper as electrodes for solid-state symmetric supercapacitor}, journal = {Journal of Energy Storage }, volume = {73}, year = {2023}, month = {DEC }, pages = {109-101}, type = {Article}, abstract = {

Iron (II, III) oxide and carbonaceous materials drawn considerable attention in energy storage owing to their special features. In this study, simple reverse co-precipitation, acid functionalization and vacuum filtration methods adopted to synthesis Fe3O4 nanoparticles of size 11 nm and -COOH acid functionalized multi-wall carbon nanotubes (FMWCNT). And further used them to prepare and optimize Fe3O4 in FMWCNT as 15 wt\% and 25 wt\% self-standing buckypapers of around 30-mu m thickness as electrodes for solid-state symmetric capacitor in the form of coin cell. The results show that 15 wt\% and 25 wt\% of Fe3O4-FMWCNT buckypapers hybrid nanostructures have Fe3O4 nanoparticles successfully incorporated in FMWCNT. The 25 wt\% Fe3O4-FMWCNT electrodes with charge transfer resistance of 140 Ohm showed high areal specific capacitance (Cs) 78.5 mF/cm2 and retained 80 \% of its Cs until 800 cycles even at high current density of 1 mA/cm2, scan rate of 100 mV/s whereas 15 wt\% Fe3O4-FMWCNT showed low Cs of 47 mF/cm2 and retained 80 \% of its Cs over 5000 cycles whereas only FMWCNT show Cs is 36 mF/cm2 with 54 Ohm. Finally, a solid-state symmetric supercapacitor coin cell with self-standing 25 wt\% Fe3O4-FMWCNT buckypaper showed an excellent power density of 129.5 mW cm-3 and energy density of 3.6 mWh cm-3 is the innovation of the current work. This is mainly attributed to the combined effect of pseudocapacitive behavior from Fe3O4 by faradaic reaction with additional charge transfer resistance and electric double layer (EDLC) behavior from FMWCNTs by non-faradaic of electronic, ionic transport during charging-discharging. As-made solid-state symmetric supercapacitor appears as a high-performance storage device without extra support of current collectors for practical applications and for fabri-cation of planar capacitors.

}, keywords = {Buckypaper, Power density, specific capacitance, Symmetric supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2023.109101}, author = {Bhaviripudi, Vijayabhaskara Rao and Dwivedi, Pravin K. and Pabba, Durga Prasad and Aepuru, Radhamanohar and Nakate, Umesh T. and Espinoza-Gonzalez, Rodrigo and Shelke, V, Manjusha} } @article {48998, title = {Exceptional cyclability of thermally stable PVdF-co-HFP/SiO2 nanocomposite polymer electrolytes for sodium ion batteries}, journal = {Journal of Energy Storage}, volume = {73}, year = {2023}, month = {DEC }, type = {Article}, abstract = {

Thermally stable composite polymer electrolyte (CPE) devising PVdF-co-HFP polymer with in-situ generated silica (SiO2) as filler is synthesised via non-solvent- induced phase inversion technique. The filler loading of in-situ synthesised silica in PVdF-co-HFP is varied from 0 to 9 wt\% and its morphological, thermal and electrochemical characterization is carried out. Among the different composite electrolytes, the PVdF-co-HFP containing 6 wt\% SiO2 shows the uniform microporous structure with a highest porosity (84 \%), surface area (784.14 m(2) g(-1)), electrolyte uptake (262 \%) and electrolyte retention value (0.48). The incorporation of in-situ SiO2 on CPE shows not only the enhancement in thermal stability but also reduced thermal shrinkage with an increase in the filler content. The electrochemical studies of PVdF-co-HFP containing 6 wt\% SiO2 shows a higher ionic conductivity (0.71 mS cm(-1)) and potential stability \>4.5 V verses Na/Na+. The Na-ion half-cells assembled with PVdF-co-HFP/SiO2 composite electrolyte show a specific capacity of similar to 120 mAh g(-1) at 0.3C rate in room temperature and a stable cycle performance with a Coulombic efficiency of around 100 \% for 200 cycles.

}, keywords = {Composite electrolytes, Coulombic efficiency, polymer electrolytes, Sodium ion batteries, specific capacity, thermal stability}, issn = {2352-152X}, doi = {10.1016/j.est.2023.109026}, author = {Das, Akhila and Melepurakkal, Amrutha and Sreeram, Pranav and Gireesh, K. T. and Balakrishnan, Neethu T. M. and Fatima, M. J. Jabeen and Pullanchiyodan, Abhilash and Ahn, Jou-Hyeon and V. Shelke, Manjusha and Raghavan, Prasanth} } @article {49140, title = { Ferroelectric aminophosphonium cyanoferrate with a large electrostrictive coefficient as a piezoelectric nanogenerator}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JAN }, type = {Article}, abstract = {

Hybrid materials possessing piezo- and ferroelectric properties emerge as excellent alternatives to conventional piezoceramics due to their merits of facile synthesis, lightweight nature, ease of fabrication and mechanical flexibility. Inspired by the structural stability of aminophosphonium compounds, here we report the first A(3)BX(6) type cyanometallate [Ph-2((PrNH)-Pr-i)(2)P](3)[Fe(CN)(6)] (1), which shows a ferroelectric saturation polarization (P-s) of 3.71 mu C cm(-2). Compound 1 exhibits a high electrostrictive coefficient (Q(33)) of 0.73 m(4) C-2, far exceeding those of piezoceramics (0.034-0.096 m(4) C-2). Piezoresponse force microscopy (PFM) analysis demonstrates the polarization switching and domain structure of 1 further confirming its ferroelectric nature. Furthermore, thermoplastic polyurethane (TPU) polymer composite films of 1 were prepared and employed as piezoelectric nanogenerators. Notably, the 15 wt \% 1-TPU device gave a maximum output voltage of 13.57 V and a power density of 6.03 mu W cm(-2).

}, keywords = {Cyanometallates, energy conversion, H-bonding, hybrid composites, Phosphorus}, issn = {1433-7851}, doi = {10.1002/anie.202214984}, author = {Vijayakanth, Thangavel and Sahoo, Supriya and Kothavade, Premkumar and Sharma, Vijay Bhan and Kabra, Dinesh and Zareba, Jan K. K. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {48943, title = {Functionalized CNT-azobenzene-PVA-based self-healing aqueous gel as a conductive photo-responsive actuator}, journal = {Journal of materials chemistry C}, volume = {11}, year = {2023}, month = {DEC }, pages = {16571-16577}, type = {Article}, abstract = {

Conductive gels have gained attention from researchers owing to potential applications in flexible displays, implantable medical devices, touch panels, wearable electronic skin, sensors, soft robotics, etc. Photo-responsive conductance switching gels can make their way into various applications, including contact-free remote-controlled manipulation of the materials, implantable synthetic organs, and optical switches. Herein, we report an aqueous gel with boronic acid containing azobenzene crosslinker as the light-responsive part that can undergo reversible cis-trans isomerization on irradiation with UV-vis light and catechol functionalized single-walled carbon nanotube as a conductive part producing a self-healing aqueous gel with PVA. The 3D crosslinked gel network formed through the formation of boronic ester and hydrogen bonding between hydroxyl and boronic acid groups was confirmed using scanning electron microscopy, X-ray microtomography, and rheological experiments. Rheology results show that gel is a viscoelastic material with immediate self-healing properties. The presence of functionalized SWCNT in the gel matrix enhances the stability and results in a conductivity of up to 3.5 S cm-1 with a loading of 5 wt\%. The gel network exhibits a photoresponsive conductance switching from 10 to 60 mu A with UV and visible light irradiation, respectively. The molecular level motions during the isomerization of azobenzene lead to macroscopic dynamic changes that can find applications in soft actuators. The photoresponsive conductivity switching and dynamic movements of the films make the present material suitable for contact-free switching applications. Responsive conductive gels have gained attention owing to potential applications in flexible displays, implantable medical devices, touch panels, wearable electronic skin, sensors, soft robotics, and related areas.

}, keywords = {Cyclodextrins, Supramolecular Hydrogels,}, issn = {2050-7526}, doi = {10.1039/d3tc02942e}, author = {Narayanan, Aswini and Bhagyasree, T. M. and Torris, Arun and Babu, Sukumaran Santhosh} } @article {48337, title = {Gas sensors and factors influencing sensing mechanism with a special focus on MOS sensors}, journal = {Journal of Materials Science}, volume = {58}, year = {2023}, month = {JAN}, pages = {559-582}, type = {Review}, abstract = {

Industrialization and its progress are very important for the economy and to move towards prosperity, stimulating innovation and creating jobs. Nonetheless, industrialization has negative impacts, if not done judiciously, such as pollution, increased greenhouse gas emissions, and global warming. Therefore, amenity-with-security is of fundamental significance in a new and dynamic lifestyle. A gas sensor is one of the crucial devices for monitoring and subsequently preserving the clean atmosphere among a number of other safety technologies. In-depth assessments of gas sensors and their necessity in the environment (air) pollution are provided in the current review. With a special emphasis on metal oxide semiconductor (MOS)-based gas sensors, the review includes a thorough study of gas sensors and the factors relating to sensing mechanisms. It not only describes the basic concepts and brief history of gas sensors, but also highlights the schemes responsible for improving the gas sensing properties and state-of-art literature review. These schemes include (1) surface engineering/morphological tuning and (2) bulk and surface doping. To keep scientific rigour and in-depth analyses, this review focuses on these two schemes only. In the doping area, the emphasis is given on graphene loading, decorated with nanoparticles of noble metals, spillover mechanism, and heterojunction (p-n, n-n, and p-p) formation. The conclusion summarizes the most optimized MOS gas sensors with enhanced gas sensing capabilities. The emphasis is given to formulate the article in such a way that it will be useful for the beginners who wish to explore the gas sensor research field, as well as to the established researchers to further improve the sensing capabilities of MOS gas sensors.

}, issn = {0022-2461}, doi = {10.1007/s10853-022-08072-0}, author = {Nadargi, Digambar Y. Y. and Umar, Ahmad and Nadargi, Jyoti D. D. and Lokare, Smita A. A. and Akbar, Sheikh and Mulla, Imtiaz S. S. and Suryavanshi, Sharad S. S. and Bhandari, Nagesh L. L. and Chaskar, Manohar G. G.} } @article {48995, title = {Genomic surveillance reveals early detection and transition of delta to omicron lineages of SARS-CoV-2 variants in wastewater treatment plants of Pune, India}, journal = {Environmental Science and Pollution Research }, volume = {30}, year = {2023}, month = {DEC}, pages = {118976-118988}, type = {Article}, abstract = {

The COVID-19 pandemic has emphasized the urgency for rapid public health surveillance methods to detect and monitor the transmission of infectious diseases. The wastewater-based epidemiology (WBE) has emerged as a promising tool for proactive analysis and quantification of infectious pathogens within a population before clinical cases emerge. In the present study, we aimed to assess the trend and dynamics of SARS-CoV-2 variants using a longitudinal approach. Our objective included early detection and monitoring of these variants to enhance our understanding of their prevalence and potential impact. To achieve our goals, we conducted real-time quantitative polymerase chain reaction (RT-qPCR) and Illumina sequencing on 442 wastewater (WW) samples collected from 10 sewage treatment plants (STPs) in Pune city, India, spanning from November 2021 to April 2022. Our comprehensive analysis identified 426 distinct lineages representing 17 highly transmissible variants of SARS-CoV-2. Notably, fragments of Omicron variant were detected in WW samples prior to its first clinical detection in Botswana. Furthermore, we observed highly contagious sub-lineages of the Omicron variant, including BA.1 (similar to 28\%), BA.1.X (1.0-72\%), BA.2 (1.0-18\%), BA.2.X (1.0-97.4\%) BA.2.12 (0.8-0.25\%), BA.2.38 (0.8-1.0\%), BA.2.75 (0.01-0.02\%), BA.3 (0.09-6.3\%), BA.4 (0.24-0.29\%), and XBB (0.01-21.83\%), with varying prevalence rates. Overall, the present study demonstrated the practicality of WBE in the early detection of SARS-CoV-2 variants, which could help track future outbreaks of SARS-CoV-2. Such approaches could be implicated in monitoring infectious agents before they appear in clinical cases.

}, keywords = {Bioinformatics pipeline, COVID-19, Early warning, India, Next-generation sequencing, Omicron, Public health, SARS-CoV-2, wastewater, Wastewater-based epidemiology}, issn = {0944-1344}, doi = {10.1007/s11356-023-30709-z}, author = {Rajput, Vinay and Pramanik, Rinka and Malik, Vinita and Yadav, Rakeshkumar and Samson, Rachel and Kadam, Pradnya and Bhalerao, Unnati and Tupekar, Manisha and Deshpande, Dipti and Shah, Priyanki and Shashidhara, L. S. and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Karmodiya, Krishanpal and Dharne, Mahesh} } @article {48669, title = {Green, practical \& scalable approach towards the synthesis of valuable α-keto amides using a metal-free catalyst under solvent-free conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {OCT}, pages = {19679-19687}, type = {Article}, abstract = {

alpha-Ketoamides are very important motifs as they are present in many natural products, drugs \& biologically important molecules. We synthesized a very simple, cheap, eco-friendly \& reusable glucose-based carbonaceous material (GCM), which showed high performance as a catalyst in the oxidative cross-dehydrogenative coupling (CDC) reaction of alpha-ketoaldehydes with amines for the synthesis of alpha-ketoamides. The GCM catalyst was also very efficient for one-pot two-step synthesis of alpha-ketoamides from alpha-ketoalcohols as well. The GCM catalyst was able to catalyze alcohol oxidation in alpha-ketoalcohols followed by CDC reaction with amines to form alpha-ketoalcohols. The reactions were found to proceed smoothly at a low temperature of 50 degrees C using a green \& economical metal-free catalyst under base-free, ligand-free \& solvent-free reaction conditions to get the corresponding alpha-ketoamides in good to excellent yields. The results demonstrated that the GCM catalyst showed acidic as well as superior oxidising catalytic activity due to the presence of a carboxylic acid (-COOH) and hydroxyl (-OH)-enriched carbonaceous framework, which enabled the synthesis of important alpha-ketoamide motifs. The applicability of the catalyst was also evaluated for the synthesis of an anti-HIV agent drug molecule. Greener, cheaper \& eco-friendly GCM catalyst as well as catalytic process for synthesis of alpha-Keto Amides.

}, issn = {1144-0546}, doi = {10.1039/d3nj03087c}, author = {Bankar, Shubham R. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {48815, title = {Hierarchical covalent organic framework-foam for multi-enzyme tandem catalysis}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN }, pages = {6643-6653}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) are ideal host matrices for biomolecule immobilization and biocatalysis due to their high porosity, various functionalities, and structural robustness. However, the porosity of COFs is limited to the micropore dimension, which restricts the immobilization of enzymes with large volumes and obstructs substrate flow during enzyme catalysis. A hierarchical 3D nanostructure possessing micro-, meso-, and macroporosity could be a beneficial host matrix for such enzyme catalysis. In this study, we employed an in situ CO2 gas effervescence technique to induce disordered macropores in the ordered 2D COF nanostructure, synthesizing hierarchical TpAzo COF-foam. The resulting TpAzo foam matrix facilitates the immobilization of multiple enzymes with higher immobilization efficiency (approximately 1.5 to 4-fold) than the COF. The immobilized cellulolytic enzymes, namely beta-glucosidase (BGL), cellobiohydrolase (CBH), and endoglucanase (EG), remain active inside the TpAzo foam. The immobilized BGL exhibited activity in organic solvents and stability at room temperature (25 degrees C). The enzyme-immobilized TpAzo foam exhibited significant activity towards the hydrolysis of p-nitrophenyl-beta-d-glucopyranoside (BGL@TpAzo-foam: K-m and V-max = 23.5 +/- 3.5 mM and 497.7 +/- 28.0 mu M min(-1)) and carboxymethylcellulose (CBH@TpAzo-foam: K-m and V-max = 18.3 +/- 4.0 mg mL(-1) and 85.2 +/- 9.6 mu M min(-1) and EG@TpAzo-foam: K-m and V-max = 13.2 +/- 2.0 mg mL(-1) and 102.2 +/- 7.1 mu M min(-1)). Subsequently, the multi-enzyme immobilized TpAzo foams were utilized to perform a one-pot tandem conversion from carboxymethylcellulose (CMC) to glucose with high recyclability (10 cycles). This work opens up the possibility of synthesizing enzymes immobilized in TpAzo foam for tandem catalysis.

}, issn = {2041-6520}, doi = {10.1039/d3sc01367g}, author = {Paul, Satyadip and Gupta, Mani and Dey, Kaushik and Mahato, Ashok Kumar and Bag, Saikat and Torris, Arun and Gowd, E. Bhoje and Sajid, Hasnain and Addicoat, Matthew A. and Datta, Supratim and Banerjee, Rahul} } @article {48670, title = {High open-circuit voltage in lead sulfide quantum dot solar cells via solution-phase ligand exchange with low electron affinity cadmium halides}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {11}, year = {2023}, month = {AUG}, pages = {17282-17291}, type = {Article}, abstract = {

The deployment of colloidal quantum dots (QDs) in building high-performance solar cells and other optoelectronic applications relies on the passivation of unsaturated surface atoms through ligand engineering to attain a trap-free energy bandgap and strong QD coupling while maintaining the quantum confinement effect. Despite major advancements in surface passivation strategies, the open circuit voltage (V-oc) of lead sulfide (PbS) QD solar cells is limited by undesirable sub-bandgap states and high-bandtail states. The most advanced solution-phase ligand exchange strategy for PbS QDs depends on lead halide ligands, which improved the photocurrent and fill factor in QD solar cells significantly, but only an incremental change in V-oc is observed. Here we showcase a solution-phase hybrid ligand passivation strategy for PbS QDs using shallow electron affinity cadmium halide and thiol ligands. The cadmium halide ligand treatment results in the sub-monolayer substitution of surface Pb atoms by Cd atoms. The photophysical properties of QDs improve significantly to show intense band edge emission, diminished trap emission and reduced Urbach tail states. The photovoltaic devices built using cadmium halide-treated QDs show low reverse saturation current, which helps to attain a record 0.7 V V-oc (for a 1.28 eV bandgap) and 12.3\% PCE.

}, issn = {2050-7488}, doi = {10.1039/d3ta02191b}, author = {Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Mitra, Anurag and Rath, Arup K.} } @article {48314, title = {Highly interconnected porous monolithic and beaded polymers using high internal phase emulsion polymerization: tuning porous architecture through synthesis variables}, journal = {Polymer International}, volume = {72}, year = {2023}, month = {APR}, pages = {451-466}, type = {Article}, abstract = {

Open porous polymeric materials have gained popularity due to their exceptional properties and applications in tissue engineering scaffolds, drug delivery, enzyme immobilization and catalysis support. This study developed a novel two-stage approach to create networked, crosslinked poly(2-hydroxyethyl methacrylate-co-N,N{\textquoteright}-methylenebisacrylamide) HEMA-MBA beads. The first part involves producing an oil-in-water-in-oil high internal phase emulsion (HIPE). This is followed by suspension polymerization using a redox initiator pair. In this study, a mixed surfactant combination with low and high hydrophilicity-lipophilicity balance surfactants was identified and successfully utilized to prepare a stable oil-in-water-in-oil HIPE. The effect of crosslinker concentration (i.e. crosslink density), surfactant concentration and monomer-to-porogen ratio on pore architecture and surface area were successfully evaluated. In addition, a new protocol was developed to synthesize HEMA-MBA monoliths using an oil-in-water HIPE method at ambient temperature using a redox initiator pair. The effect of crosslink density and oil phase on pore architecture and surface area was evaluated. Key variables affecting the morphology of porous HEMA-MBA beads and monoliths were identified and quantified, allowing future development of porous HEMA-based polymer beads and monoliths with tunable morphologies which are suitable for numerous applications, especially in the biomedical field. (c) 2022 Society of Industrial Chemistry.

}, keywords = {HIPE polymerization, porosity, porous polymers, redox polymerization, Suspension polymerization}, issn = {0959-8103}, doi = {10.1002/pi.6489}, author = {Ponrathnam, Timothy and Behere, Isha and Ponrathnam, Surendra and Ingavle, Ganesh} } @article {48774, title = {Hydrogen from catalytic non-thermal plasma-assisted steam methane reforming reaction}, journal = {International Journal of Hydrogen Energy}, volume = {48}, year = {2023}, month = {JUL}, pages = {24328-24341}, type = {Article}, abstract = {

Steam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidatedSteam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidated which can help to design catalyst for other applications in non-thermal plasma atmosphere. \& COPY; 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {DFT, Dielectric barrier discharge, Non-thermal plasma, selectivity, Specific energy input, Steam methane reforming}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.03.281}, author = {Bajpai, Abhinav and Mehta, Shweta and Joshi, Kavita and Kumar, Sushant} } @article {48449, title = {Identification of potential microRNAs regulating metabolic plasticity and cellular phenotypes in glioblastoma}, journal = {Molecular Genetics and Genomics}, volume = {298}, year = {2023}, month = {JAN}, pages = {161-181}, type = {Article}, abstract = {

MicroRNAs (miRNAs) play important role in regulating cellular metabolism, and are currently being explored in cancer. As metabolic reprogramming in cancer is a major mediator of phenotypic plasticity, understanding miRNA-regulated metabolism will provide opportunities to identify miRNA targets that can regulate oncogenic phenotypes by taking control of cellular metabolism. In the present work, we studied the effect of differentially expressed miRNAs on metabolism, and associated oncogenic phenotypes in glioblastoma (GBM) using patient-derived data. Networks of differentially expressed miRNAs and metabolic genes were created and analyzed to identify important miRNAs that regulate major metabolism in GBM. Graph network-based approaches like network diffusion, backbone extraction, and different centrality measures were used to analyze these networks for identification of potential miRNA targets. Important metabolic processes and cellular phenotypes were annotated to trace the functional responses associated with these miRNA-regulated metabolic genes and associated phenotype networks. miRNA-regulated metabolic gene subnetworks of cellular phenotypes were extracted, and important miRNAs regulating these phenotypes were identified. The most important outcome of the study is the target miRNA combinations predicted for five different oncogenic phenotypes that can be tested experimentally for miRNA-based therapeutic design in GBM. Strategies implemented in the study can be used to generate testable hypotheses in other cancer types as well, and design context-specific miRNA-based therapy for individual patient. Their usability can be further extended to other gene regulatory networks in cancer and other genetic diseases.

}, keywords = {Cellular phenotypes, Functional analysis, Glioblastoma metabolism, microRNA, miRNA-based therapy, Network analysis, Transcriptome}, issn = {1617-4615}, doi = {10.1007/s00438-022-01966-3}, author = {Bhowmick, Rupa and Sarkar, Ram Rup} } @article {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 {48686, title = {Insights into the synthesis and kinetics of silver-on-silica core-shell particles}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {JUL}, pages = {9681-9692}, type = {Article}, abstract = {

In this study, a heterogeneous nucleation and growthmodel hasbeen developed to explore the formation mechanism of silver-depositedsilica core-shell particles based on the reaction kinetics.To validate the core-shell model, the time-dependent experimentaldata were quantitatively examined and in situ reduction,nucleation, and growth rates were estimated by optimizing the concentrationprofiles of reactants and deposited silver particles. Using this model,we also attempted to predict the change in the surface area and diameterof core-shell particles. The concentration of the reducingagent, metal precursor, and reaction temperature were found to havea strong influence on the rate constants and morphology of core-shellparticles. Higher rates of nucleation and growth often produced thick,asymmetric patches that covered the entire surface, whereas lowerrates produced sparsely deposited silver particles with a sphericalshape. The result revealed that by simply tuning the process parametersand controlling the relative rates, the morphology of deposited silverparticles and the surface coverage can be controlled while retainingthe spherical shape of the core. The present study aims to offer comprehensivedata pertaining to the nucleation, growth, and coalescence processesof core-shell nanostructures which will aid in the developmentand understanding of the principles that govern the formation of nanoparticle-coatedmaterials.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c00624}, author = {Jundale, Rajashri B. and Bari, Atul H. and Kulkarni, Amol A.} } @article {48315, title = {Interactive study of Au-20 nanocluster and methyl substituted amide linked tyrosine/tryptophan to develop representative model for studying protein-nanoparticle interaction}, journal = {Journal of Molecular Structure}, volume = {1272}, year = {2023}, month = {JAN}, pages = {134177}, type = {Article}, abstract = {

Investigations on UV-vis, steady-state fluorescence and synchronous fluorescence properties of human hemoglobin (HHb) reveals greater spectral shifts in peaks arising due to alterations in microenvironment of Tyr-compared to Trp-during interactions with gold nanoparticle (GNP). Besides, interactions of Au-20 nanocluster with modified Tyr/Trp (possessing methyl substituted amide bonds) by quantum chemical calculations demonstrate significant role of amide bonds and the spectral shift, binding energy and alteration in bond distances appear to be higher for modified Tyr-compared to modified Trp. Moreover, close resemblance of frequency shift of modified Tyr/Trp-in presence of Au 20 is observed with respect to the experimental FT-IR study of HHb upon interaction with GNP, suggesting participation of amide bonds in both cases. Furthermore, CD DFT calculations using optimized helical stretch of HHbin presence of Au-20 and experimental CD results of HHb in presence of GNP further indicate participation amide bonds and biocompatibility of GNP. Apparently, the theoretical and experimental interactions are going in good agreement with each other. Overall, the study of interactions of modified Tyr/Trp-as representative models of protein microenvironment and Au-20 nanocluster as prototype of GNP to develop models for exploring protein nanoparticle interactions has been highlighted. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {amide bonds, Au-20 nanocluster, Gold nanoparticle, Human hemoglobin, Modified Tyr/Trp}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2022.134177}, author = {Sen Banerjee, Nineesha and Ghosh, Deborin and Mitra, Ishani and Paul, Somnath and Show, Bibhutibhushan and Ganguly, Tapan and Chakraborty, Madhurima} } @article {48450, title = {Intrinsic charge polarization in Bi19S27Cl3 nanorods promotes selective C-C coupling reaction during photoreduction of CO2 to ethanol}, journal = {Advanced Materials}, volume = {35}, year = {2023}, month = {FEB}, type = {Article}, abstract = {

Obtaining multi-carbon products via CO2 photoreduction is a major catalytic challenge involving multielectron-mediated C-C bond formation. Complex design of multicomponent interfaces that are exploited to achieve this chemical transformation, often leads to untraceable deleterious changes in the interfacial chemical environment affecting CO2 conversion efficiency and product selectivity. Alternatively, robust metal centers having asymmetric charge distribution can effectuate C-C coupling reaction through the stabilization of intermediates, for desired product selectivity. However, generating inherent charge distribution in a single component catalyst is a difficult material design challenge. Here, a novel photocatalyst, Bi19S27Cl3, is presented which selectively converts CO2 to a C-2 product, ethanol, in high yield under visible light irradiation. Structural analysis through transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy reveals the presence of charge polarized bismuth centers in Bi19S27Cl3. The intrinsic electric field induced by charge polarized bismuth centers renders better separation efficiency of photogenerated electron-hole pair. Furthermore, charge polarized centers yield better adsorption of CO* intermediate and accelerate the rate determining C-C coupling step through the formation of OCCOH intermediate. Formation of these intermediates is experimentally mapped by in situ Fourier-transform infrared spectroscopy and further confirmed by theoretical calculation.

}, keywords = {C-C coupling, charge polarization, CO2 reduction, Ethanol, Photocatalysis}, issn = {0935-9648}, doi = {10.1002/adma.202205994}, author = {Das, Kousik and Das, Risov and Riyaz, Mohd and Parui, Arko and Bagchi, Debabrata and Singh, Ashutosh Kumar and Singh, Abhishek Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48339, title = {Investigation and analysis of structural and electrochemical properties of highly ionic conductive La2-xSrxSn2O7-delta electrolyte for SOFC applications}, journal = {Chemical Papers}, volume = {77}, year = {2023}, month = {MAY}, pages = {2697-2705}, type = {Article}, abstract = {

This study primarily focused on the investigation, synthesis and analysis of lanthanum and tin pyrochlores electrolytes for solid oxide fuel cell (SOFC) applications. Ceramic samples with diverse compositions of La2-xSrxSn2O7-delta (x = 0.05, 0.1, 0.15, 0.2, 0.25, and 0.3) were synthesized by using solid-state reaction (SSR) methods. The prepared La2-xSrxSn2O7-delta samples were characterized by using X-ray diffraction, scanning electron microscopy and electrochemical impedance spectroscopy measurements. The results were further interpreted regarding the formation of high oxygen vacancy and structural disorder in the La2-xSrxSn2O7-delta matrix. The doping of lanthanum (La3+) by strontium (Sr2+) had a beneficial and remarkable effect on the structural and electrical properties: the increase in dopant (Sr) concentration decreased the lattice parameters of the crystalline phase and enhanced the creation of oxygen vacancies, which consequently increased the ionic conductivity and decreased the activation energy. Thus, it could be understood that the studied new La2-xSrxSn2O7-delta electrolyte would be one of the potential candidates for intermediate temperature SOFC applications.

}, keywords = {Electrolyte, Impedance spectroscopy, Ionic conductivity, Pyrochlore, SOFC}, issn = {0366-6352}, doi = {10.1007/s11696-022-02659-2}, author = {Melit, Fatima and Bounar, Nedjemeddine and Shaikh, Shabana P. S. and Deshpande, Manish and Steil, Marlu Cesar} } @article {48464, title = {Isolation and biochemical characterization of acid phytase from aspergillus niger and its applications in dephytinization of phytic acid in poultry feed ingredients}, journal = {Microbiology}, volume = {92}, year = {2023}, month = {APR}, pages = {221-229}, type = {Article}, abstract = {

Acidic phytase (PHY-B) was isolated from Aspergillus niger BIONCL8 strain, and assessed its application for the dephytinization of poultry feed ingredients. Aspergillus niger BIONCL8 strain was identified by precise molecular methods by targeting internal transcribed spacer (ITS) region of the fungi and molecular detection of PHY gene in the strain was confirmed by sequence analysis with respect to PHY production. The enzyme was isolated and purified by DEAE Sephadex A-50 and Bio-Gel P-60 Gel ion-exchange chromatography. The estimated molecular weight of the protein was 65 kDa on SDS-PAGE, it had a specific activity of 21.18 U/mg. The molecular weight of the protein was confirmed by matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS). The peptide sequence of PHY-B was identified using high resolution-mass spectrometry (LC-HR-MS), and its physicochemical parameters were studied. The PHY was stable at acidic pH 2.1, most active at 40 degrees C and was stable up to 80 degrees C, retaining 30\% residual activity after 1 h of incubation. The PHY activity was enhanced in the presence of Mg2+ and EDTA, and activity was inhibited in the presence of Hg2+ and K+. The K-m and V-max of PHY were recorded as 3.35 mM and 1.27 U/mg, respectively. The PHY was shown to play a significant role in decreasing PA content in various poultry feed ingredients, ranging from 48.14 to 82.14\%. The novel features of the enzyme can be used to decrease the PA content in feed ingredients and increase the bioavailability of nutrients to non-ruminant animals.

}, keywords = {Aspergillus niger, dephytinization, high resolution-mass spectrometry, ion-exchange chromatography, matrix-assisted laser desorption ionization time-of-flight mass spectrometry, Phytase}, issn = {0026-2617}, doi = {10.1134/S0026261722601452}, author = {Bhandari, Y. and Sonwane, B. and Vamkudoth, K. R.} } @article {48939, title = {Isomer effect on energy storage of π-extended S-shaped double[6]heterohelicene}, journal = { Angewandte chemie-international edition}, volume = {62}, year = {2023}, month = {NOV}, type = {Article}, abstract = {

Recently, chiral and nonplanar cutouts of graphene have been the favorites due to their unique optical, electronic, and redox properties and high solubility compared with their planar counterparts. Despite the remarkable progress in helicenes, pi-extended heterohelicenes have not been widely explored. As an anode in a lithium-ion battery, the racemic mixture of pi-extended double heterohelical nanographene containing thienothiophene core exhibited a high lithium storage capability, attaining a specific capacity of 424 mAh g-1 at 0.1 A g-1 with excellent rate capability and superior long-term cycling performance over 6000 cycles with negligible fade. As a first report, the pi-extended helicene isomer (PP and MM), with the more interlayer distance that helps faster diffusion of ions, has exhibited a high capacity of 300 mAh g-1 at 2 A g-1 with long-term cycling performance over 1500 cycles compared to the less performing MP and PM isomer and racemic mixture (150 mAh g-1 at 2 A g-1). As supported by single-crystal X-ray analysis, a unique molecular design of nanographenes with a fixed (helical) molecular geometry, avoiding restacking of the layers, renders better performance as an anode in lithium-ion batteries. Interestingly, the recycled nanographene anode material displayed comparable performance. A pi-extended double heterohelical nanographene of thienothiophene core fused with two hexabenzocoronene units exhibits excellent performance as an anode in a lithium-ion battery. The isomer (PP and MM) with more interlayer distance exhibited a high lithium storage capability compared to the other isomer and racemic mixture. Helical nanographene anodes display excellent rate capability, superior long-term cycling performance, and recyclability.image

}, keywords = {Battery, graphene, Li-ion battery, nanographene, Organic Electrode Material}, issn = {1433-7851}, doi = {10.1002/anie.202311657}, author = {Kumar, Viksit and Bharathkumar, H. J. and Dongre, Sangram D. and Gonnade, Rajesh and Krishnamoorthy, Kothandam and Babu, Sukumaran Santhosh} } @article {48285, title = {Late-stage C(sp(2))-H arylation of artemisinic acid and arteannuin B: effect of olefin migration towards synthesis of C-13 arylated artemisinin derivatives}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR }, type = {Article}, abstract = {

In recent years, C-H bond functionalization has emerged as a pivotal tool for late-stage functionalization of complex natural products for the synthesis of potent biologically active derivatives. Artemisinin and its C-12 functionalized semi-synthetic derivatives are well-known clinically used anti-malarial drugs due to the presence of the essential 1,2,4-trioxane pharmacophore. However, in the wake of parasite developing resistance against artemisinin-based drugs, we conceptualized the synthesis of C-13 functionalized artemisinin derivatives as new antimalarials. In this regard, we envisaged that artemisinic acid could be a suitable precursor for the synthesis of C-13 functionalized artemisinin derivatives. Herein, we report C-13 arylation of artemisinic acid, a sesquiterpene acid and our attempts towards synthesis of C-13 arylated artemisinin derivatives. However, all our efforts resulted in the formation of a novel ring-contracted rearranged product. Additionally, we have extended our developed protocol for C-13 arylation of arteannuin B, a sesquiterpene lactone epoxide considered to be the biogenetic precursor of artemisinic acid. Indeed, the synthesis of C-13 arylated arteannuin B renders our developed protocol to be effective in sesquiterpene lactone as well.

}, keywords = {Arteannuin B, Artemisinic acid, artemisinin, C-H functionalization, Pd-catalysis}, issn = {1861-4728}, doi = {10.1002/asia.202300162}, author = {Paul, Sayantan and Ghodake, Balaji M. M. and Bhattacharya, Asish K. K.} } @article {48284, title = {Low-temperature preferential CO oxidation in a hydrogen-rich stream over Pt-NaY and modified Pt-NaY catalysts for fuel cell application}, journal = {Fuel Cells}, volume = {23}, year = {2023}, month = {FEB}, pages = {15-28}, type = {Article}, abstract = {

Preferential oxidation of CO (CO-PROX) in the hydrogen-rich stream has been carried out over Pt-NaY catalysts containing various Pt loadings along with Fe, Co, and Au. Catalysts have been characterized with inductively coupled plasma-atomic emission spectroscopy, Brunauer, Emmett, and Teller surface area, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, temperature programmed reduction, and Pt dispersion. CO-PROX activities and CO oxidation selectivities are observed to increase with an increase in Pt content. Pt-NaY catalyst with 0.75 wt.\% Pt loading shows maximum CO-PROX activity at low temperatures. An increase in space velocity decreases the CO and O-2 conversions, but CO oxidation selectivity increases. A decrease in activity is observed when reformat gas contains around 20\% H2O. During the stability test, no change in CO and O-2 conversions is observed, but a small increase in the CO oxidation selectivity is noticed after 10 h indicating that the Pt-NaY catalyst is a promising candidate for CO-PROX reaction in a hydrogen-rich stream. The Pt-Fe-NaY catalyst shows better activity than the Pt-NaY catalyst but starts deactivating after 10 h. However, activity is observed to decrease over Pt-Co-NaY and Pt-Au-NaY catalysts. Pt-Fe-NaY catalyst with 0.75 and 0.35 wt.\% Pt and Fe, respectively, shows better CO-PROX activity at a temperature of 75 degrees C.

}, keywords = {catalysis, CO oxidation, experimental results, flow bed, Fuel Cell Applications, Hydrogen, X-ray photoelectron spectroscopy}, issn = {1615-6846}, doi = {10.1002/fuce.202200134}, author = {Malwadkar, Sachin and Bera, Parthasarathi and Satyanarayana, Chilukuri V. V.} } @article {48790, title = {Luminescent 3D printed poly(lactic acid) nanocomposites with enhanced mechanical properties}, journal = {Polymer Engineering and Science}, volume = {63}, year = {2023}, month = {JUL}, pages = {2059-2072}, type = {Article}, abstract = {

The three-dimensional (3D) printing of functional composite materials has gained tremendous interest in recent years. Nevertheless, research on 3D printing of luminescent composite materials is very limited, and the mechanical properties of such 3D-printed composites are poor. Herein, we report the preparation and characterization of a poly(lactic acid) (PLA) composite that, when 3D printed, exhibits enhanced toughness and high solid-state fluorescence quantum yield. Incorporation of only 1 wt\% pyrene butyric acid modified cellulose nanofibers (PBA-m-CNF) and l0 wt\% thermoplastic polyurethane (TPU) into PLA led to 223\% increase in toughness and 21\% increase in tensile modulus of PLA. Scanning electron microscopy (SEM) and X-ray microcomputed tomography (mu-CT) analysis of the fractured cross-sections of 3D printed composites revealed a ductile failure mode. The PLA/PBA-m-CNF1/TPU10 3D printed composite also exhibited a high solid-state fluorescence quantum yield of 38.35\%. To the best of our knowledge, this is the first report to show both enhanced mechanical properties and high solid-state fluorescence emission for 3D printable PLA. Such functional PLA composites could have potential applications in the fabrication of complex-shaped sensors, optical light pipes, etc.

}, keywords = {3D printing, Composite, fluorescence, Nanocellulose, poly(lactic acid), toughness}, issn = {0032-3888}, doi = {10.1002/pen.26345}, author = {Kothavade, Premkumar Anil and Yadav, Prashant and Nidhankar, Aakash D. and Torris, Arun and Pol, Harshawardhan and Kafi, Abdullah and Bateman, Stuart and Sukumaran, Santosh Babu and Shanmuganathan, Kadhiravan} } @article {48707, title = {Mapping time dependent disulfide bond formation during in-vitro refolding of recombinant peptibody: a Fc-fusion protein}, journal = {Biochemical Engineering Journal}, volume = {197}, year = {2023}, month = {AUG}, pages = {108969}, type = {Article}, abstract = {

Disulfide bonds are commonly found in covalent interactions, which play a vital role in establishing the three-dimensional structure of proteins and maintaining their biological activity. This investigation is focused on time dependant mapping of intra and inter-disulfide bonds during in-vitro refolding of recombinant peptibody using LC-ESI-MS/MS. The selected recombinant peptibody is a homodimeric, aglycosylated Fc-fusion protein expressed in E. coli. The amino acid sequence in the disulfide bond containing peptides was confirmed at MS/MS level using the CID-based fragmentation approach. During in-vitro refolding of peptibody, a peptide with inter -chain disulfide bond is observed post 4 h, with low area intensity, and it reached a maximum in 96 h. How-ever, maximum area intensity was reached for the intra-chain disulfide bond in 72 h. Since cysteine residues responsible for intra-chain disulfide bonds are present in complex part of the Fc domain, formation of intra-chain disulfide bonds may be an overall rate-limiting step in recombinant Romiplostim refolding. Proper folding and contributions by non-covalent interactions will be required to form intra-chain disulfide bond. Monitoring time -based formation of such non-covalent interactions was carried out using intrinsic fluorescence during protein refolding. Observations from intrinsic fluorescence show that 4-6 h is most crucial time for domain formation. Observations from this study will help characterize structural integrity and quality during process and product development for consistent product quality.

}, keywords = {Disulfide bond formation, In -vitro refolding, Intrinsic fluorescence, Mass spectroscopy, Peptibody, Time based mapping}, issn = {1369-703X}, doi = {10.1016/j.bej.2023.108969}, author = {Kumthekar, Rupali and Rana, Sunil and Ughade, Santosh and Bhambure, Rahul} } @article {48733, title = {Metabolites from lactococcus lactis subsp. lactis: isolation, structure elucidation, and antimicrobial activity}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {SEP}, pages = {36628-36635}, type = {Article}, abstract = {

Herein, we disclose the identification of novel metabolites from a potential probiotic strain, Lactococcus lactis subsp. lactis, obtained from traditional dairy milk samples collected in Maharashtra, India (in January 2021). Isolated metabolites include pyrazin-2-carboxamide [1, pyrazinamide, a potential antitubercular drug], 3,5-dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one (2, DDMP), 2,4-di-tert-butylphenol (3), and hexadecanoic acid (4, palmitic acid). The chemical structures of these metabolites were elucidated through extensive 1D NMR (H-1 and C-13) and 2D NMR (HSQC, HMBC, and NOESY) analyses, high-resolution mass spectrometry, high-performance liquid chromatography, and single-crystal X-ray crystallography. Furthermore, these novel metabolites exhibited potent inhibitory activities against various bacteria, fungi, and yeast strains with minimum inhibitory concentrations ranging between 1.56 and 25 mu g/mL, and compounds 1 and 3 were found to be most active against a wide range of microbial strains tested.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01662}, author = {Navale, Vishwambar D. and Borade, Balasaheb R. and Rama Krishna, Gamidi and Vamkudoth, Koteswara Rao and Kontham, Ravindar} } @article {48708, title = {Metal-catalyzed plastic depolymerization}, journal = {Cell Reports Physical Science}, volume = {4}, year = {2023}, month = {MAY}, pages = {101341}, type = {Review}, abstract = {

Polymers have become an indispensable part of our daily lives, and today we produce around 370 MT of plastic per year. Only about 20\% of it is being recycled, and the rest, 80\%, is unleashed into the environment without appropriate treatment. This calls forth the evaluation of strategies available for mitigating the menace of {\textquoteleft}{\textquoteleft}after-use{\textquoteright}{\textquoteright}plastic waste. Various approaches have evolved over a decade and are at different levels of development. Plastic depolymerization and upcycling are considered some of the most prominent and long-term solutions. The metal-catalyzed depolymerization of plastic waste to chemical feedstocks has emerged as one of the promising ways to address global plastic pollution. Therefore, this review aims to examine the available metal-catalyzed depolymerization methods, notify recent progress, pinpoint current gaps, and gauge the potential of this strategy. Both homogeneous and heterogeneous catalysts have been reported to depolymerize various polymers over the last decade. Considerable advances have been reported in the metal-mediated depolymerization of polyolefins, polyesters, polycarbonates, polyurethanes, polyamides, and polyethers. The depolymerization of the above polymers produces the monomers or intermediates, which can be used again for polymerization and thus brings the waste polymers back into circularity. The overview debates the usage of high temperaagents, etc., in metal-catalyzed depolymerization. Thus, this review summarizes the current understanding of the fundamental science of metal-catalyzed plastic depolymerization, the remaining scientific challenges, and the potential opportunities.

}, doi = {10.1016/j.xcrp.2023.101341}, author = {Khopade, Kishor V. and Chikkali, Samir H. and Barsu, Nagaraju} } @article {49007, title = {Metal-organic framework-derived mesoporous B-doped CoO/Co@N-doped carbon hybrid 3D heterostructured interfaces with modulated cobalt oxidation states for alkaline water splitting}, journal = {Small}, volume = {19}, year = {2023}, month = {AUG}, type = {Article}, abstract = {

Heteroatom-doped transition metal-oxides of high oxygen evolution reaction (OER) activities interfaced with metals of low hydrogen adsorption energy barrier for efficient hydrogen evolution reaction (HER) when uniformly embedded in a conductive nitrogen-doped carbon (NC) matrix, can mitigate the low-conductivity and high-agglomeration of metal-nanoparticles in carbon matrix and enhances their bifunctional activities. Thus, a 3D mesoporous heterostructure of boron (B)-doped cobalt-oxide/cobalt-metal nanohybrids embedded in NC and grown on a Ni foam substrate (B-CoO/Co@NC/NF) is developed as a binder-free bifunctional electrocatalyst for alkaline water-splitting via a post-synthetic modification of the metal-organic framework and subsequent annealing in different Ar/H-2 gas ratios. B-CoO/Co@NC/NF prepared using 10\% H-2 gas (B-CoO/Co@NC/NF [10\% H-2]) shows the lowest HER overpotential (196 mV) and B-CoO/Co@NC/NF (Ar), developed in Ar, shows an OER overpotential of 307 mV at 10 mA cm(-2) with excellent long-term durability for 100 h. The best anode and cathode electrocatalyst-based electrolyzer (B-CoO/Co@NC/NF (Ar)(+)//B-CoO/Co@NC/NF (10\% H-2)(-)) generates a current density of 10 mA cm(-2) with only 1.62 V with long-term stability. Further, density functional theory investigations demonstrate the effect of B-doping on electronic structure and reaction mechanism of the electrocatalysts for optimal interaction with reaction intermediates for efficient alkaline water-splitting which corroborates the experimental results.

}, keywords = {3D heterostructures, B-doped metal-oxides, electrocatalysts, hydrogen evolution reactions, metal-organic frameworks, oxygen evolution reactions}, issn = {1613-6810}, doi = {10.1002/smll.202301405}, author = {Cha, Dun Chan and Singh, Thangjam Ibomcha and Maibam, Ashakiran and Kim, Tae Hyeong and Nam, Dong Hwan and BabaRao, Ravichandar and Lee, Seunghyun} } @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 {48765, title = {MnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {APR}, pages = {7245-7258}, type = {Article}, abstract = {

Activation of the C-H bond in cyclohexane (CYH) and methane is a crucial step to obtain desirable oxygenated products using nanostructured catalyst and is a great challenge and an efficient route to mitigate the inauspicious effects of climate change. The active sites were identified using XRD, HR-TEM, SEM, N2 sorption analysis, TPR, Raman, XPS, TGA, in situ DRIFT, XAS, etc. In optimal reaction conditions, 46\% of CYH was converted into adipic acid (AA) on MnxWO4 nanostructures within 6 h. The recyclability test confirmed the catalyst heterogeneity, which revealed no appreciable loss of catalytic activity even after three consecutive reactions. In situ DRIFT study reveals that CYH is oxidized to cyclohexanone and cyclohexanol (KA oil) and is further oxidized to AA via carboxylate intermediates. DFT studies disclosed that MnOx species are responsible for the C-H activation of CYH, and the Mn2+/Mn3+ redox centers play a vital role in the absorption of KA oil to form AA. Herein, we demonstrated the significant role of the {\textquoteleft}{\textquoteleft}MnOx{\textquoteright}{\textquoteright} species and that adequate Lewis and Bronsted acidic sites, redox centers of (Mn2+/Mn3+), and lattice oxygen are accountable for the CYH conversion toward the AA. Additionally, we have reported the oxidation of methane to methanol (146 mu mole per gram of catalyst) in the presence of water at 75 degrees C without over-oxidation products.

}, keywords = {Adipic Acid, C-H bond activation, Cyclohexane oxidation, methane activation, MnOx chain, Redox center}, doi = {10.1021/acsanm.3c00319}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Samal, Pragnya Paramita and Gurrala, Lakshmi Prasad and Mekala, Siva Prasad and Archana, Ramakrishnan and Nayak, Chandrani and Bhattacharyya, D. and Jha, S. N. and Krishnamurty, Sailaja and Raja, Thirumalaiswamy} } @article {49137, title = {Modular TiO2-squaraine dyes/electrolyte interface for dye-sensitized solar cells with cobalt electrolyte}, journal = {Chemphotochem}, volume = {7}, year = {2023}, month = {APR}, type = {Article}, abstract = {

Strategies to diminish both charge recombination and aggregation of dyes on the photoanode by functionalizing the sensitizer with alkyl groups is the best approach to achieve high dyesensitized solar cell (DSSC) efficiency. Development of such a photoanode with NIR-active dyes which is compatible with a cobalt electrolyte is important to enhance the photovoltaic performance. In this report, alkyl-group-wrapped donor-acceptor-donor (D-A-D) based unsymmetrical squaraine dyes have been used for DSSC device characterization with a cobalt electrolyte. Surface passivation of photoanode was varied systematically by the extent of functionalization with alkyl groups to avoid charge recombination. DSSC device performance of 5.92\% was achieved for an alkyl-group-wrapped squaraine dye with a cobalt electrolyte. Hence, appending the alkyl groups on the donor unit of squaraine dyes helps passivating the photoanode, whereas introducing hydrophilic groups provides a leaky surface where oxidized electrolyte species reach the titanium-metal-oxide surface which promotes the charge recombination process.

}, keywords = {counter-electrode, DSSC device efficiency, Dye-sensitized solar cells, Electrolytes, unsymmetrical squaraine dye}, issn = {2367-0932}, doi = {10.1002/cptc.202200171}, author = {Singh, Ambarish Kumar and Sudhakar, Vediappan and Javaregowda, Bharathkumar H. and Bisht, Rajesh and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48701, title = {Multi-bandgap quantum dots ensemble for near-infrared photovoltaics}, journal = {Energy Technology}, volume = {11}, year = {2023}, month = {JUN}, type = {Article}, abstract = {

Narrow bandgap quantum dots (QDs) are an important class of materials for near-infrared (NIR) optoelectronic devices owing to their size-tunable bandgap and chemical root processing. In photovoltaic applications, NIR QDs could be particularly useful to complement the sub-bandgap transmission loss of NIR solar radiation from perovskite and c-Si solar cells. However, insufficient carrier extraction thickness associated with the narrow NIR excitonic bandwidth of QDs limits the conversion efficacy of the broad NIR solar spectrum. Here, we utilize a multi-bandgap QD ensemble which widens the NIR absorption bandwidth to mimic the broad solar spectrum. A solution-phase ligand passivation strategy is used to control doping properties and energy level alignment of multi-bandgap QDs. We successfully developed bulk-heterojunction solar cells using the multi-bandgap QD ensemble, which yields higher carrier extraction thickness and broader NIR absorption. The gain from NIR absorption and carrier transport resulted in higher short-circuit current generation and power conversion efficiency (PCE) in solar cell devices. The champion device shows 8.73\% PCE under 1.5 AM solar illumination and 7.44\% and 5.05\% PCE for the NIR photons transmitted from perovskite and c-Si layers.

}, keywords = {bulk-heterojunctions, multi-bandgap, near-infrared, quantum dots, solar cells, surface passivation}, issn = {2194-4288}, doi = {10.1002/ente.202201375}, author = {Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Rath, Arup K.} } @article {48767, title = {MXene surface terminations: a perspective}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {OCT }, pages = {20197-20206}, type = {Article}, abstract = {

Two-dimensional (2D) transition metal carbides and nitrides are among the newest, and probably largest, families of 2D materials that have been discovered. They have shown promise in many applications, such as electromagnetic shielding, energy storage devices like batteries and supercapacitors, transparent conductive electrodes, as catalysts for hydrogen production, and several others. Their general formula is Mn+1XnTz (n = 1-4) or M1.33XTz, where M is an early transition metal, X is carbon and/or nitrogen, and T-z represents various terminations present upon etching the Al layer. The first MXene discovered, Ti3C2Tz, was synthesized by etching aluminum (Al) from the nanolaminated MAX phase Ti3AlC2 using hydrofluoric acid (HF). Since the discovery of Ti3C2Tz in 2011, more than 30 other MXene chemistries have been reported with different M and X elements. It has been observed that, as expected, changing the MXene chemistry also influences the properties in the range of applications listed above, allowing us to tailor them according to what suits the application of interest the best. Unlike the success in tailoring the M and X elements over the years, attempts to engineer T-z was, until recently, a challenge. A series of recent discoveries and an improved understanding of MXene surface properties has now rendered the customization of T-z possible. This progress added a new {\textquoteleft}{\textquoteleft}knob{\textquoteright}{\textquoteright} that can be turned to further tune MXene properties. The majority of this Perspective is focused on surface terminations: their engineering, characterization, and effect on MXene properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c04324}, author = {Natu, Varun and Barsoum, Michel W.} } @article {48781, title = {Nanopore sequencing of RAGE gene polymorphisms and their association with type 2 diabetes}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUL}, pages = {25727-25738}, type = {Article}, abstract = {

The receptor foradvanced glycation end products (RAGE)is a transmembraneprotein that interacts with its ligands, advanced glycation end products(AGEs). AGEs are elevated in diabetes and diabetic complications,leading to increased oxidative stress and activation of pro-inflammatorypathways facilitated by AGE-RAGE signaling. Polymorphisms inthe RAGE gene can potentially affect AGE-RAGEinteraction and its downstream signaling, which plays a crucial rolein the progression of diabetes and its complications. In this study,we used nanopore sequencing for genotyping of RAGE polymorphism and identified a maximum number of 33 polymorphisms,including two previously unreported novel mutations in a cohort ofhealthy, type 2 diabetics without nephropathy and type 2 diabeticswith nephropathy in order to identify associations. Two novel RAGE polymorphisms in the intron 8 and 3 \& PRIME;UTR regionat genomic locations 32181834 and 32181132, respectively, were detectedwith a low frequency. For four previously reported polymorphisms,cross-validation by PCR-RFLP showed 99.75\% concordance with nanoporesequencing. Analysis of genotype distribution and allele frequenciesrevealed that five single nucleotide polymorphisms, i.e., rs1800625,rs3131300, rs3134940, rs2070600, and rs9391855, were associated withan increased risk for type 2 diabetes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c00297}, author = {Chaurasiya, Arvindkumar H. and Khilari, Ajinkya A. and Kazi, Rubina and Jaiswal, Meera R. and Bhoite, Gouri M. and Padwal, Meghana K. and Momin, Abdulrahaman A. and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article {48834, title = {Nanosilica from Averrhoa bilimbi juice pre-treated rice husk: preparation and characterization}, journal = {Journal of Cleaner Production}, volume = {413}, year = {2023}, month = {AUG }, pages = {137476}, type = {Article}, abstract = {

The preparation of nanosilica from rice husk without using any concentrated mineral acids is a novel concept. This work proposes a bioleaching strategy to remove metallic impurities from rice husk for the preparation of nanosilica. Herein, nanosilica (BJRHS) was prepared by calcinating Averrhoa bilimbi juice pre-treated rice husks in a muffle furnace. The chemical and atomic structures of commercial precipitated silica (CS), rice husk ash (RHA), and BJRHS were analyzed using different analytical techniques. The optimal leaching time, calcination temperature, and calcination time were 1 h, 500 degrees C, and 6 h respectively. The particle size of BJRHS was found to be 6-12 nm, which is less than that of RHA and CS. The BET surface area of BJRHS (204 m2/g) was found to be greater than RHA (110.5 m2/g) and CS (172.1 m2/g). Mesoporous nanosilica with excellent surface area and purity was produced sustainably from rice husk which could be recommended to use in the field of catalysis, polymer technology, etc.

}, keywords = {Averrhoa bilimbi juice, Bioleaching, Nanosilica, rice husk}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2023.137476}, author = {Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Joseph, Rani and Rosa, Derval dos Santos and Duan, Yongxin and Balan, Aiswarya and Ajithkumar, T. G. and Soumya, Mary and Shelke, Ankita and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {48272, title = {Nanostructured Co-doped BiVO4 for efficient and sustainable photoelectrochemical chlorine evolution from simulated sea-water}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {FEB}, pages = {2051-2061}, type = {Article}, abstract = {

The co-production of hydrogen and chlorine from sea-water splitting could be a potential, sustainable and attractive route by any method. However, challenges to overcome are many, and critically, the sustainability and operating potential of the electrocatalyst are important. In this work, we report on Co-doping in the BiVO4 (Co-BV) crystal lattice and employed the same as the photoanode; Co-BV exhibits a photocurrent of 190 mu A cm(-2) at 1.1 V vs. RHE (the reversible hydrogen electrode) in the acidic sodium chloride solution (pH 2.3) under one sun illumination. The best-performing photoanode, with 0.05 mol\% of Co doping (0.05 Co-BV), selectively produced active chlorine with 92\% faradaic efficiency at 1.1 V vs. RHE by successfully suppressing the kinetically sluggish oxygen evolution reaction (OER) and the stability of the catalyst was demonstrated for up to 20 h. This is the lowest operating potential reported for the chlorine evolution reaction (CER), thus far. The overpotential required for CER with 0.05 Co-BV is lower than that of OER, which leads to selective CER at 1.1 V (vs. RHE). Co-doping into the BiVO4 lattice decreases the charge transfer resistance and enhances the CER kinetics due to its structural and electronic integration with the BV lattice. We demonstrate that Co-doping also improves the lifetime of the charge carrier and enhances the current density of CER and sustainability of the catalyst.

}, issn = {1477-9226}, doi = {10.1039/d2dt03369k}, author = {Chauhan, Inderjeet and Patra, Kshirodra Kumar and Bajpai, Himanshu and Mhamane, Nitin B. and Salgaonkar, Kranti N. and Gopinath, Chinnakonda S.} } @article {48760, title = {NHC-catalyzed enantioselective synthesis of tetracyclic δ-lactones by (4+2) annulation of ortho-quinodimethanes with activated ketones}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {OCT }, pages = {7852-7857}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-catalyzed generation of ortho-quinodimethanes (o-QDMs) from 9H-fluorene-1-carbaldehydes followed by the interception with activated ketones resulting in the enantioselective synthesis of tetracyclic delta-lactones is presented. High diastereoselectivity of products, remote C-(sp(3))-H functionalization, broad substrate scope, and mild reaction conditions are the notable features of the present (4 + 2) annulation.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c03076}, author = {Sarkar, Deeptanu and Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48752, title = {N-heterocyclic carbene-catalyzed atroposelective synthesis of N-N axially chiral 3-amino quinazolinones}, journal = {ACS Catalysis}, volume = {13}, year = {2023}, month = {JUN }, pages = {8752-8759}, type = {Article}, abstract = {

Although the atroposelective synthesisof biaryls and related compoundsbearing axially chiral C-C bonds is well-known, the synthesisof axially chiral C-N bond-containing compounds is relativelyless explored, and the construction of axially chiral N-N bondshas received only scant attention. Demonstrated herein is the N-heterocycliccarbene (NHC)-catalyzed selective amidation reaction, leading to theatroposelective synthesis of N-N axially chiral 3-amino quinazolinones.The NHC-catalyzed reaction of quinazolinones containing a free N-Hmoiety with \& alpha;,\& beta;-unsaturated aldehydes under oxidativeconditions furnished the atropisomeric quinazolinone derivatives undermild conditions and broad scope. Preliminary studies on experimentaland density functional theory-based N-N rotational barrierdetermination are also presented.

}, keywords = {amino quinazolinones, asymmetriccatalysis, axial chirality, N-heterocycliccarbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.3c01709}, author = {Balanna, Kuruva and Barik, Soumen and Barik, Shilpa and Shee, Sayan and Manoj, Niket and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48667, title = {Non-confined gamma monoclinic sulfur cathode in carbonate electrolyte based room temperature K-S batteries}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {11}, year = {2023}, month = {JUL}, pages = {15924-15930}, type = {Article}, abstract = {

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

}, issn = {2050-7488}, doi = {10.1039/d3ta01751f}, author = {Pai, Rahul and Cardoza, Neal Amadeus and Natu, Varun and Barsoum, Michel W. and Kalra, Vibha} } @article {48451, title = {Oligothiophene-ring-strapped perylene bisimides: functionalizable coaxial donor-acceptor macrocycles}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

Aesthetic designs from nature enable new knowledge to be gained and, at the same time, inspire scientific models. In this context, multicomponent macrocycles embody the advantage of precisely positioning the structural units to achieve efficient communication between them. However, the construction of a functionalizable macrocycle for ultrafast charge separation and stabilization has not been attempted. Herein, we report the synthesis, crystal structure, and transient absorption of a new functionalizable macrocycle consisting of an oligothiophene-ring-strapped perylene bisimide. Transient absorption results point to a sequential improvement in charge separation and stabilization from the macrocycle to the corresponding linear dimer and 2D polymer due to the unique design. Our macrocycle design with a supportive spatial arrangement of the donor and acceptor units will inspire the development of more complex synthetic systems with exciting electron-transfer and charge-separation features.

}, keywords = {Charge Separation, Donor-Acceptor Systems, Electron Transfer, Macrocycles, Perylene Bisimides}, issn = {1433-7851}, doi = {10.1002/anie.202212934}, author = {Dnyaneshwar Veer, Sairam and Chandrakant Wakchaure, Vivek and Asokan, Kiran and Dixit, Ruchi and Goswami, Tanmay and Saha, Ramchandra and Gonnade, Rajesh and Ghosh, Hirendra N. and Santhosh Babu, Sukumaran} } @article {48260, title = {Organophosphites: an addition to the arsenal of organocatalysts}, journal = {European Journal of Organic Chemistry}, volume = {26}, year = {2023}, month = {JAN}, type = {Review}, abstract = {

Organophosphites are nucleophilic in nature and can act as a good leaving group owing to the stability of the phosphite anion. This dual reactivity makes them good candidates for nucleophilic organocatalysis. However, phosphites were introduced only in 2004 as the umpolung catalyst for acylsilane substrates utilizing sequential Brook rearrangements. Very recently, phosphites have been reported to catalyze aza-rearrangements and radical reactions. In this review, we discuss the reactivity parameters to understand its lack of use, as well as the potential for catalysis.

}, keywords = {acylradical, azaacyl equivalent, cylanion, organocatalysis, phosphite}, issn = {1434-193X}, doi = {10.1002/ejoc.202201238}, author = {Baral, Nilofar and Rani, Soniya and Saikia, Pinku and Maity, Pradip} } @article {48811, title = {Origin of optoelectronic contradictions in 3,4-cycloalkyl[c]-chalcogenophenes: a computational study}, journal = {Polymers}, volume = {15}, year = {2023}, month = {NOV}, pages = {4240}, type = {Article}, abstract = {

The planar morphology of the backbone significantly contributes to the subtle optoelectronic features of pi-conjugated polymers. On the other hand, the atomistic tuning of an otherwise identical pi-backbone could also impact optoelectronic properties systematically. In this manuscript, we compare a series of 3,4-cycloalkylchalcogenophenes by tuning them atomistically using group-16 elements. Additionally, the effect of systematically extending these building blocks in the form of oligomers and polymers is studied. The size of the 3,4-substitution affected the morphology of the oligomers. In addition, the heteroatoms contributed to a further alteration in their geometry and resultant optoelectronic properties. The chalcogenophenes, containing smaller 3,4-cycloalkanes, resulted in lower bandgap oligomers or polymers compared to those with larger 3,4-cycloalkanes. Natural bonding orbital (NBO) calculations were performed to understand the disparity alongside the contour maps of frontier molecular orbitals (FMO).

}, keywords = {chalcogenophene, DFT calculation, Morphology, optoelectronic properties, steric effect}, doi = {10.3390/polym15214240}, author = {Masilamani, Ganesh and Krishna, Gamidi Rama and Debnath, Sashi and Bedi, Anjan} } @article {48671, title = {Palladium-catalyzed polar solvent empowered synthesis of hyper-branched ethylene oligomers and their applications}, journal = {Polymer Chemistry}, volume = {14}, year = {2023}, month = {JUL}, pages = {3239-3251}, type = {Article}, abstract = {

In this contribution, we report the synthesis of two naphthoxy imine ligands, 2-(((2,6-dibenzhydryl-4-methoxyphenyl)imino)methyl)naphthalen-1-ol (L1) and 2-(((2,6-diisopropylphenyl)imino)methyl)naphthalen-1-ol (L2), with different steric and electronic features. L1 and L2 were treated with [(TMEDA)PdMe2] to obtain the corresponding neutral palladium(ii) complexes Cat.1 and Cat.2 in excellent yields. The identity of Cat.1 and Cat.2 was unambiguously ascertained using a combination of spectroscopic and analytical methods, including single-crystal X-ray diffraction. When exposed to 5 bar ethylene pressure, Cat.1 produced hyperbranched ethylene oligomers. The microstructure analysis of ethylene oligomers confirmed the existence of methyl, ethyl, propyl, and sec-butyl branches, with a molecular weight (M-n) of 500-1400 g mol(-1), a PDI of 1.46-2.10, and 67-106 branches per 1000 carbon atoms. The use of a polar solvent, tetrahydrofuran, led to a remarkable 3-fold increase in oligomerization activity without compromising the branching and molecular weight. The resultant hyperbranched ethylene oligomers were selectively monofunctionalized using industrially practiced hydroformylation, ozonolysis, and epoxidation, almost quantitatively. The hydroxy functionalized ethylene oligomer (F4) (5 wt\%) was melt-compounded with LLDPE and Nylon-6 to produce a tough yet flexible blend with a higher strain-to-failure as compared to an uncompatibilized blend.

}, issn = {1759-9954}, doi = {10.1039/d3py00311f}, author = {Birajdar, Rajkumar S. and Gonnade, Rajesh G. and Pol, Harshawardhan V. and Prabhu, M. Basava and Rokade, Dhammaraj and Nandimath, Sheetal and Chikkali, Samir H.} } @article {48476, title = {Parallel evolution of cannabinoid biosynthesis}, journal = {Nature Plants}, volume = {9}, year = {2023}, month = {MAY}, pages = {817+}, type = {Article}, abstract = {

This study reveals a cannabinoid biosynthetic pathway in Helichrysum umbraculigerum, a plant genetically distant from Cannabis, providing a potential source of new cannabinoids and metabolic engineering tools. Modulation of the endocannabinoid system is projected to have therapeutic potential in almost all human diseases. Accordingly, the high demand for novel cannabinoids stimulates the discovery of untapped sources and efficient manufacturing technologies. Here we explored Helichrysum umbraculigerum, an Asteraceae species unrelated to Cannabis sativa that produces Cannabis-type cannabinoids (for example, 4.3\% cannabigerolic acid). In contrast to Cannabis, cannabinoids in H. umbraculigerum accumulate in leaves{\textquoteright} glandular trichomes rather than in flowers. The integration of de novo whole-genome sequencing data with unambiguous chemical structure annotation, enzymatic assays and pathway reconstitution in Nicotiana benthamiana and in Saccharomyces cerevisiae has uncovered the molecular and chemical features of this plant. Apart from core biosynthetic enzymes, we reveal tailoring ones producing previously unknown cannabinoid metabolites. Orthology analyses demonstrate that cannabinoid synthesis evolved in parallel in H. umbraculigerum and Cannabis. Our discovery provides a currently unexploited source of cannabinoids and tools for engineering in heterologous hosts.

}, issn = {2055-026X}, doi = {10.1038/s41477-023-01402-3}, author = {Berman, Paula and de Haro, Luis Alejandro and Jozwiak, Adam and Panda, Sayantan and Pinkas, Zoe and Dong, Younghui and Cveticanin, Jelena and Barbole, Ranjit and Livne, Rotem and Scherf, Tali and Shimoni, Eyal and Levin-Zaidman, Smadar and Dezorella, Nili and Petrovich-Kopitman, Ekaterina and Meir, Sagit and Rogachev, Ilana and Sonawane, Prashant D. and Aharoni, Asaph} } @article {48308, title = {Pd loaded bismuth ferrite: a versatile perovskite for dual applications as acetone gas sensor and photocatalytic dye degradation of malachite green}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {FEB}, pages = {5738-5747}, type = {Article}, abstract = {

Herein we report the palladium loaded bismuth ferrite for its bidirectional application as acetone gas sensor and photocatalytic dye degradation of malachite green. The motivation for loading Pd on bismuth ferrite (BFO) is due to its fascinating catalytic redox reactions causing faster adsorption and desorption of the oxygen molecules over the metal oxide. The planned perovskites were developed via surfactant assisted sol-gel auto-combustion route, and characterized their physico-chemical properties using XRD, SEM, TEM, HRTEM, EDAX, XPS and BET. The developed BFO showed the best selectivity towards acetone, whose response was 69\% at 300 degrees C operating temperature for 500 ppm gas concentration. By tuning the surface area and catalytic behavior using CTAB and Pd loading, respectively, the enhancement in the gas response properties of BFO was achieved to 95\% with the response and recovery time of 75 s and 104 s. The 1 wt\% Pd loaded BFO showed the highest response (95\%) in comparison to rest of the Pd loadings (0.5, 1.5 and 2.0 wt\%). Moreover, the sunlight driven photocatalytic dye degradation of malachite green is carried out at 1 h exposure time. Here as well, 1 wt\% Pd loaded BFO exhibited the maximum dye degradation efficiency of 51\%. The results of this study demonstrate the developed perovskites have a significant potential for the use in dual applications such as acetone gas sensor and MG photocatalysis.

}, keywords = {Acetone sensor, Bismuth ferrite, Palladium loading, Photo dye -degradation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.10.153}, author = {Ghadage, Pandurang and Kodam, Pavan and Nadargi, Digambar and Patil, Suraj and Tamboli, Mohaseen and Bhandari, Nagesh and Mulla, Imtiaz and Park, Chinho and Suryavanshi, Sharad} } @article {48723, title = {Pd nanoparticles supported on N-incorporated hybrid organosilica as an active and selective low-temperature phenol hydrogenation catalyst}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {JUN}, pages = {11500-11512}, type = {Article}, abstract = {

A heterogeneous Pd-NPMO hybrid-silicacatalyst is synthesized andits application for aqueous phase selective hydrogenation of phenolto cyclohexanone at near ambient temperature (40 degrees C) and underatmospheric hydrogen pressure is demonstrated. The homogeneously distributedPd nanoparticles on N-bridged hybrid mesoporous organosilica showedremarkable activity and selectivity for cyclohexanone compared tothe unmodified Pd-SBA-15 catalyst. Control experiments strongly claimthe role of nitrogen domains in the organic framework of hybrid silicasupport in stabilizing small Pd nanoparticles and possibly modifyingthe Pd sites responsible for catalysis to activate the substrate moleculesin water. The hybrid silica catalyst was stable and reused severaltimes without any significant drop-in activity, proving the heterogeneityof the bifunctional Pd catalyst. Based on the density functional theorystudy and experimental interventions, a possible reaction mechanismfor the low-temperature phenol hydrogenation explaining the role oforganic domains in the hybrid-silica framework is proposed.

}, keywords = {cyclohexanone, Hybrid silica, palladium nanoparticles, Periodic mesoporous organosilica, phenol hydrogenation}, doi = {10.1021/acsanm.3c01540}, author = {Betsy, K. J. and Bajpai, Priyam and Lazar, Anish and Vanka, Kumar and Vinod, C. P.} } @article {48926, title = { Phased short-interfering RNA siRD29(-) regulates GIBBERELLIN 3-OXIDASE 3 during stolon-to-tuber transitions in potato}, journal = {Plant Physiology }, volume = {193}, year = {2023}, month = {NOV }, pages = {2555-2572}, type = {Article}, abstract = {

Phased short-interfering RNAs (phasiRNAs) fine tune various stages of growth, development, and stress responses in plants. Potato (Solanum tuberosum) tuberization is a complex process, wherein a belowground modified stem (stolon) passes through developmental stages like swollen stolon and minituber before it matures to a potato. Previously, we identified several phasiRNA-producing loci (PHAS) from stolon-to-tuber transition stages. However, whether phasiRNAs mediate tuber development remains unknown. Here, we show that a gene encoding NB-ARC DOMAIN-CONTAINING DISEASE RESISTANCE PROTEIN (StRGA4; a PHAS locus) is targeted by Stu-microRNA482c to generate phasiRNAs. Interestingly, we observed that one of the phasiRNAs, referred as short-interfering RNA D29(-), i.e. siRD29(-), targets the gibberellin (GA) biosynthesis gene GIBBERELLIN 3-OXIDASE 3 (StGA3ox3). Since regulation of bioactive GA levels in stolons controls tuber development, we hypothesized that a gene regulatory module, Stu-miR482c-StRGA4-siRD29(-)-StGA3ox3, could govern tuber development. Through transient expression assays and small RNA sequencing, generation of siRD29(-) and its phase was confirmed in planta. Notably, the expression of StGA3ox3 was higher in swollen stolon compared to stolon, whereas siRD29(-) showed a negative association with StGA3ox3 expression. Antisense (AS) lines of StGA3ox3 produced more tubers compared to wild type. As expected, StRGA4 overexpression (OE) lines had high levels of siRD29(-) and mimicked the phenotypes of StGA3ox3-AS lines, indicating the functionality of this module in potato. In vitro tuberization assays (with or without a GA inhibitor) using StGA3ox3 antisense lines and overexpression lines of StGA3ox3 or StRGA4 revealed that StGA3ox3 controls the tuber stalk development. Taken together, our findings suggest that a phasiRNA, siRD29(-), mediates the regulation of StGA3ox3 during stolon-to-tuber transitions in potato. A phasiRNA module, Stu-miR482c-StRGA4-siRD29(-), regulates the expression of a gibberellin biosynthesis gene StGA3ox3 during stolon-to-tuber transitions in potato.

}, issn = {0032-0889}, doi = {10.1093/plphys/kiad493}, author = {Malankar, Nilam and Kondhare, Kirtikumar and Saha, Kishan and Mantri, Mohit and Banerjee, Anjan} } @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 {48797, title = {Photo-stable, 1D-nanofilaments TiO2-based lepidocrocite for photocatalytic hydrogen production in water-methanol mixtures}, journal = {Matter}, volume = {6}, year = {2023}, month = {SEP}, pages = {2853-2869}, type = {Article}, abstract = {

Water and sunlight are the cleanest, most renewable, and abundant resources on Earth. Developing inexpensive, scalable photocatalysts that are highly stable for hydrogen (H-2) production has long been a cherished dream of humanity. Herein, we report on one-dimensional lepidocrocite-based sub-nanofilaments (NFs), approximate to 5 x 7 \& Aring;(2) in cross-section, that generate H-2 from 80:20 v/v water/methanol mixtures when illuminated by simulated sunlight. The NFs were stable in the mixtures for times \>4,300 h, 300 h of which were under irradiation. Apparent quantum yields as high as 11.7\% were obtained. Based on deuterated water results, we conclude that water is the H-2 source. Further, no carbon dioxide (CO2) due to photocatalytic degradation of methanol was detected. Therefore, the NFs have strong green credentials and lucrative economic prospects for large scale up. We expect these NFs will lead to new lines for developing cheap and ultra-stable materials to produce H-2 photochemically for a long time.

}, issn = {2590-2393}, doi = {10.1016/j.matt.2023.05.026}, author = {Badr, Hussein O. and Natu, Varun and Neatu, Stefan and Neatu, Florentina and Kuncser, Andrei and Rostas, Arpad M. and Racey, Matthew and Barsoum, Michel W. and Florea, Mihaela} } @article {48759, title = {Polyethylene-grafted sheet-like silsesquioxane nanocomposites with unprecedented adhesion to polar substrates}, journal = {ACS Applied Polymer Materials}, volume = {5}, year = {2023}, month = {JUL}, pages = {5972-5983}, type = {Article}, abstract = {

Polyethylene is a highly apolar polymer with very pooradhesionto most substrates, necessitating the use of tie layers. Therefore,the synthesis of functional polyethylene is a long-standing challengein catalytic ethylene polymerization. Here, we report the preparationof a nanocomposite comprising polyethylene covalently grafted ontosheet-like silsesquioxanes, with unprecedented adhesion to metal andglass. A norbornene-grafted, layered Mg-silsesquioxane is treatedwith Grubbs second-generation catalyst (G-II), and the identity ofcovalently tethered G-II is unambiguously ascertained. Covalentlytethered G-II catalyzes the ring opening metathesis polymerizationof cyclooctene to poly(cyclooctene). The resulting poly(cyclooctene)is catalytically hydrogenated to yield polyethylene. This polyethylenenanocomposite exhibited a bonding strength of the order of 100 MPaon stainless steel and aluminum, 10-fold higher than reported forengineered polyethylene copolymers. The nanocomposite exhibits anincrease in the polar component of surface energy, yet remains compatibleand cocrystallizes with a polyethylene matrix.

}, keywords = {adhesion, clay, Nanocomposite, Polyethylene, silsesquioxane}, issn = {2637-6105}, doi = {10.1021/acsapm.3c00649}, author = {Sharma, Vivek and Paulbudhe, Uday and Bachhar, Nirmalya and Chikkali, Samir H. and Kumaraswamy, Guruswamy} } @article {48919, title = {Polymerizable solvent-free organic liquids: a new approach for large area flexible and foldable luminescent films}, journal = { Angewandte chemie-international editon }, volume = {62}, year = {2023}, month = {AUG}, type = {Article}, abstract = {

The high demand for light-emitting and display devices made luminescent organic materials as attractive candidates. Solvent-free organic liquids are one of the promising emitters among them due to the salient features. However, the inherent limitations of forming sticky and noncurable surfaces must be addressed to become an alternate emitter for large-area device applications. Herein, we functionalized solvent-free organic liquids having monomeric emission in bulk with polymerizable groups to improve the processability. The polymerizable group on carbazole, naphthalene monoimide, and diketopyrrolopyrrole-based solvent-free liquid emitters enabled on-surface polymerization. These emitters alone and in combinations can be directly coated on a glass substrate without the help of solvents. Subsequent photo or thermal polymerization leads to stable, non-sticky, flexible, foldable, and free-standing large-area films with reasonably high quantum yield. Our demonstration of the tunable and white light-emitting films using polymerizable solvent-free liquids might be a potential candidate in flexible/foldable/stretchable electronics. The new concept of polymerizable liquid can be extended to other functional features suitable for futuristic applications.

}, keywords = {Energy Transfer, polymerization, Solvent-Free Organic Liquids, Thin-Film, White Light}, issn = {1433-7851}, doi = {10.1002/anie.202307381}, author = {Wakchaure, Vivek Chandrakant and Veer, Sairam Dnyaneshwar and Nidhankar, Aakash D. and Kumar, Viksit and Narayanan, Aswini and Babu, Sukumaran Santhosh} } @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 {48800, title = {Possible handle for broadening the catalysis regime towards low temperatures: proof of concept and mechanistic studies with CO oxidation on surface modified Pd-TiO2}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG }, pages = {22040-22054}, type = {Article}, abstract = {

The present work demonstrates the effect of temperature-dependent surface modification (SM) treatment and its influence in broadening the catalysis regime with Pd-TiO2 catalysts prepared by various methods. Due to SM induced changes, a shift in the onset of CO oxidation activity as well as broadening of the oxidation catalysis regime by 30 to 65 K to lower temperatures is observed compared to the temperature required for virgin counterparts. SM carried out at 523 K for Pd-Photo-TiO2 exhibits the lowest onset (10\% CO2 production - T-10) and T-100 for CO oxidation at 360 and 392 K, respectively, while its virgin counterpart shows T-10 and T-100 at 393 and 433 K, respectively. The SMd Pd-TiO2 catalysts were investigated using X-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS) and atomic force microscopy (AFM). It is observed that diffusion of atomic oxygen into Pd-subsurfaces leads to SM and changes the nature of the surface significantly. These changes are demonstrated by work function (\& phi;), surface potential, catalytic activity, and correlation among them. UPS results demonstrate the maximum increase in \& phi; by 0.5 eV for Pd-Photo-TiO2 after SM, compared to all other catalysts. XPS study shows a moderate to severe change in the oxidation states of Pd due to atomic oxygen diffusion into the subsurface layers of Pd. Kelvin probe force microscopy (KPFM) study also reveals corroborating evidence that the surface potential increases linearly with increasing temperature deployed for SM up to 523 K, followed by a marginal decrease at 573 K. The \& phi; measured by KPFM and UPS shows a similar trend and correlates well with the changes in catalysis observed. Our results indicate that there is a strong correlation between surface physical and chemical properties, and \& phi; changes could be considered as a global marker for chemical reactivity.

}, issn = {1463-9076}, doi = {10.1039/d3cp01122d}, author = {Mhamane, Nitin B. B. and Panchal, Suresh and Kolekar, Sadhu K. K. and Ranjan, Ravi and Salgaonkar, Kranti N. N. and Burange, Anand S. S. and Nalajala, Naresh and Datar, Suwarna and Gopinath, Chinnakonda S. S.} } @article {49129, title = {Post-refolding stability considerations for optimization of in-vitro refolding: L-asparaginase as a case study}, journal = {Biotechnology Journal }, volume = {18}, year = {2023}, month = {APR}, type = {Article}, abstract = {

BackgroundL-Asparaginase is an essential enzyme for the food and biopharmaceutical industry. The stability, however, of L-asparaginase is widely known to be an issue. Commercial manufacturing of any biopharmaceutical involves hold-ups during processing, and can result in product loss if stability is an issue, as is the case with L-asparaginase. This interplay of product intermediate stability and process design is the focus of this investigation. Methods and ResultsIn this study, we propose a strategy to simultaneously increase the refolding yield and stability of refolded L-asparaginase so as to improve overall process yield. Using one variable at a time (OVAT) experiments, urea (6 M), solubilized inclusion bodies (15 mg/ml), refolding method (step dilution), and pH (8.6) were identified as significant process parameters. A design of experiment (DOE)-based optimization was then performed for the refolding step. The net outcome was more than a three-fold increase in enzyme recovery (i.e., 4.90 IU/ml) compared to unoptimized conditions (i.e., 1.26 IU/ml). Further, the L-asparaginase process intermediate was found to be stable for more than a week at room temperature and 2-8 degrees C, while the unoptimized sample was stable at 2-8 degrees C but did not show any activity at room temperature after 72 h. ConclusionsThe current study elucidates how process intermediate stability needs to be given due consideration during process optimization, particularly for products such as L-asparaginase which are labile.

}, keywords = {design of experiment, L-asparaginase, refolding, stability}, issn = {1860-6768}, doi = {10.1002/biot.202200505}, author = {Mihooliya, Kanti Nandan and Nitika, Nitika and Bhambure, Rahul and Rathore, Anurag S. S.} } @article {48789, title = {Promoting effect of titanium on C-O hydrogenolysis of erythritol to 1,4-butanediol over Pt/W/Ti-SBA-15 catalysts}, journal = {Applied Catalysis A-General}, volume = {666}, year = {2023}, month = {SEP }, pages = {119425}, type = {Article}, abstract = {

The C-O hydrogenolysis of erythritol was investigated using Pt/W/Ti-SBA-15 catalysts (4 wt\% Pt, 1 wt\% W and Si/Ti molar ratio = 50, 33, 20 and 10). Ti-incorporation enhanced the hydrogenolysis activity and the yield of 1,4-butanediol (1,4-BDO). A catalyst with Si/Ti = 20 afforded erythritol conversion of 94 mol\% with 1,4-BDO yield of 32.6 mol\% and total BDOs yield of 51.7 mol\% at 190 degrees C, 50 bar H2 and 12 h. For the catalyst with no titanium (Pt/W/SBA-15), a double the time was required to achieve such yield. There observed electronic connectivity amongst Ti, Pt and W. For the catalyst with Si/Ti = 20, a greater amount of interfacial Pt-O-W(Ti) sites with Pt in + 2 oxidation state was present. The enhanced catalytic performance of these catalysts was corresponded to dispersed Pt (that facilitate hydrogen activation and spillover) and acidic interfacial Pt-O-W sites (that promote the adsorption and hydrogenolysis of erythritol to diols).

}, keywords = {Biomass conversion, Erythritol, Hydrogenolysis, Polyols, Promotional effect of Ti, Terminal diol, Ti-SBA-15-supported Pt/W catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119425}, author = {Bhowmik, Susmita and Akula, Venugopal and Sethia, Govind and Marimuthu, Banu and Darbha, Srinivas} } @article {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 {49143, title = {Repurposing small molecules of Tephrosia purpurea against SARS-CoV-2 main protease}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {41}, year = {2023}, month = {SEP}, pages = {6822-6833}, type = {Article}, abstract = {

Coronavirus infection is a communicable disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) which emerged as a global pandemic with deteriorating effect on the world{\textquoteright}s population. Main protease (M-pro) of SARS-CoV-2 plays a significant role in the viral replication, transcription and disease propagation as well as a potential candidate for drug discovery and development for COVID-19 infection. The current study employed state of art structure-based drug discovery to decipher the role of phytochemicals of Tephrosia purpurea against M-pro. Tephrosia purpurea is being used as a traditional medicinal plant for the treatment of cough, breathlessness and fever as per the Indian Materia Medica. Screening of the phytochemicals of Tephrosia purpurea against M-pro was performed using molecular docking approach to identify the top 5 hits (+)-tephrorin B, deguelin, vitamin p, lanceolarin and 3beta-hydroxy-20(29)-lupene with binding energy of -8.4, -8.1, -8.0, -7.8, and -7.8 kcal/mol, respectively. Furthermore, identified top 5 hits were subjected to drug-likeness and toxicity prediction as well as MM-GBSA calculation. Out of the five molecules four molecules were predicted not to comprise any mutagenic and carcinogenic effects. Top two molecules based on the drug-likeness properties for oral bio-availability were further analysed by molecular dynamics simulation at 100 ns timescale. It was observed from the dynamic behaviour of the two complexes that the addition of these molecules changed the conformation and stability of the apo protein; thus may act as inhibitors for M-pro. Communicated by Ramaswamy H. Sarma

}, keywords = {molecular dynamics, SARS-CoV-2, Tephrosia purpurea}, issn = {0739-1102}, doi = {10.1080/07391102.2022.2112616}, author = {Sahoo, Rosaleen and Sahu, Parameswar and Swargam, Sandeep and Kumari, Indu and Behera, Banshidhar} } @article {48973, title = {Rhizospheric bacillus spp. exhibit miticidal efficacy against oligonychus coffeae (Acari: Tetranychidae) of tea}, journal = {Microorganisms}, volume = {11}, year = {2023}, month = {NOV}, pages = {2691}, type = {Article}, abstract = {

Oligonychus coffeae (Acari: Tetranychidae), popularly known as red spider mite (RSM) is one of the major pests of commercial tea (Camellia sinensis (L.) O. Kuntze) plantation world over. Many attempts have been made in the past to control this devastating pest using a variety of microbial bioagents, however, area-wise field success is very limited. We carried out an in vitro study to explore the potential of rhizospheric Bacillus spp. (B. amyloliquefaciens BAC1, B. subtilis LB22, and B. velezensis AB22) against O. coffeae through adulticidal and ovicidal activity. The 100\% adult and egg mortality was observed with bacterial suspension (1 x 10(9 )CFU/mL) by B. velezensis AB22, showing the lowest LC50 values for both adults and eggs of O. coffeae, i.e., 0.28 x 10(5) and 0.29 x 10(5), respectively. The study also throws some insights into the underlying mechanism through electron microscopy study and identification of some putative pesticidal metabolites from all the species. The three Bacillus species were observed to have four commonly secreted putative bioactive secondary metabolites, brevianamide A, heptadecanoic acid, thiolutin, and versimide responsible for their bio-efficacy against O. coffeae. The outcome of our study provides a strong possibility of introducing Bacillus spp. as a biological miticide and developing synthetic metabolites mimicking the mechanistic pathway involved in microbial bioefficacy.

}, keywords = {Bacillus spp., Biocontrol, organic tea, Secondary metabolites}, doi = {10.3390/microorganisms11112691}, author = {Bora, Popy and Gogoi, Sukanya and Deshpande, Mukund Vinayak and Garg, Pankaj and Bhuyan, Rana P. and Altaf, Nilofar and Saha, Nikita and Borah, Sapna Mayuri and Phukon, Mousumi and Tanti, Nabajit and Saikia, Bishal and Ahmed, Shenaz Sultana and Borah, Sanjib Ranjan and Dutta, Ashish and Sarmah, Bidyut Kumar} } @article {49006, title = {Robust zeolitic tetrazole framework for electrocatalytic dopamine detection with high selectivity}, journal = {Inorganic Chemistry}, volume = {62}, year = {2023}, month = {NOV }, pages = {20236-20241}, type = {Article}, abstract = {

A novel zeolitic tetrazolate framework (ZTF-8) has been synthesized by solvent-free heat-assisted (70 C-degrees) mechanochemical grinding of zinc acetate and 5-methyl tetrazole in the presence of NaOH powder. The structure of ZTF-8 adopts the zeolitic sodalite (SOD) topology with uncoordinated N-heteroatom sites and resembles the structure of the well-known zeolitic imidazole framework ZIF-8. ZTF-8 is exceptionally stable in 0.1 M aqueous acid and base solutions for 60 days at 25 C-degrees. The unique structure with uncoordinated N-heteroatom active sites and exceptional stability of ZTF-8 facilitated the electrocatalytic oxidation of dopamine to dopamine quinone at neutral pH. Without any postsynthetic modification, ZTF-8 is directly used for the facile electrochemical detection of dopamine over a wide range of concentrations (5-550 mu M) with a high sensitivity (2410.8 mu A mM-1 cm-2). It also demonstrated promising selectivity over other interferents of similar oxidation potential, such as ascorbic acid and uric acid. The DFT study revealed that the ZTF-8 framework has a higher binding energy (-145.07 kJ/mol) and stronger interaction with dopamine than its isostructural ZIF-8 structure (-130.42 kJ/mol).

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03189}, author = {Sarfudeen, Shafeeq and Sruthi, Vadakke Purakkal and Maibam, Ashakiran and Panda, Premchand and Jhariat, Pampa and Senthilkumar, Sellappan and BabaRao, Ravichandar and Panda, Tamas} } @article {48478, title = {Role of ions and their transporters in combating salt stress in Pandanus odorifer (Forssk.) Kuntze}, journal = {Acta Physiologiae Plantarum}, volume = {45}, year = {2023}, month = {MAY}, pages = {66}, type = {Article}, abstract = {

Soil salinity is a major environmental constraint causing huge losses in crop production. Pandanus odorifer (Forssk.) Kuntze is an aromatic monocot plant species belonging to the family Pandanaceae, which grows naturally on the saline soils along the coasts of Asia, Southeast Asia, and Polynesia. The plants are dioecious and highly fertile, and the consistent saline sprays, strong winds, and severe soil salinity hardly affect their growth and fertility. Hence, understanding the mechanism of high salinity tolerance in P. odorifer could provide major advances in overcoming salinity stress in crop plants. In the present study, we analyzed control (0 M NaCl) and treated (1 M NaCl treatment for 3 weeks) plants of P. odorifer to understand the role of ion distribution, ion transport, and related mechanisms under salt stress. Using a combination of ionomics and transcriptomics approaches, we identified the molecular mechanisms contributing to the high salinity stress in P. odorifer. Under NaCl stress, there was a significant increase in Na, Cl, and other ions in leaves, while the concentrations of Si, Fe, Ni, and Ti decreased. Similarly, in roots, the levels of Na, Mg, Cd, and Cr were significantly high, while the levels of other ions decreased. Most of the genes related to ion transport and homeostasis, such as NHX1, CLC-C, SOS1, HAK, and ABC transporters, were upregulated in 1 M NaCl stress conditions. This study revealed that vacuolar sequestration of Na+ and the distribution of ions in the roots and shoots play significant roles in the salt-stress tolerance mechanism of P. odorifer.

}, keywords = {Ion transport, Ionomics, Pandanus, Salinity tolerance, Transcriptomics, Vacuolar sequestration}, issn = {0137-5881}, doi = {10.1007/s11738-023-03541-8}, author = {Rashmi, Deo and Ansari, Waquar A. and Kadoo, Narendra Y. and Barvkar, Vitthal T. and Deshmukh, Rupesh and Nadaf, Altafhusain B.} } @article {48689, title = {Self-powered wearable breath sensor cum nanogenerator using AuNR-rGO-PVDF nanocomposite}, journal = {IEEE Sensors Journal}, volume = {23}, year = {2023}, month = {APR }, pages = {6473-6480}, type = {Article}, abstract = {

Breathing is the most important function of living being. It is well known that breath contains 90\% humidity along with various gases and volatile organic compounds (VOCs). These gases are released during various metabolic activities in the body. These gases present in the breath can act as biomarkers to showcase healthiness or abnormalities in the body. Therefore, breath sensors are the need of time to detect diseases at early stages and in noninvasive way. Herein, we report, simple breath sensor using Au nanorods (AuNRs) and its nanocomposite with reduced graphene oxide (rGO) and polyvinylidene fluoride (PVDF). The nanocomposites system is designed in such a way that each component has its advantages for breath sensing. Here, AuNR being a good humidity sensitive material detects the breath efficiently. The ss phased PVDF being a very good ferroelectric material, contributes for voltage generation during sensing and enables the device to be self powered. The highly conducting rGO increases the sensitivity and voltage generation by facilitating the electron transport in the nanocomposite system. The nanocomposite was optimized with respect to PVDF, rGO and Au concentration. The as-synthesized materials were characterized by physiochemical characterization techniques such as field emission scanning electron microscopy (FESEM), X-ray diffraction analysis (XRD), UV-Visible spectroscopy, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). The ss phase formation of the PVDF was confirmed from the XRD peak at 20.41 degrees. SEM results revealed that AuNR have length 15-20 nm and aspect ratio similar to 3-4. Breath sensing tests were carried out for as synthesized nanocomposite material. The nanocomposite exhibited high sensitivity towards breath and generated the voltage of similar to 0.7 V within 0.8 s.

}, keywords = {Au nanorods (AuNRs), breath analyzer, breath sensor, nanogenerator}, issn = {1530-437X}, doi = {10.1109/JSEN.2023.3240744}, author = {Bang, Amruta D. and Ghalawat, Monika and Poddar, Pankaj and Kulkarni, Sulabha K. and Adhyapak, Parag V.} } @article {49000, title = {Shape-controlled MoO3/MnO x nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {DEC }, pages = {23442-23453}, type = {Article}, abstract = {

We have developed a highly effective shape-controlled MoO3/MnOx nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs at room temperature without any external oxidant. Electron microscopy images reveal that the MnOx material contains rod-shaped particles (length: 500-1000 nm and width: 150-200 nm) and the MoO3 species are uniformly dispersed in the MoO3/MnOx material. The MoO3/MnOx nanocatalyst calcined at 500 degrees C (MoO3/MnOx-5) contains abundant strong acid sites and an optimum ratio of Mn4+/Mn3+, which are responsible for the C-N cross-coupling reaction between 2-phenylethylamine and o-phenylenediamine, giving higher yields (\>96\%) of 2-phenylquinoxaline at mild conditions. The broad scope of this catalytic strategy at room temperature and without an external oxidant was confirmed by achieving \>90\% yields of functional 2-phenylquinoxalines from C-N cross-coupling of various o-phenylenediamines and 2-phenylethylamines. The outstanding reusability efficiency of the MoO3/MnOx-5 nanocatalyst up to five cycles without the need for a regeneration step as well as the effective scalability highlighted the practicability of the MoO3/MnOx-based catalytic protocol for carbon-heteroatom coupling reactions at room temperature and without an external oxidant. Using computational studies, the possible reasons for the selective synthesis of 2-phenylquinoxaline over the MoO3/MnOx-5 nanocatalyst were elucidated.

}, keywords = {cascade C-N cross-coupling, DFT studies, room temperature andopen air, shape-controlled MoO3/MnOx nanocatalyst, structure-activity correlation}, doi = {10.1021/acsanm.3c04820}, author = {Singh, Nittan and Putla, Suresh Babu and Pratap Singh, Chandrodai and Kalbande, Pavan Narayan and Choudhary, Priyanka and Krishnamurty, Sailaja and Krishnan, Venkata and Bhatte, Kushal and Sudarsanam, Putla} } @article {48291, title = {Short review on recent advances in porous adsorbents for separation of oxygen from atmospheric air}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {18}, year = {2023}, month = {MAR}, type = {Review}, abstract = {

Pure oxygen demand is continuously increasing worldwide due to wide applications including medical and industrial. Pressure swing adsorption (PSA) is one of the promising techniques to separate O-2 from atmospheric air. The porous solid adsorbent is a key element in the PSA to trap nitrogen (N-2) and release O-2. Several adsorbents including low silica X (LSX), zeolite 5A, ion-exchanged LSX (Li-LSX, AgLi-LSX, Ca-LSX), Engelhard titanosilicate (Na-ETS-10, Ag-ETS-10), and SSZ-13 have been investigated for adsorption of N-2 from the air. This review article is a summarization of recent research work published on O-2 separation using different porous adsorbents via PSA. This review also emphasizes on the best porous sorbent for purification of O-2 by sorption of N-2 and Ar. The adsorption capacities with experimental conditions are also rigorously discussed. The review also proposed future trends and prospects for O-2 separation. This review will be helpful to choose remarkable adsorbent for the generation pure O-2.

}, keywords = {13X zeolite, adsorbent, ETS-10, oxygen, Separation}, issn = {1932-2135}, doi = {10.1002/apj.2896}, author = {Shrotri, Aadesh R. R. and Niphadkar, Prashant S. S. and Bokade, Vijay V. V. and Utgikar, Vivek P. P. and Nandanwar, Sachin U. U.} } @article {48831, title = {Solvation structure and dynamics of a small ion in an organic electrolyte}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {440}, year = {2023}, month = {JUN}, pages = {114666}, type = {Article}, abstract = {

Organic carbonates are commonly used as electrolytes in commercial lithium-ion batteries. A detailed interpretation of the solvation structure and dynamics of the electrolyte around ions is necessary to understand the charge/discharge process in batteries. This work combines infrared absorption spectroscopy with quantum chemical calculations and molecular dynamics simulations to decipher the solvation structure of propylene carbonate, a cyclic carbonate, around the dissolved thiocyanate ion. Two dimensional infrared spectroscopy and polarization-selective pump probe spectroscopies have been utilized to extract the timescales of solvent fluctuation and the solute reorientational dynamics. The similarity in the slow timescales for the solute and the solvent dynamics signifies that similar processes control both dynamics.

}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2023.114666}, author = {Kore, Shivshankar and Sahoo, Rudhi Ranjan and Santra, Binit and Sarkar, Archishman and Chowdhury, Tubai and Deshmukh, Samadhan H. and Hazarika, Sulagna and Chatterjee, Srijan and Bagchi, Sayan} } @article {48452, title = {Speed breeding opportunities and challenges for crop improvement}, journal = {Journal of Plant Growth Regulation}, volume = {42}, year = {2023}, month = {JAN}, pages = {46-59}, type = {Article}, abstract = {

Crop improvement in light of the rapidly changing climate and the increasing human population continues to be one of the primary concerns for researchers across the globe. The rate at which current crop improvement programs are progressing is essentially inadequate to meet the food demand. There is an urgent need for redesigning the crops for climate resilience and sustainable yield and nutrition. The rate of crop improvement is largely impeded owing to the long generation time taken by crop plants during the breeding process. As a solution in this direction, speed breeding is now being practiced at a large scale to reduce generation time to accommodate multiple generations of crops per year. To enhance the efficiency of breeding, researchers are now adopting an integrated approach where speed breeding is used along with modern plant breeding and genetic engineering technologies. In the present review, we have summarized the technological aspects, opportunities, and limitations associated with speed breeding. The application of speed breeding such as mapping population development, haplotype-based breeding, transgenic breeding, and genome-edited line advancement has also been discussed. Speed breeding is a promising technology that expedites the goals of food and industrial crop improvement by reducing the breeding cycles for establishing nutritional security and sustainable agriculture.

}, keywords = {Genome editing, Genomic selection, Haplotype breeding, Speed breeding, Transgenic breeding}, issn = {0721-7595}, doi = {10.1007/s00344-021-10551-8}, author = {Sharma, Shivani and Kumar, Amit and Dhakte, Priyanka and Raturi, Gaurav and Vishwakarma, Gautam and Barbadikar, Kalyani M. and Das, B. K. and Shivaraj, S. M. and Sonah, Humira and Deshmukh, Rupesh} } @article {48965, title = {Squarate-tethered enantiomeric Imido-Pd(II) cages for recognition and separation of chiral organic molecules}, journal = {Inorganic Chemistry }, volume = {62}, year = {2023}, month = {NOV }, pages = {19375-19381}, type = {Article}, abstract = {

Chiral coordination cages have emerged as an efficient platform for enantioselective processes via host-guest interactions. Here, we report an enantiomeric pair of tetrahedral cages of formula [(Pd-3[PO(N(*CH(CH3)Ph)(3)])(4)(C4O4)(6)] supported by chiral tris(imido)phosphate trianions and squarate (C4O4)(2-) linkers. These cages exhibit unusual coordination isomerism for Pd(II)-linker bonds compared with the other Pd(II) cages of this family. Further, they were employed for the recognition and separation of small chiral molecules containing various functionalities. High enantioselectivities of 67 and 41 were found in the case of R-4-hydroxydihydrofuran-2(3H)-one and S-epichlorohydrin, recognized by the R-isomer of the cage. Chiral separation studies showed remarkable enantiomeric excess values of 93 and 85\% for S-epichlorohydrin and R-4-benzyl-2-oxazolidinone, respectively, from their racemic mixtures. These studies showcase the potential of coordination cages for enantioselective applications.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03105}, author = {Jose, Cavya and Sarkar, Meghamala and Rajasekar, Prabhakaran and Tewari, Tanuja and Boomishankar, Ramamoorthy} } @article {48776, title = {Surface functionalization of inorganic nanoparticles with ligands: a necessary step for their utility}, journal = {Chemical Society Reviews}, volume = {52}, year = {2023}, month = {APR}, pages = {2573-2595}, type = {Review}, abstract = {

The importance of organic ligands in protecting inorganic nanoparticles and thus imparting the needed stabilization as colloidal dispersions was realised many years ago. Currently, the rational preparation of such nanoparticles with designed organic molecules/ligands resulting in the formation of functional nanoparticles (FNPs) that are tuned for a specific application is an area of immense research interest. The preparation of such FNPs for a desired application requires a clear understanding of the interactions at the nanoparticle (NP)-ligand and ligand-solvent interfaces, and demands a deep appreciation of the surface science and coordination chemistry. In this tutorial review, we briefly explore the evolution of surface-ligand chemistry and inform the readers that, apart from protecting the surface, ligands can modulate the physico-chemical properties of the underlying inorganic NPs as well. This review further presents the design principles for the rational preparation of such FNPs, where one or more ligand shells can be added to the nanoparticle surface, thereby improving the adaptability and amenability of the NP exterior towards the environment in which they are present, as required for a specific application.

}, issn = {0306-0012}, doi = {10.1039/d1cs00876e}, author = {Bhattacharjee, Kaustav and Prasad, Bhagavatula L. V.} } @article {48832, title = {Synthesis, characterization, crystal structure, in silico and computational studies on a novel Schiff base derived from α-chlorocinnamaldehyde and 4-aminoantipyrine}, journal = {Journal of Molecular Structure}, volume = {1289}, year = {2023}, month = {OCT}, pages = {135928}, type = {Article}, abstract = {

Schiff base, 4-(((1E,2Z)-2-chloro-3-phenylallylidene)amino)-1,5-dimethyl-2-phenyl-1,2 -dihydro-3H-pyrazol-3-one (1) was synthesized by condensation reaction of 4-aminoantipyrine and \& alpha;-chlorocinnamaldehyde. The compound was characterized using Fourier-transform infrared spectroscopy (FT-IR), ultraviolet (UV)-visible spectroscopy, proton and carbon nuclear magnetic resonance spectroscopy (1H/13C NMR) and single-crystal X-ray diffraction analysis (SC-XRD). Density functional theory (DFT) was used to compute molecular parameters and also compared them with experimental data. The X-ray diffraction data revealed that the compound crys-tallizes as a monoclinic crystal system with a space group of C2/c and Z = 8, and is stabilized by C12-H12MIDLINE HORIZONTAL ELLIPSISO1, and C8-H8AMIDLINE HORIZONTAL ELLIPSISO1 intramolecular hydrogen bonds. The presence of a distinctive azomethine C = N bond length N3-C12 of 1.283(3) \& ANGS;, and 1640 cm-1 stretching vibration in the FT-IR spectrum are evidence of the formation of a Schiff base. The computational result indicates that the ionization energy (IE), and electron affinity (EA) values for the molecule are 4.025 and 2.110 eV, respectively. The positive value of EA suggests that the addition of an electron to the molecule would be an exothermic process. The evaluated energy is relatively low and is an expression of the ease of electron transfer from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). Hirsfeld surface map over dnorm and curvedness surface indicated the presence of 7C-7C stacking while the shape factor index suggests donor and acceptor intermolecular C-H-7C. Analysis of Hirsfeld surfaces concerning the fingerprint indicated a minimal contribution from the de -di pair and reveals H{\textendash}H as a major contribution to the Hirsfeld surface. However, the molecular packing did not confirm H{\textendash}H as a significant contributor the packing. Docking calculations on the compound showed average theoretical binding energies toward aromatase (-5.99 \& PLUSMN; 0.34 kcal/mol) and fibroblast growth factor receptor (FGFR) (-17.57 \& PLUSMN; 6.85 kcal/mol), indicating binding interactions with both protein targets.

}, keywords = {Computational studies, molecular modeling, Schiff base, X-ray crystallography}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.135928}, author = {Adimudo, Hillary Chijioke and Agu, Chidike Justus and Okenyeka, Obinna U. and Eddy, Nnabuk O. and Dim, Ebubechukwu Nnamdi and Dege, Necmi and Bonardd, Sebastian and Vanka, Kumar and Ibezim, Akachukwu and Idika, Digbo Iku and Diaz, David Diaz and Obasi, Nnamdi Lawrence} } @article {48304, title = {Synthesis of 3 alkyl and 1,3-Bis(alkyl)indolizine amides from a-bromohydroxamates}, journal = {Tetrahedron Letters}, volume = {118}, year = {2023}, month = {MAR}, pages = {154386}, type = {Article}, abstract = {

A simple and catalyst-free method has been developed for the synthesis of hindered indolizine amide derivatives from functionalized alkyl bromides. The reaction of a variety of indolizine derivatives with azaoxyallyl cations generated in situ from a-bromoamides afforded a wide range of synthetically important mono- and di-alkylated indolizine amide derivatives in good to excellent yields.@2023 Elsevier Ltd. All rights reserved.

}, keywords = {a -Bromohydroxamates, Amides, HFIP, Indolizine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154386}, author = {Mane, Kishor D. and Bagwe, Sagar S. and More, Satish G. and Suryavanshi, Gurunath} } @article {49138, title = {Synthesis of advanced asbestos-free material using rice husk ash and marble waste for thermal insulation applications}, journal = {Biomass Conversion and Biorefinery}, volume = {13}, year = {2023}, month = {JUL}, pages = {8985-8998}, type = {Article}, abstract = {

The importance and utilization of advanced thermal insulating materials increase due to their broad and irreplaceable energy conservation role. This paper describes the novel way of achieving insulating material. In two waste by-products, namely rice husk ash (RHA), agriculture waste, and marble waste powder (MWP), industrial waste has been utilized to make asbestos-free advanced material for thermal insulation. A novel method for making asbestos-free advanced material for thermal insulation using RHA and marble waste{\textquoteright}s inherent characteristics has developed mechano-chemical for appropriate physico-chemical consolidation, densification, and ceramic processing route. The Si and Ca sources undergo a series of chemical transformations accompanied by mass transfer and thermal reactions during the synthesis process. The formation of this silicate compound occurs due to the presence of higher contents of CaO in marble waste powder (MWP) and silica in rice husk ash (RHA), resulting in thermal insulating characteristics in the advanced thermal insulation material (ATIM). Raman spectra of ATIM after heating at 1100 degrees C were mainly amorphous, which had a broad peak at 1072 cm(-1). This shows thermal transformation occurs after the heating process, the admixture of tailored powder, and fly ash (FA). The density of the ATIM is found to be 1150 kg/m(3). The phase transformation (glass transition temperature) was found in all the samples between 600 and 800 degrees C. The mechanical properties, namely the compressive strength and impact strength evaluation test, showed that the material meets the standard specifications for ceramic tiles. The thermal conductivity (W/mK) was calculated from different temperature 30, 50, 100,150, and 200 degrees C and found to be 0.571, 0.541, 0.516, 0.498, and 0.477, respectively. According to the test results, it is concluded that ATIM from MWP, RHA, and FA were excellent insulating components. The novel feature of the reported process is the development of non-toxic and asbestos-free thermal insulating low-cost material wherein chemically designed and mineralogically formulating desired phases lead to the homogeneous and effective thermal insulating matrix. The process is feasible, simple, cheap, and highly energy-efficient, increases production efficiency, and is environmentally friendly. The widespread use of advanced material for a broad application spectrum ranges from aerospace, automobile, electronics, transportation, construction, to other industries.

}, keywords = {Asbestos, Fly ash, Marble waste, Material, Rice husk ash, Thermal insulation}, issn = {2190-6815}, doi = {10.1007/s13399-021-01950-8}, author = {Verma, Sarika and Bajpai, Harsh and Suresh, S. and Mili, Medha and Gupta, Ritesh Kumar and Shetty, Rohit and Kamble, Sanjay and Khan, Mohd. Akram and Hashmi, S. A. R. and Srivastava, A. K.} } @article {48977, title = {Synthesis of novel rhodamine type anthrone Spiro-lactam (ASL) analogues and evaluation of antiviral activity against dengue and chikungunya viruses}, journal = {European Journal of Medicinal Chemistry }, volume = {261}, year = {2023}, month = {DEC }, type = {Article}, abstract = {

A series of Rhodamine type Anthrone-Spirolactam (ASL) derivatives Benzylimin-Anthrone-Spirolactam (ASL-1 to ASL-10) and Benzamide-Anthrone-Spirolactam (ASL-11 and ASL-12) were synthesized via a simple condensation reaction between Anthrone Spiro-lactamine (2) and various aromatic aldehyde and acyl chlorides respectively. Since rhodamine-based compounds were reported to have antiviral activity, the ASL derivatives were examined for in vitro antiviral activity against dengue and chikungunya viruses. Among all the analogues, ASL-3, ASL-6, ASL-7, ASL-8, ASL-9 and ASL-10 were the most potent against dengue virus (DENV) and exerted around one log reduction in virus titre under post -treatment conditions. At the same time ASL-3 was effective under cotreatment conditions. Two analogues ASL-6 and ASL-12 exerted anti-chikungunya virus (CHIKV) activity under post -treatment conditions. In silico docking studies revealed that the ASL derivatives interacted with the proteins of DENV and CHIKV. Together, the results suggest the anti-DENV and CHIKV activity of ASL derivatives which may be exploited further for therapeutic purposes.

}, keywords = {Anthrone Spiro-lactam, Chikungunya virus, dengue virus, Rhodamine}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115849}, author = {Darole, Ratanamala S. and Bagad, Pooja K. and Gonnade, Rajesh G. and Alagarasu, Kalichamy and Punekar, Madhura and Shukla, Shridhar and Parashar, Deepti and Senthilkumar, Beeran} } @article {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 {48758, title = {Thermally activated delayed fluorescent solvent-free organic liquid hybrids for tunable emission applications}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL }, type = {Article}, abstract = {

The synthetic feasibility and excellent luminescence features of organic molecules attracted much attention and were eventually found useful in lighting applications. In this context, a solvent-free organic liquid having attractive thermally activated delayed fluorescence features in bulk along with high processability has prime importance. Herein, we report a series of naphthalene monoimide-based solvent-free organic liquids exhibiting cyan to red thermally activated delayed fluorescence with luminescence quantum yields up to 80\% and lifetimes between 10 to 45 mu s. An effective approach explored energy transfer between liquid donors with various emitters exhibiting tunable emission colors, including white. The high processability of liquid emitters improved the compatibility with polylactic acid and was used for developing multicolor emissive objects using 3D printing. Our demonstration of the thermally activated delayed fluorescence liquid will be much appreciated as a processable alternate emissive material suitable for large-area lighting, display, and related applications.

}, keywords = {3D printing, Energy Transfer, OLED, Organic Liquids, TADF}, issn = {1861-4728}, doi = {10.1002/asia.202300276}, author = {Nidhankar, Aakash D. D. and Goudappagouda and Kothavade, Premkumar D. and Dongre, Sangram D. and Veer, Sairam Dnyaneshwar and Dash, Soumya Ranjan and Rajeev, Kavya and Unni, K. N. Narayanan and Shanmuganathan, Kadhiravan and Babu, Sukumaran Santhosh} } @article {48262, title = {Ti-iminocarboxylate catalyzed polymerization of ethylene to highly crystalline, disentangled, ultrahigh molecular weight polyethylene}, journal = {European Polymer Journal}, volume = {182}, year = {2023}, month = {JAN }, pages = {111725}, type = {Article}, abstract = {

Disentangled ultrahigh molecular weight polyethylene (d-UHMWPE) is a niche, highly sought-after, and an emerging class of polyethylene. However, the synthesis of d-UHMWPE is uncommon and is equally challenging. Here, we report a Ti-iminocarboxylate complex that produces d-UHMWPE under ambient polymerization conditions. Treatment of tetrakis(dimethylamido-titanium) [Ti(NMe2)4] with 2-((4-methoxybenylidene)amino)benzoic acid produced a novel titanium complex Cat.1 [bis-dimethylamido-Ti-(bis-iminocarboxylate)]. The identity of Cat.1 was unambiguously ascertained using a combination of 1-2D NMR spectroscopy and mass analysis. Cat.1 was activated using various cocatalysts, and MMAO (modified methylaluminoxane) outperformed the others. Screening of polymerization parameters suggested an Al/Ti ratio of 1000, 4 bar ethylene pressure, 35 degrees C temperature, and a polymerization time of 30 min as the optimal condition. Under the optimized polymerization conditions, Cat.1 polymerizes ethylene to ultrahigh molecular weight polyethylene with a weight average molecular weight (Mw) of 2.5 x 106 g/mol. The thermal behavior of the thus prepared material disclosed a highly crystalline [crystallinity chi (DSC) 96 \%], strictly linear polyethylene. Detailed thermal analysis of the nascent polyethylene using a specifically designed DSC method revealed the existence of a high melting peak at 139-140 degrees C, which is a hallmark of disen-tangled UHMWPE. Thus, a homogeneous, single-site ethylene polymerization catalyst has been developed, which upon activation with MMAO produced highly crystalline d-UHMWPE.

}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111725}, author = {Bodkhe, Dnyaneshwar V. and Chikkali, Samir H.} } @article {48773, title = {Topological phases in nanoparticle monolayers: can crystalline, hexatic, and isotropic-fluid phases coexist in the same monolayer?}, journal = {Soft Matter}, volume = {19}, year = {2023}, month = {OCT }, pages = {7271-7280}, type = {Article}, abstract = {

Topological phases are stable configurations of matter in 2-dimensions (2D) formed via spontaneous symmetry breaking. These play a crucial role in determining the system properties. Though a number of fundamental studies on topological phase transitions and topological defect dynamics have been conducted with model colloidal systems (typically microns in size), the same is lacking on nanoparticle monolayers (NPMLs, typically made of ligand-coated sub-ten nanometer particles). Here, we show that in an evaporation-driven self-assembly process, the three topological phases, namely crystalline, hexatic, and isotropic-fluid phases, can coexist within the same NPML. We associate this coexistence with the local variation in particle size, which can be described by a unique frequency parameter (p(25)), quantifying the fraction of NPs that has size deviation greater than or equal to 25\% of the mean size (where the deviation,f is defined as f = ((|Size-mean|)/mean)). The p(25)-values for the three phases are distinctly different: crystalline arrangement occurs when p(25) \< similar to 0.02, while a hexatic phase exists for 0.02 \<= p(25) \<= 0.1. For p(25) Z 0.1, the isotropic-fluid phase occurs. Following KTHNY-theory, we further numerically extrapolate the occurrence of each phase to the accumulated excess planar strain in the NPML due to the presence of various topological defects in the structures.

}, issn = {1744-683X}, doi = {10.1039/d3sm00290j}, author = {Bhattacharjee, Kaustav and Vaidya, Salil S. and Pathak, Tushar and Shimpi, Jayesh R. and Prasad, Bhagavatula L. V.} } @article {48806, title = {Transient response to perturbations in flow synthesis of citrate capped gold nanoparticles}, journal = {Biochemical Engineering Journal}, volume = {470}, year = {2023}, month = {AUG}, pages = {143890}, type = {Article}, abstract = {

This work reports the transient behavior of continuous flow synthesis of gold nanoparticles (Au NPs) when subjected to perturbations in operating conditions using controlled experiments. The intricacies are captured through a detailed mathematical model. Reversed Turkevich protocol was used for synthesis of Au NPs. The synthesis was first studied in batch mode to investigate the reaction kinetics and reproducibility of the process. The optimal set of operating conditions viz., residence time, flow rate, temperature was then used for flow synthesis in a 2 m, 1/16 \& DPRIME;Polytetrafluoroethylene (PTFE) reactor with micromixer. Reactor clogging was avoided by using segmented flow. Inline UV measurement was used for real time monitoring of the process. Transient experiments were performed by abruptly changing the operating conditions. A mathematical model was found to be accurate in predicting the transient behavior of the exit precursor concentration and the particle size for unsteady state synthesis. Even a small change in process variables for short duration was found to disturb the quality of Au NPs for a significantly longer duration. Of the three operating parameters, the effect of temperature variation was seen to have a prolonged effect where the system remained in unsteady state for long time.

}, keywords = {continuous flow synthesis, gold nanoparticles, Particle size, segmented flow, Unsteady behavior}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.143890}, author = {Bari, Atul H. and Shukla, Neerja and Gavriilidis, Asterios and Kulkarni, Amol A.} } @article {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 {48467, title = {Ultrasound assisted green protocol for the synthesis of quinoxaline based bisspirooxindoles: crystal structure analysis, enone umpolung, DFT calculations, anti-cancer activity, and molecular docking studies}, journal = {Synthetic Communications}, volume = {53}, year = {2023}, month = {JUN}, pages = {835-854}, type = {Article}, abstract = {

A series of novel quinoxaline based bisspirooxindolo-pyrrolizidines were synthesized through 1,3-dipolar cycloaddition under ultrasonication with shorter reaction time and good yields. The compounds were well characterized by various spectroscopic methods and finally single crystal X-ray diffraction method (4c, 4d). DFT energy calculations confirm the regioselectivity due to enone umpolung effect. The in vitro anti-cancer activity of the synthesized compounds (4a-s) shows that the compounds 4g and 4q exhibited good anti-cancer activity with IC50 values14.51 +/- 1.1 and 11.36 +/- 0.23 mu M against DU-145 prostate cancer cell line; and 16.78 +/- 0.95 and 14.28 +/- 0.64 mu M against Hela cervical cancer cell lines when compared to the standard anti-cancer drug doxorubicin (1.75 +/- 0.06 and 1.35 +/- 0.09 mu M). In silico molecular docking studies indicated that the synthesized compounds may serve as a potential lead for the further development of novel anti-cancer agents.

}, keywords = {Anti-cancer activity, bisspirooxindoles, DFT calculations, Hirshfeld surface, ultrasonication}, issn = {0039-7911}, doi = {10.1080/00397911.2023.2199360}, author = {Baddepuri, Sravanthi and Allaka, Bhargava Sai and Gamidi, Rama Krishna and Faizan, Mohmmad and Pawar, Ravinder and Basavoju, Srinivas} } @article {48296, title = {Ultrasound assisted synthesis of spirooxindolo-1,2,4-oxadiazoles via [3+2] cycloaddition reaction and their anti-cancer activity}, journal = {ARKIVOC}, year = {2023}, month = {MAY}, pages = {S1-S46}, type = {Article}, issn = {1551-7004}, author = {Kanchrana, Madhu and Allaka, Bhargava Sai and Krishna, Gamidi Rama and Basavoju, Srinivas} } @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} } @article {48714, title = {"Weak" C-H{\textbullet}{\textbullet}{\textbullet}S interaction drives enantioselectivity in cinchona alkaloid complex catalyzed thiocyanation}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL}, pages = {e202300321}, type = {Article}, abstract = {

The great success of asymmetric organocatalysis has made it one of the most important advancements made in chemistry in the past two decades. A significant achievement in this context is the asymmetric organocatalysis of the thiocyanation reaction. In the current study, computational studies with density functional theory have been done in order to understand an interesting experimental finding: the reversal of enantioselectivity from R to S when the electrophile is changed from beta-keto ester to oxindole for the thiocyanation reaction with the cinchona alkaloid complex catalyst. The calculations reveal an unusual fact - the principal reason for the reversal is the presence of the C-H center dot center dot center dot S noncovalent interaction, which is present only in the major transition states in each of the two nucleophile cases. Only recently has it been realized that the supposedly weak C-H center dot center dot center dot S noncovalent interaction has the properties of a hydrogen bond, and the fact that this interaction is the cause of enantioselectivity has relevance, because of the large number of asymmetric transformations involving the sulphur heteroatom.

}, keywords = {Density functional calculations, Enantioselectivity, noncovalent interactions, organocatalysis, reaction mechanisms}, issn = {1861-4728}, doi = {10.1002/asia.202300321}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {48331, title = {Whole genome sequencing and comparative genomics of Indian isolates of wheat spot blotch pathogen bipolaris sorokiniana reveals expansion of pathogenicity gene clusters}, journal = {Pathogens}, volume = {12}, year = {2023}, month = {JAN}, pages = {1}, type = {Article}, abstract = {

Spot blotch is a highly destructive disease in wheat caused by the fungal pathogen Bipolaris sorokiniana (teleomorph, Cochliobolus sativus). It is prevalent in warm and humid areas, including Africa, Asia, Latin America, and the USA. In the present study, twelve isolates of B. sorokiniana were collected from wheat fields in three different geographical locations in India. The pathogenicity of seven sporulating isolates was assessed on {\textquoteleft}DDK 1025{\textquoteright}, a spot blotch-susceptible wheat variety under greenhouse conditions. The isolate {\textquoteleft}D2{\textquoteright} illustrated the highest virulence, followed by {\textquoteleft}SI{\textquoteright} and {\textquoteleft}BS52{\textquoteright}. These three isolates were sequenced using the Illumina HiSeq1000 platform. The estimated genome sizes of the isolates BS52, D2, and SI were 35.19 MB, 39.32 MB, and 32.76 MB, with GC contents of 48.48\%, 50.43\%, and 49.42\%, respectively. The numbers of pathogenicity genes identified in BS52, D2, and SI isolates were 2015, 2476, and 2018, respectively. Notably, the isolate D2 exhibited a relatively larger genome with expanded arsenals of Biosynthetic Gene Clusters (BGCs), CAZymes, secretome, and pathogenicity genes, which could have contributed to its higher virulence among the tested isolates. This study provides the first comparative genome analysis of the Indian isolates of B. sorokiniana using whole genome sequencing.

}, keywords = {Bipolaris sorokiniana, CAZyme, comparative genomics, spot blotch, whole genome sequencing}, doi = {10.3390/pathogens12010001}, author = {Yadav, Sagar and Raazi, Zarrine and Shivaraj, Sheelavanta Matha and Somani, Deepika and Prashant, Ramya and Kulkarni, Abhijeet and Kumar, Rajeev and Biradar, Suma and Desai, Shreenivas and Kadoo, Narendra} } @article {48962, title = {Wurtzite CuGaS2 with an in-situ-formed CuO layer photocatalyzes CO2 conversion to ethylene with high selectivity}, journal = {Angewandte chemie-international edition}, volume = {62}, year = {2023}, month = {FEB 20}, type = {Article}, abstract = {

We present surface reconstruction-induced C-C coupling whereby CO2 is converted into ethylene. The wurtzite phase of CuGaS2. undergoes in situ surface reconstruction, leading to the formation of a thin CuO layer over the pristine catalyst, which facilitates selective conversion of CO2 to ethylene (C2H4). Upon illumination, the catalyst efficiently converts CO2 to C2H4 with 75.1 \% selectivity (92.7 \% selectivity in terms of R-electron) and a 20.6 mu mol g(-1) h(-1) evolution rate. Subsequent spectroscopic and microscopic studies supported by theoretical analysis revealed operando-generated Cu2+, with the assistance of existing Cu+, functioning as an anchor for the generated *CO and thereby facilitating C-C coupling. This study demonstrates strain-induced in situ surface reconstruction leading to heterojunction formation, which finetunes the oxidation state of Cu and modulates the CO2 reduction reaction pathway to selective formation of ethylene.

}, keywords = {C-C coupling, charge polarization, CO2 reduction, Photocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202216613}, author = {Chakraborty, Subhajit and Das, Risov and Riyaz, Mohd and Das, Kousik and Singh, Ashutosh Kumar and Bagchi, Debabrata and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48690, title = {Zwitterionic disilanylium from an unsymmetrical disilene}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB }, pages = {1669-1672}, type = {Article}, abstract = {

The reaction of PhC(NtBu)2SiSi(SiMe3)(3) (1) with Me3SiCH(2)Cl afforded an unsymmetrical sp(2)-sp(3) disilene, 2, with concomitant elimination of Me3SiCl. The analogous reaction with PhC(NtBu)2SiCl resulted in the oxidative addition of the C-Cl bond at the Si(II) atom (3). The reactions of 2 with sulfur and selenium led to compounds with Si=E (E=S (4) and Se (5)) double bonds. Tellurium reacted differently with 2 and furnished a zwitterionic compound, 6.

}, issn = {1359-7345}, doi = {10.1039/d2cc06954g}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49139, title = {Zwitterionic tetrastanna(II) cyclic crown}, journal = {European Journal of Inorganic Chemistry}, volume = {26}, year = {2023}, month = {OCT }, type = {Article}, abstract = {

A 12-membered zwitterionic tetrastanna(II) cycle 1 having a crown ether-like topology has been isolated from the deprotonation of 1,1 \& PRIME;-methylenediimidazole (B) with two equivalents of Sn[N(SiMe3)(2)](2) (A). The solid-state structure and NMR analysis confirms the tetrastanna(II) cycle 1 to be comprised of two stannate(II) and two stannyliumylidene ion pairs in alternating positions of the heterocycle. Computational analysis shows greater nucleophilicity at the proximally located stannate(II) centers. Nonetheless, the tetrastanna(II) cycle 1 remains poorly reactive due to engagement of Sn-II lone pair electrons in intramolecular donor-acceptor interactions. Simple deprotonation reaction between Sn[N(SiMe3)(2)](2) (A) and N-(diisopropylphenyl)imidazole (C) in equimolar ratio has led to a stannylene 2, involving the formation of a Sn-C covalent bond with the anionic imidazol-2-yl carbon center along with the release of NH(SiMe3)(2). Compound 2 exists as a dimer, where the unsubstituted ring nitrogen atom coordinated intermolecularly to the other stannylene center.

}, keywords = {Deprotonation, Imidazole, Macrocycle, Sn-II cation, stannylene}, issn = {1434-1948}, doi = {10.1002/ejic.202300249}, author = {Sahoo, Padmini and Chibde, Purva and Das, Satyabrata and Banerjee, Subhrashis and Mali, Bhupendra P. and Vanka, Kumar and Gonnade, Rajesh G. and Yildiz, Cem. B. and Majumdar, Moumita} } @article {49320, title = {1,6-Conjugate addition of in situ generated aryldiazenes to p-quinone methides}, journal = {Organic \& Biomolecular Chemistry}, volume = {22}, year = {2024}, month = {JUL}, pages = {5636-5645}, type = {Article}, abstract = {

Herein we report a transition-metal free, base-mediated 1,6-conjugate addition of aryldiazenes to para-quinone methides (p-QMs). Arylhydrazines were used for the in situ generation of aryldiazenes using a base-mediated protocol in the presence of air as the oxidant. The 1,6-conjugate addition of aryldiazenes to para-quinone methides via a radical mechanism is followed by an oxidative rearrangement to furnish the desired product, arylhydrazones. Interestingly, our synthetic protocol results in the formation of an aryldiazene radical, which undergoes 1,6-conjugate addition with p-QMs to furnish the arylhydrazones.

}, issn = {1477-0520}, doi = {10.1039/d4ob00618f}, author = {Mamale, Ajay G. and Paul, Sayantan and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {49276, title = {Alternative synthetic route for the pharmacophore of anticancer agent: triazolopyridazine derivative}, journal = {Tetrahedron Letters}, volume = {146}, year = {2024}, month = {AUG}, pages = {155193}, type = {Article}, abstract = {

ATAD2 has received attention as one of the potential oncogene with tumor-promoting aspects in many malignancies. ATAD2 is a highly conserved bromodomain family protein that exerts its biological functions by mainly AAA ATPase and bromodomain. Several small molecule inhibitors have been described in the literature. AZ13824374 (1) recently reported by Holt and co-workers showed promising in vitro (bio-chemical, cellular) and antiproliferative activity in range of breast cancer models. In this work, we described scalable synthetic route for triazolopyridazine derivative (2), a key intermediate of AZ13824374 (1) without using CO in the process. Triazolopyridazine helps to attain the bioactive conformation for AZ13824374 (1) through its crucial interaction with Tyr 1021 of ATAD2. Additionally, triazolopyridazine is extensively used as an intermediate for anticancer agents. This encouraged us to develop cost-effective and scalable process for it.

}, keywords = {Alternative process, Anticancer, Triazolopyridazine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2024.155193}, author = {Karche, Ranjit S. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49367, title = {Aluminium, nitrogen-dual-doped reduced graphene oxide Co-existing with cobalt-encapsulated graphitic carbon nanotube as an activity modulated electrocatalyst for oxygen electrocatalyst for oxygen electrochemistry applications}, journal = {Small}, volume = {20}, year = {2024}, month = {AUG}, type = {Article}, abstract = {

There is a rising need to create high-performing, affordable electrocatalysts in the new field of oxygen electrochemistry. Here, a cost-effective, activity-modulated electrocatalyst with the capacity to trigger both the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) in an alkaline environment is presented. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with cobalt-encapsulated carbon nanotube units. Based on X-ray Absorption Spectroscopy (XAS) studies, it is established that the superior reaction kinetics in Al, Co/N-rGCNT over their bulk counterparts can be attributed to their electronic regulation. The Al, Co/N-rGCNT performs as a versatile bifunctional electrocatalyst for zinc-air battery (ZAB), delivering an open circuit potential approximate to 1.35 V and peak power density of 106.3 mW cm-2, which are comparable to the system based on Pt/C. The Al, Co/N-rGCNT-based system showed a specific capacity of 737 mAh gZn-1 compared to 696 mAh gZn-1 delivered by the system based on Pt/C. The DFT calculations indicate that the adsorption of Co in the presence of Al doping in NGr improves the electronic properties favoring ORR. Thus, the Al, Co/N-rGCNT-based rechargeable ZAB (RZAB) emerges as a highly viable and affordable option for the development of RZAB for practical applications. This manuscript reports the development of a new bifunctional catalyst that exhibits high activity and stability under practical operating conditions. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with the in situ formed cobalt-encapsulated CNT units is synthesized by a scalable pyrolysis method in an inert Ar atmosphere. The developed electrocatalyst achieved enhanced the oxygen reduction reaction (ORR) and the oxygen evolution reaction OER activity as a result of the favorable synergistic modulations and the system can serve as a process-friendly air-electrode for rechargeable zinc-air battery (RZAB). image

}, keywords = {Al, Bifunctional catalyst, DFT study, encapsulated structure, N-dual doping, Oxygen Evolution Reaction, oxygen reduction reaction, rechargeable zinc-air battery, X-ray absorption spectroscopy}, issn = {1613-6810}, doi = {10.1002/smll.202400012}, author = {Kharabe, Geeta Pandurang and Barik, Sidharth and Veeranmaril, Sudheesh Kumar and Nair, Aathira and Illathvalappil, Rajith and Yoyakki, Athira and Joshi, Kavita and Vinod, Chathakudath Prabhakaran and Kurungot, Sreekumar} } @article {49076, title = {Aminoacylase efficiently hydrolyses fatty acid amino acid conjugates of Helicoverpa armigera potentially to increase the pool of glutamine}, journal = {Insect Biochemistry and Molecular Biology }, volume = {165}, year = {2024}, month = {FEB}, type = {Article}, abstract = {

One of the most prevalent bioactive molecules present in the oral secretion (OS) of lepidopteran insects is fatty acid amino acid conjugates (FACs). Insect dietary components have influence on the synthesis and retaining the pool of FACs in the OS. We noted differential and diet-specific accumulation of FACs in the OS of Helicoverpa armigera by using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Interestingly, we identified FACs hydrolyzing enzyme aminoacylase (HaACY) in the OS of H. armigera through proteomic analysis. Next, we have cloned, expressed, and purified active recombinant HaACY in the bacterial system. Recombinant HaACY hydrolyzes all the six identified FACs in the OS of H. armigera larvae fed on host and non-host plants and releases respective fatty acid and glutamine. In these six FACs, fatty acid moieties vary while amino acid glutamine was common. Glutamine obtained upon hydrolysis of FACs by HaACY might serve as an amino acid pool for insect growth and development. To understand the substrate choices of HaACY, we chemically synthesized, purified, and characterized all the six FACs. Interestingly, rHaACY also shows hydrolysis of synthetic FACs into respective fatty acid and glutamine. Our results underline the importance of diet on accumulation of FACs and role of aminoacylase(s) in regulating the level of FACs and glutamine.

}, keywords = {Aminoacylase, Fatty acid amino acid conjugates, Glutamine, Helicoverpa armigera, Oral secretion}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2024.104070}, author = {Kallure, Gopal S. and Sahoo, Shubhranshu Shekhar and Kale, Rutuja S. and Barvkar, Vitthal T. and Kontham, Ravindar and Giri, Ashok P.} } @article {49185, title = {Aqueous glycerol to glyceric acid and green hydrogen by visible-light-driven photocatalysis with Ni/Co(PO4)2-TiO2: parallel utilization of holes and electrons}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {12}, year = {2024}, month = {SEP}, pages = {14841-14853}, type = {Article}, abstract = {

Replacing the kinetically sluggish oxygen evolution reaction (OER) with the oxidation of an abundantly available organic molecule to value-added product(s) (VAPs) at low voltage along with the hydrogen evolution reaction (HER) is a big challenge in water splitting, either by electrolysis or sunlight-driven photocatalysis. Glycerol oxidation to a VAP is kinetically fast, compared to an OER, and offers hope to enhance sunlight-driven water splitting to hydrogen by the concurrent utilization of holes and electrons. Mixed bimetal phosphates of Co and Ni (CoxNiy(PO4)(2) (CoNiP)) with different Co:Ni ratios (10:0, 7:3, 5:5, 3:7, and 0:10) were integrated with TiO2 to generate final photocatalyst composites (x wt \% CoNiP with TiO2) and employed for concurrent photocatalytic HER and glycerol oxidation. Irrespective of the weight ratios of CoNiP and TiO2, any TiO2-CoNiP composite showed better photocatalytic activity for the HER and glycerol oxidation compared to virgin TiO2. The highest HER as well as selectively generated glyceric acid yield was observed to be 54 and 67 mmol/g, respectively, after 25 h of reaction under 1 sun conditions with TiO2-CoNiP-5:5. An increase in catalytic activity can be attributed to the formation of p-n heterojunctions of the constituent component along with uniform distribution of CoNiP to effectively utilize the charge carriers for redox reactions. Highly selective oxidation of glycerol to glyceric acid (85\%), along with other minor products, is also demonstrated, which offers further scope to use solar light to generate VAPs in a sustainable manner. A simple comparison of H-2 yield and all oxidized products together indicates the better utilization of holes for the latter, and hence, there is scope to increase HER and possibly the whole photocatalytic activity.

}, keywords = {biomass component, earth-abundantmaterial, energy conversion, organicvalorisation, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c05853}, author = {Nivedhitha, Thazhath R. and Bajpai, Himanshu and Oommen, Jiffin Varghese and Abraham, Athira and Chauhan, Inderjeet and Gopinath, Chinnakonda S.} } @article {49062, title = {architecturally rational hemostat for rapid stopping of massive bleeding on anticoagulation therapy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {121}, year = {2024}, month = {JAN}, pages = {e2316170121}, type = {Article}, abstract = {

Hemostatic devices are critical for managing emergent severe bleeding. With the increased use of anticoagulant therapy, there is a need for next- generation hemostats. We rationalized that a hemostat with an architecture designed to increase contact with blood, and engineered from a material that activates a distinct and undrugged coagulation pathway can address the emerging need. Inspired by lung alveolar architecture, here, we describe the engineering of a next- generation single - phase chitosan hemostat with a tortuous spherical microporous design that enables rapid blood absorption and concentrated platelets and fibrin microthrombi in localized regions, a phenomenon less observed with other classical hemostats without structural optimization. The interaction between blood components and the porous hemostat was further amplified based on the charged surface of chitosan. Contrary to the dogma that chitosan does not directly affect physiological clotting mechanism, the hemostat induced coagulation via a direct activation of platelet Toll - like receptor 2. Our engineered porous hemostat effectively stopped the bleeding from murine liver wounds, swine liver and carotid artery injuries, and the human radial artery puncture site within a few minutes with significantly reduced blood loss, even under the anticoagulant treatment. The integration of engineering design principles with an understanding of the molecular mechanisms can lead to hemostats with improved functions to address emerging medical needs.

}, keywords = {biomaterial, clotting, hemostasis, hemostat, trauma}, issn = {0027-8424}, doi = {10.1073/pnas.2316170121}, author = {Lee, Vivian K. and Lee, Taewoo and Ghosh, Amrit and Saha, Tanmoy and Bais, V. Manish and Bharani, Kala Kumar and Chag, Milan and Parikh, Keyur and Bhatt, Parloop and Namgung, Bumseok and Venkataramanan, Geethapriya and Agrawal, Animesh and Sonaje, Kiran and Mavely, Leo and Sengupta, Shiladitya and Mashelkar, Raghunath Anant and Jang, Hae Lin} } @article {49104, title = {Article chitinase inhibition induces transcriptional dysregulation altering ecdysteroid-mediated control of spodoptera frugiperda development}, journal = {Iscience}, volume = {27}, year = {2024}, month = {MAR }, type = {Article}, abstract = {

Chitinases and ecdysteroid hormones are vital for insect development. Crosstalk between chitin and ecdysteroid metabolism regulation is enigmatic. Here, we examined chitinase inhibition effect on Spodopsilencing and overexpression resulted in ecdysone receptor deregulation. Transcription factors, like Neverland, and other ecdysteroid biosynthesis genes might lead to their upregulation in berberine-fed chitinase activity{\textquoteright}s impact on ecdysone biosynthesis and its transcriptional crosstalk.

}, doi = {10.1016/j.isci.2024.109280}, author = {Barbole, Ranjit S. and Sharma, Shivani and Patil, Yogita and Giri, Ashok P. and Joshi, Rakesh S.} } @article {49391, title = {Atmospheric-pressure continuous-flow methane oxidation to methanol and acetic acid using H2O2 over the Au-Fe catalyst}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {MAY }, pages = {8958-8967}, type = {Journal Article}, keywords = {CO oxidation, HIGHLY SELECTIVE OXIDATION, metal-organic frameworks}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c02993}, author = {Jagtap, Anuradha V. and Kumar, Pawan and Gupta, Sharad and Nagendra, Abharana and Jha, Shambhu Nath and Bhattacharyya, D. and Ajithkumar, Thalasseril G. and Vinod, C. P.} } @article {48937, title = {Bi(OTf)3-promoted cascade annulation of hydroxy-pyranones and unsaturated γ-ketoesters for the construction of polycyclic bridged pyrano-furopyranones}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {JAN }, pages = {496-500}, type = {Article}, abstract = {

An efficient protocol for constructing complex three dimensional polycyclic bridged chromano-furopyranones and pyrano-furopyranones (closely related to bioactive natural products) via bismuth(III)-catalyzed cascade annulation of hydroxy-pyranones and unsaturated gamma-ketoesters is presented. This process involves intermolecular Michael addition, intramolecular hemiketalization, lactonization, formation of one C-C bond and two C-O bonds, rings, and contiguous stereocenters.

}, keywords = {1 3-Dicarbonyl Compounds, alkynols, Coumarins, Fungus}, issn = {1477-0520}, doi = {10.1039/d3ob01862h}, author = {Rathod, Akshay B. and Borade, Balasaheb R. and Sambherao, Pooja I. and Kontham, Ravindar} } @article {49100, title = {Boron- and oxygen-doped π-extended helical nanographene with circularly polarised thermally activated delayed fluorescence}, journal = {Chemistry-A European Journal}, volume = {30}, year = {2024}, month = {APR }, type = {Article}, abstract = {

Helical nanographenes have garnered substantial attention owing to their finely adjustable optical and semiconducting properties. The strategic integration of both helicity and heteroatoms into the nanographene structure, facilitated by a boron-oxygen-based multiple resonance (MR) thermally activated delayed fluorescence (TADF), elevates its photophysical and chiroptical features. This signifies the introduction of an elegant category of helical nanographene that combines optical (TADF) and chiroptical (CPL) features. In this direction, we report the synthesis, optical, and chiroptical properties of boron, oxygen-doped pi-extended helical nanographene. The pi-extension induces distortion in the DOBNA-incorporated nanographene, endowing a pair of helicenes, (P)-B2NG, and (M)-B2NG exhibiting circularly polarized luminescence with glum of -2.3x10-3 and +2.5x10-3, respectively. B2NG exhibited MR-TADF with a lifetime below 5 mu s, and a reasonably high fluorescence quantum yield (50 \%). Our molecular design enriches the optical and chiroptical properties of nanographenes and opens up new opportunities in multidisciplinary fields. B, O-doped pi-extended helical nanographene has been explored for its optical and chiroptical properties. The presence of helical and nanographene segments stabilize the helicity and imparts tunable optical properties. Helical nanographene display circularly polarized thermally activated delayed fluorescence. image

}, keywords = {circularly polarized luminescence, DOBNA, dual emission, nanographene, TADF}, issn = {0947-6539}, doi = {10.1002/chem.202304169}, author = {Venugopal, Geethu and Kumar, Viksit and Jadhav, Ashok Badrinarayan and Dongre, Sangram D. and Khan, Abujunaid and Gonnade, Rajesh and Kumar, Jatish and Santhosh Babu, Sukumaran} } @article {49203, title = {Breaking the inactivity of MXenes to drive Ampere-level selective oxygen evolution reaction in seawater}, journal = {MATERIALS SCIENCE \& ENGINEERING R-REPORTS}, volume = {160}, year = {2024}, month = {SEP}, pages = {100835}, type = {Review}, keywords = {2D heterostructures, Metal-organic framework, Oxygen Evolution Reaction}, issn = {0927-796X}, doi = {10.1016/j.mser.2024.100835}, author = {Gbadamasi, Sharafadeen and Loomba, Suraj and Haris, Muhammad and Khan, Muhammad Waqas and Maibam, Ashakiran and Mousavi, Seyed Mahdi and Mahmud, Sofiu and Thomsen, Lars and Tadich, Anton and BabaRao, Ravichandar and Xian, Jian and Mahmood, Nasir} } @article {49360, title = {Breaking the Pt electron symmetry and OH spillover towards ptir active center for performance modulation in direct ammonia fuel cell}, journal = {Small}, volume = {20}, year = {2024}, month = {DEC}, type = {Article}, abstract = {

The growing interest in low-temperature direct ammonia fuel cells (DAFCs) arises from the utilization of a carbon-neutral ammonia source; however, DAFCs encounter significant electrode overpotentials due to the substantial energy barrier of the *NH2 to *NH dehydrogenation, compounded by the facile deactivation by *N on the Pt surface. In this work, a unique catalyst, Pt4Ir@AlOOH/NGr i.e., Pt4Ir/ANGr, is introduced composed of PtIr alloy nanoparticles controllably decorated on the pseudo-boehmite phase of AlOOH-supported nitrogen-doped reduced graphene (AlOOH/NGr) composite, synthesized via the polyol reduction method. The detailed studies on the structural and electronic properties of the catalyst by XAS and VB-XPS reveal the possible electronic modulations. The optimized Pt4Ir/ANGr composition exhibits a significantly improved onset potential and mass activity for AOR. The DFT study confirms the OHad species spillover by AlOOH and Pt4Ir (100) facilitates the conversion of the *NH2 to *NH with minimal energy barriers. Finally, testing of DAFC at the system level using a membrane electrode assembly (MEA) with Pt4Ir/ANGr as the anode catalyst, demonstrating the suitability of the catalyst for its practical applications. This study thus uncovers the potential of the Pt4Ir catalyst in synergy with ANGr, largely addressing the challenges in hydrogen transportation, storage, and safety within DAFCs. In this article, a versatile catalyst, Pt4Ir/ANGr, is introduced composed of PtIr alloy nanoparticles decorated on AlOOH/NGr composite. The AlOOH provides an -OH-rich surface conducive to the facile adsorption and decoration of the PtIr alloy nanoparticles and OHad species spillover from AlOOH to the Pt4Ir active center during AOR, further validating the higher experimental activity obtained in Pt4Ir/ANGr. image

}, keywords = {ammonia oxidation reaction (AOR), d-band center, density functional theory (DFT) study, direct ammonia fuel cells, hydroxyl spillover effect, XAS analysis}, issn = {1613-6810}, doi = {10.1002/smll.202406589}, author = {Barik, Sidharth and Kharabe, Geeta Pandurang and Samal, Pragnya Paramita and Urkude, Rajashri R. and Kumar, Sachin and Yoyakki, Athira and Vinod, C. P. and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {49205, title = {Catalytic cycloisomerization-oxidative cyclization reaction sequence of enyne diesters derived from 2-propargyloxyarylaldehydes}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {NOV }, pages = {9793-9798}, type = {Article}, abstract = {

Enyne diesters derived from 2-propargyloxyarylaldehydes are converted into 2-oxopyranochromenes via In(OTf)3-catalyzed cycloisomerization and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ)-mediated oxidative cyclization reaction sequence in one pot. The process possesses broad substrate scope and good functional group compatibility and generates various 4-(hetero)aryl-substituted 2-oxopyranochromenes in 32-79\% yields (over two steps). 2-Oxopyranochromenes undergo selective decarboxylation under Krapcho conditions. When treated with aliphatic secondary amines in DMF, 2-oxopyranochromenes undergo decarboxylative amination at ambient temperature to generate 2-amino-substituted functionalized chromenes in good yields.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c03856}, author = {Prajapati, Karmdeo and Saini, Manoj Kumar and Gonnade, Rajesh G. and Basak, Ashok K.} } @article {49190, title = {Chemodivergent dehydrogenative coupling of alcohols by 3d metal catalysts}, journal = {ChemCatChem}, volume = {16}, year = {2024}, month = {JUN }, type = {Article}, abstract = {

Chemodivergent synthesis by transition metal catalysts is a straightforward and sustainable approach to achieving valuable organic compounds. Especially, the chemodivergent dehydrogenative couplings of alcohols with organic motifs to develop various saturated and unsaturated compounds are highly environmentally benign due to the reduced waste generation. In this concept review, we presented the 3d transition metal (Mn, Fe, Co, and Ni)-catalyzed chemodivergent synthesis of imines and amines, saturated and unsaturated carbonyl/alcohol compounds, saturated and unsaturated nitriles, N-heterocycles, and N-/C-alkylated indoles. The discussed reaction commanded two or three different products with high chemoselectivity by changing specific reaction parameters, but keeping the catalyst unchanged. Generally, the acceptorless dehydrogenative coupling (ADC) provides unsaturated moieties, whereas the borrowing-hydrogen (BH) process results in saturated compounds. Text for Table of Contents: An overview of the chemodivergent dehydrogenative coupling of alcohols by the Earth-abundant transition metal catalysts is discussed. image

}, keywords = {3d metals, Alcohols, chemodivergent, dehydrogenative coupling, heterocycles}, issn = {1867-3880}, doi = {10.1002/cctc.202301558}, author = {Bansal, Sadhna and Punji, Benudhar} } @article {49215, title = {Circulatory levels of lysophosphatidylcholine species in obese adolescents: Findings from cross-sectional and prospective lipidomics analyses}, journal = {NUTRITION METABOLISM AND CARDIOVASCULAR DISEASES}, volume = {34}, year = {2024}, month = {JUL}, pages = {1807-1816}, type = {Journal Article}, keywords = {Adolescent obesity, Asian Indians, biomarker, Lipidomics, Lysophosphatidyl- choline}, issn = {0939-4753}, doi = {10.1016/j.numecd.2024.02.009}, author = {Sharma, Sapna and Subrahmanyam, Yalamanchili Venkata and Ranjani, Harish and Sidra, Sidra and Parmar, Dharmeshkumar and Vadivel, Sangeetha and Kannan, Shanthini and Grallert, Harald and Usharani, Dandamudi and Anjana, Ranjit Mohan and Balasubramanyam, Muthuswamy and Mohan, Viswanathan and Jerzy, Adamski and Panchagnula, Venkateswarlu and Gokulakrishnan, Kuppan} } @article {49067, title = {Co-incorporated N-doped micro-meso porous carbon as an electrocatalyst for oxygen reduction reaction and Zn-air battery}, journal = {Energy and Fuels}, volume = {38}, year = {2024}, month = {APR }, pages = {7196-7207}, type = {Article}, abstract = {

Metal-organic frameworks are considered ideal precursors for the preparation of transition-metal, heteroatom-doped carbon catalysts that are perceived to be efficient electrocatalysts for energy storage devices. Herein, we demonstrate the synthesis of ZIF-67-derived Co-incorporated N-doped porous carbon catalysts supported on high surface area microporous carbon prepared from a lotus seed shell. The combination of the two carbon catalysts in different weight ratios resulted in Co-incorporated N-doped carbon sheets with tuned surface area and porosity, enabling enhanced oxygen reduction reaction (ORR) activity in an alkaline medium. The optimized carbon catalyst ZL 600 (3:1) exhibited a half-wave potential of 0.79 V vs RHE and a limiting current density of -4.38 mA cm(-2) in 0.1 M KOH solution with higher stability and methanol tolerance. The optimized sample ZL 600 (3:1) demonstrated as a cathode in a zinc-air battery exhibited an open circuit voltage of 1.29 V with a flat discharge profile at a current rate of 10 mA cm(-2). The homemade system produced a specific capacity of 610 mAh g(-1) and a peak power density of 111 mW cm(-2), comparable to the cathode made with Pt/C. The high micro-mesoporosity, pyridinic and pyrrolic nitrogen contents, as well as enriched Co-active centers protected by carbon sheets favorably contributed to the efficient ORR mechanism.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c00059}, author = {Priya, Vaishna K. and Kharabe, Geeta Pandurang and Barik, Sidharth and Mohamed, A. Peer and Kurungot, Sreekumar and Hareesh, Unnikrishnan Nair Saraswathy} } @article {49633, title = {Colocasia esculenta stems for the isolation of cellulose nanofibers: a chlorine-free method for the biomass conversion}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {MAY}, pages = {10305-10318}, type = {Article}, abstract = {

The reuse of waste products is the green key to sustainability. The extraction of cellulose nanofibers from Colocasia esculenta stems is presented in the paper. The study proved that the waste biomass could be effectively re-engineered into highly valued cellulose nanofibers (CNFs). Cellulose nanofibers were extracted via a chemo-mechanical route. The pre-treatments included mild alkali hydrolysis (2\% NaOH) and chlorine-free bleaching (peroxide bleaching in an alkaline medium). Cellulose I-beta structure was confirmed using C-13 solid-state nuclear magnetic resonance spectroscopy and X-ray diffraction analysis. The elemental analysis of CNFs detected the elements, carbon and oxygen. The CNFs had a crystallinity and transmittance of 71.72\% and 60\%, respectively. Microscopic studies verified the elimination of non-cellulosic components and the fibrous nature of CNFs. Moreover, the fiber diameter of CNFs was 20-40 nm. Thermal analysis revealed good thermal stability of 335.8 degrees C (T-50) for nanofibers. Long-term aids are numerous in eco-friendly technology. Developing an eco-design will support zero waste ideals, lowers carbon dioxide emissions, and encourages a circular economy. Owing to the merits of natural fibers, they can be adopted in various sectors including packaging, automobile, aerospace, electronics, biomedical, construction, and furniture.

}, keywords = {acid hydrolysis, cellulose nanofibers, Colocasia esculenta stems, High crystallinity}, issn = {2190-6815}, doi = {10.1007/s13399-022-03171-z}, author = {Dominic, C. D. Midhun and Maheswary, S. and Neenu, V. K. and Sajadi, S. Mohammad and Rosa, Derval dos Santos and Begum, P. M. Sabura and Mathew, Mariya and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and George, Tresa Sunitha and Resmi, V. C. and Ilyas, R. A. and Badawi, Michael} } @article {49634, title = {Comparative proteomics of sugarcane smut fungus- Sporisorium scitamineum unravels dynamic proteomic alterations during the dimorphic transition}, journal = {Journal of Proteomics}, volume = {304}, year = {2024}, month = {JUL }, pages = {105230}, type = {Article}, abstract = {

Life cycle of the dimorphic sugarcane smut fungi, Sporisorium scitamineum , involves recognition and mating of compatible saprophytic yeast -like haploid sporidia (MAT -1 and MAT -2) that upon fusion, develop into infective dikaryotic mycelia. Although the dimorphic transition is intrinsically linked with the pathogenicity and virulence of S. scitamineum , it has never been studied using a proteomic approach. In the present study, an iTRAQ-based comparative proteomic analysis of three distinct stages was carried out. The stages were: the dimorphic transition period - haploid sporidial stage (MAT -1 and MAT -2); the transition phase (24 h post co -culturing (hpc)) and the dikaryotic mycelial stage (48 hpc). Functional categorization of differentially abundant proteins showed that the most altered biological processes were energy production, primary metabolism, especially, carbohydrate, amino acid, fatty acid, followed by translation, post -translation and protein turnover. Several differentially abundant proteins (DAPs), especially in the dikaryotic mycelial stage were predicted as effectors. Taken together, key molecular mechanisms underpinning the dimorphic transition in S. scitamineum at the proteome level were highlighted. The catalogue of stage -specific and dimorphic transition -associated -proteins and potential effectors identified herein represents a list of potential candidates for defective mutant screening to elucidate their functional role in the dimorphic transition and pathogenicity in S. scitamineum . Biological significance: Being the first comparative proteomics analysis of S. scitamineum , this study comprehensively examined three pivotal life cycle stages of the pathogen: the non-pathogenic haploid phase, the transition phase, and the pathogenic dikaryotic mycelial stage. While previous studies have reported the sugarcane and S. scitamineum interactions, this study endeavored to specifically identify the proteins responsible for pathogenicity. By analyzing the proteomic alterations between the haploid and dikaryotic mycelial phases, the study revealed significant changes in metabolic pathway -associated proteins linked to energy production, notably oxidative phosphorylation, and the citrate cycle. Furthermore, this study successfully identified key metabolic pathways that undergo reprogramming during the transition from the non-pathogenic to the pathogenic stage. The study also deciphered the underlying mechanisms driving the morphological and physiological alterations crucial for the S. scitamineum virulence. By studying its life cycle stages, identifying the key metabolic pathways and stage -specific proteins, it provides unprecedented insights into the pathogenicity and potential avenues for intervention. As proteomics continues to advance, such studies pave the way for a deeper understanding of plantpathogen interactions and the development of innovative strategies to mitigate the impact of devastating pathogens like S. scitamineum.

}, keywords = {dimorphism, fungi, iTRAQ, Smut, Sugarcane, Virulence}, issn = {1874-3919}, doi = {10.1016/j.jprot.2024.105230}, author = {Kumaravel, Nalayeni and Ebinezer, Leonard Barnabas and Ashwin, N. M. R. and Franchin, Cinzia and Battisti, Ilaria and Carletti, Paolo and Sundar, Amalraj Ramesh and Masi, Antonio and Malathi, Palaniyandi and Viswanathan, Rasappa and Arrigoni, Giorgio} } @article {49110, title = {Concentration-dependent SILAR synthesized Di-bismuth copper oxide nano-materials electrode in asymmetric supercapacitor}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {35}, year = {2024}, month = {JAN}, pages = {129}, type = {Article}, abstract = {

In this study, we present a novel approach to prepare bismuth oxide deposited on copper substrate (Bi2CuO4) electrodes using a binder-free successive ionic layer adsorption and reaction (SILAR) technique, demonstrating their potential for energy storage applications. The resulting Bi2CuO4 electrode exhibits a tetragonal crystal structure with a polycrystalline nature, as confirmed by X-ray diffraction (XRD). Field emission scanning electron microscopy (FE-SEM) reveals a distinctive sphere-like structure with hydrophilic characteristics, as determined from contact angle measurements. X-ray photoelectron spectroscopy (XPS) further validates the composition of the sample. The electrochemical performance of Bi2CuO4 is remarkable, with a specific capacitance (SC) of 1795.9 F/g at 16 mA/cm(2). When used as an anode in an asymmetric solid-state device (ASSD) alongside activated carbon (AC) as the cathode, the Bi2CuO4 electrode attains a maximum energy density (SE) of 169.5 Wh/kg at 16 mA/cm(2) and a peak power density (SP) of 15.9 kW/kg at 24 mA/cm(2). In a 1 M KOH-polyvinyl alcohol (PVA) polymer solution, the Bi2CuO4//AC pencil-type cell achieves a superior SC of 94.5 F/g at 5 mV/s, retaining approximately 92\% of its initial performance even after 5000 charge-discharge cycles. The resulting SE and SP are 43.1 Wh/kg and 5.2 kW/kg at 10 mA/cm(2), respectively. This research presents an efficient and straightforward synthesis method for producing high-performance pencil-type supercapacitors at a laboratory scale. Furthermore, we demonstrate the potential of a homemade pencil-type supercapacitor device (Bi2CuO4//AC) to power a light-emitting diode (LED), highlighting its practical utility in various energy storage applications.

}, issn = {0957-4522}, doi = {10.1007/s10854-023-11818-4}, author = {Bobade, R. G. and Dabke, N. B. and Shaikh, Shoyebmohamad F. and Al-Enizi, Abdullah M. and Pandit, Bidhan and Lokhande, B. J. and Ambare, R. C.} } @article {49295, title = {Continuous flow synthesis of hierarchical low silica X zeolite}, journal = {Materials Today Communications}, volume = {39}, year = {2024}, month = {JUN}, pages = {109047}, type = {Article}, abstract = {

Zeolites, renowned for their versatile applications in catalysis, adsorption, and ion exchange, have long been synthesized using conventional batch processes. However, the inherent limitations of these methods, such as resource-intensive conditions and inconsistent product quality, underscore the need for a sustainable and efficient approach. In this study, a continuous flow synthesis process was established for the synthesis of industrially important low silica X (LSX) zeolite using a tubular reactor. The synthesis gel was subjected to aging for 5 days at room temperature to facilitate nucleation and crystal growth combined with the fast-heating rate in a tubular reactor at 363 K \& 1.1 atm., which in turn produces LSX after 40 min. The synthesized product was confirmed by the XRD, FE-SEM, EDS, XRF, TEM, and N2 adsorption-desorption; the data was compared with the LSX sample synthesized by batch process. The result implies that LSX prepared by continuous flow has a pure phase of LSX with the hierarchical structure, which provides better adsorption capacity of CO2 at 298 K up to 20 bar. Due to continuous flow synthesis, the crystallization time was reduced and faster kinetics which may be helpful for scale-up the process for LSX synthesis.

}, keywords = {Adsorption, Carbon dioxide, continuous flow, Low silica X, Tubular reactor, zeolites}, doi = {10.1016/j.mtcomm.2024.109047}, author = {Adarsh, V. K. and Shrotri, Aadesh R. and Birje, Amit R. and Nandanwar, Sachin U.} } @article {49292, title = {Copper/Iron cocatalyzed depolymerization of postconsumer polycarbonate: a one-pot strategy to synthesize aryl ethers}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {DEC 7}, pages = {18362-18372}, type = {Journal Article}, keywords = {aryl ethers, copper/iron cocatalysis, depolymerization, polycarbonates, Value-added products}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c06990}, author = {Moyilla, Nageswararao and Padhi, Ganeshdev and Kalsi, Deepti and Barsu, Nagaraju} } @article {49610, title = {De novo structure prediction of meteorin and meteorin-like protein for identification of domains, functional receptor binding regions, and their high-risk missense variants}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {42}, year = {2024}, month = {JUN }, pages = {4522-4536}, type = {Article}, abstract = {

Meteorin (Metrn) and Meteorin-like (Metrnl) are homologous secreted proteins involved in neural development and metabolic regulation. In this study, we have performed de novo structure prediction and analysis of both Metrn and Metrnl using Alphafold2 (AF2) and RoseTTAfold (RF). Based on the domain and structural homology analysis of the predicted structures, we have identified that these proteins are composed of two functional domains, a CUB domain and an NTR domain, connected by a hinge/loop region. We have identified the receptor binding regions of Metrn and Metrnl using the machine-learning tools ScanNet and Masif. These were further validated by docking Metrnl with its reported KIT receptor, thus establishing the role of each domain in the receptor interaction. Also, we have studied the effect of non-synonymous SNPs on the structure and function of these proteins using an array of bioinformatics tools and selected 16 missense variants in Metrn and 10 in Metrnl that can affect the protein stability. This is the first study to comprehensively characterize the functional domains of Metrn and Metrnl at their structural level and identify the functional domains, and protein binding regions. This study also highlights the interaction mechanism of the KIT receptor and Metrnl. The predicted deleterious SNPs will allow further understanding of the role of these variants in modulating the plasma levels of these proteins in disease conditions such as diabetes.

}, keywords = {domains, Meteorin, meteorin-like, missense variants, protein-protein interactions, structure prediction}, issn = {0739-1102}, doi = {10.1080/07391102.2023.2220804}, author = {Shankar, S. Shiva and Banarjee, Reema and Jathar, Swaraj M. and Rajesh, S. and Ramasamy, Sureshkumar and Kulkarni, Mahesh J.} } @article {49194, title = {Dehydrogenative coupling of alcohols with internal alkynes under nickel catalysis: an access to β-deuterated branched ketones}, journal = {ACS Catalysis}, volume = {14}, year = {2024}, month = {MAY}, pages = {8294-8309}, type = {Article}, abstract = {

In synthetic organic chemistry, unconventional strategies for advanced chemical synthesis pose interesting and challenging problems. Alcohols act as alkylating agents in the C-C and C-N bond-forming reactions via the dehydrogenative borrowing hydrogen strategy in traditional transition metal catalysis; however, as an acylating agent in the C-C bond-forming reactions is challenging and rarely reported. Here, we report the dehydrogenative coupling of benzylic alcohols with internal alkynes under nickel(II) catalysis, wherein alcohol is used as an acylating agent. This reaction system affords a wide range of alpha-branched aryl ketone derivatives with zero waste generation through the umpolung borrowing hydrogen strategy. Moreover, we have demonstrated the chemodivergent applications of the alpha-disubstituted ketones to other valuable building blocks, including large-scale synthesis of beta-deuterated branched ketones. Several spectroscopic studies, intermediate identification, and density functional theory calculations were performed to elucidate the reaction mechanism.

}, keywords = {Alcohols, alpha-branched aryl ketones, dehydrogenative coupling, internal alkynes, nickel catalysis, pseudoumpolung}, issn = {2155-5435}, doi = {10.1021/acscatal.3c06091}, author = {Subaramanian, Murugan and Gouda, Chandrakant and Roy, Triptesh Kumar and Ganesan, Sivakumar and Banerjee, Subhrashis and Vanka, Kumar and Balaraman, Ekambaram} } @article {49291, title = {Depolymerization of waste polyethylene to linear alkenes via sequential dehydrogenation and metathesis}, journal = {Green Chemistry}, volume = {26}, year = {2024}, month = {OCT}, pages = {10558-10566}, type = {Article}, abstract = {

Polyethylene (PE) is the most abundantly sourced plastic and significant efforts are needed for its end-of-life management. The deconstruction of PE is an uphill task and requires the breaking of highly stable C-C bonds. Here we demonstrate that PE can be deconstructed to value-added dodecene, along with other long-chain alkenes. The PCP-iridium complex catalyzes the dehydrogenation of commercial and post-consumer polyethylene waste to produce dehydrogenated polyethylene (DHP) with 0.5-1.0\% unsaturation. The DHP was subjected to an ethylene cross-metathesis reaction in the presence of suitable catalysts. Through meticulous optimization of reaction parameters, 63\% selectivity toward dodecene, with 26\% overall yield, was achieved. The practical significance of our method has been demonstrated by subjecting post-consumer plastic waste to dehydrogenation followed by ethylene metathesis to produce dodecene as a major product, together with long-chain alkenes. The PE deconstruction has been confirmed by recording molar mass before and after depolymerization using high-temperature gel permeation chromatography. The existence of dodecene has been unambiguously ascertained using GC, GC-MS, NMR, and IR spectroscopy. Thus, these results demonstrate the conversion of waste PE to value-added dodecene and long-chain alkenes under mild reaction conditions.

}, issn = {1463-9262}, doi = {10.1039/d4gc03646h}, author = {Khopade, Kishor V. and Rajput, Nikhita S. and Rangappa, Raghavendrakumar and Barsu, Nagaraju and Chikkali, Samir H.} } @article {49202, title = {Design of Bi-functional mixed oxide electrodes for selective oxidative C-C cleavage of glycerol to formate and synchronized green hydrogen production}, journal = {Sustainable Energy \& Fuels}, volume = {8}, year = {2024}, month = {JUN }, pages = {2954-2968}, type = {Article}, abstract = {

Alkaline water electrolysis is a mature method to produce green hydrogen; however, it suffers from significantly high cost as high overpotentials are required for the oxygen evolution reaction (OER). However, the OER could be avoided altogether by replacing it with kinetically favorable oxidation of abundantly available feedstock molecules at a significantly low potential to value-added product(s) together with green hydrogen generation. This is a potential method to address the high cost of green hydrogen production while converting waste to wealth. Herein, we report green, template-free hydrothermal synthesis of an electrochemically active NiCoMn mixed oxide (NCMO) electrocatalyst with multiple sites, porous structure, large surface area, and nanoneedle (NN) morphology deposited directly over Ni foam (NF). Sustainable electrocatalytic performance was demonstrated for 120 h in 0.2 M alkaline glycerol using chronoamperometry and chronopotentiometry. Highly selective formate production demonstrated an exclusive C-C cleavage with the present catalyst system. Oxides of individual metal-ions (Ni, Co, and Mn) and their bimetallic combination (NiCo, NiMn, and CoMn) exhibited lower activity and product selectivity than the trimetallic NCMO electrocatalyst. The membrane-free two-electrode electrolyzer setup with NCMO/NF at both the anode and cathode (NCMO/NF \& Vert;NCMO/NF) requires 1.63 V to accomplish 100 mA cm-2 with 0.2 M glycerol, which is 296 mV less than that of 1 M KOH solution. High faradaic efficiency was observed for hydrogen (98\%) with highly selective formate (90\%) production. Electrocatalytic formate generation from an alkaline glycerol solution with NCMO is an energy-efficient and promising approach that also supplies carbon-negative green H2. NiCoMn oxide nanoneedles with a cactus-like morphology are shown as bifunctional electrocatalysts that selectively oxidize glycerol to HCOOH and concurrently produce H2.

}, issn = {2398-4902}, doi = {10.1039/d4se00434e}, author = {Saha, Arindam and Murugiah, Vasantharadevi and Ranjan, Ravi and Chauhan, Inderjeet and Patra, Kshirodra Kumar and Bajpai, Himanshu and Saha, Avisekh and Gopinath, Chinnakonda S.} } @article {49355, title = {Design, synthesis, anti-inflammatory evaluation and in silico molecular docking of novel furan-based derivatives as potential TNF-α production inhibitors}, journal = {Letters in Drug Design \& Discovery}, volume = {21}, year = {2024}, month = {JAN}, pages = {2916-2925}, type = {Article}, abstract = {

Introduction Inflammation is the first response and an alarming signal for the onset of chronic disease. Most of the anti-inflammatory drugs available in the market are reported to have undesirable gastrointestinal toxicities. Therefore, it is of urgent significance to develop anti-inflammatory drugs with low toxicity and good efficacy.Methods We created a targeted scaffold based on a literature review by combining the different structural characteristics of furan and benzyl amides into a single pharmacophore. A series of eighteen furan-based derivatives (1-18) were designed, synthesized for in vitro and in vivo anti-inflammatory activity. The characterization of synthesized compounds was elucidated by techniques like 1H-NMR, 13C-NMR, FT-IR and MS.Results The synthetic compounds were examined through molecular docking studies on TNF-alpha for probable binding mode and interactions with hydrophilic and hydrophobic pocket of TNF-alpha in comparison to standard drug (Indomethacin).Conclusion When compared to the standard treatment, compounds 18, 15 and 9 displayed a remarkable inhibitory effect on the production of TNF-alpha and in vivo inflammatory activity with no damage to stomach and reduction of LPO. The compounds 18, 15 and 9 might be a good consideration for potential anti-inflammatory agents.

}, keywords = {analgesic, Anti-inflammatory, Furan-based derivatives, Lipid peroxidation, TNF-alpha, ulcerogenic}, issn = {1570-1808}, doi = {10.2174/1570180820666230828151523}, author = {Bhoge, Satish and Singh, Prabal Pratap and Das, Deepak and Ali, Yakub and Dhulap, Abhijeet} } @article {49343, title = {Design, synthesis, anti-mycobacterial activity, molecular docking and ADME analysis of spiroquinoxaline-1,2,4-oxadiazoles via [3+2] cycloaddition reaction under ultrasound irradiation}, journal = {MOLECULAR DIVERSITY}, volume = {28}, year = {2024}, month = {DEC 2024}, pages = {3979-3991}, type = {Journal Article}, keywords = {2, 4-oxadiazoles, cytotoxicity activity, molecular, Mycobacterium tuberculosis, Spiroquinoxaline-1}, issn = {1381-1991}, doi = {10.1007/s11030-023-10790-9}, author = {Kanchrana, Madhu and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas} } @article {49417, title = {Designing of imine thiophene-ligated metal-complexes and implication in ethylene polymerization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, year = {2024}, month = {SEP}, type = {Article; Early Access}, abstract = {

Polyethylene is the single largest volume polymer produced globally using Ziegler-type catalysts. Numerous modifications have been reported in search of a better catalyst that can control molecular weight, polydispersity, and branching. In our attempts to identify a suitable imine thiophene-ligated chromium complex, we examined 9 different titanium complexes computationally. The DFT investigations considered barriers for insertion, propagation, and termination by beta-H elimination or chain transfer, and identified N-(4-methoxyphenyl)-2-phenyl-1-(thiophen-2-yl)ethan-1-imine(L9) as the most suitable ligand. Subsequently, L9 was prepared in good yield (70\%) by condensing 2-phenyl-1-(thiophen-2-yl)ethan-1-one with 4-methoxyaniline. Ligand L9 was treated with early transition metal precursors (Ti, Cr, Zr) to generate a homogenous catalyst. The identity of these catalysts was unambiguously ascertained using a combination of NMR, ICP, FT-IR, UV-Vis spectroscopy, and ESI-MS. The performance of L9-ligated titanium complex [Cat.1] was examined in ethylene polymerization using MMAO as a co-catalyst. Insertion of ethylene was tracked using high-pressure NMR experiments and Cat.1 was found to be active in the polymerization. Ethylene polymerization conditions were optimized to obtain high activity and molecular weight polyethylene. The chromium complex [Cat.2] outperformed the Ti and Zr-derived catalysts with the highest TOF of 6294 mol of PE/mol of Cr/h. Cat.2 produced high molecular weight, high-density polyethylene.

}, keywords = {Cr-complexes, DFT, high-density polyethylene, Imine thiophene ligand, Polyethylene}, issn = {1060-1325}, doi = {10.1080/10601325.2024.2409753}, author = {Shaikh, Maulali H. and Ramekar, V. Rohan and Jawoor, Shailaja and Dash, Soumya R. and Birajadar, Rajkumar S. and Pawal, Sandip B. and Thenmani, Nandakumar and Vanka, Kumar and Chikkali, Samir H.} } @article {49648, title = {Development of an in silico platform (TRIPinRNA) for the identification of novel RNA intramolecular triple helices and their validation using biophysical techniques}, journal = {Biochemistry}, volume = {64}, year = {2024}, month = {DEC}, pages = {250-265}, type = {Article}, abstract = {

There are surprisingly few RNA intramolecular triple helices known in the human transcriptome. The structure has been most well-studied as a stability-element at the 3 {\textquoteleft} end of lncRNAs such as MALAT1 and NEAT1, but the intrigue remains whether it is indeed as rare as it is understood to be or just waiting for a closer look from a new vantage point. TRIPinRNA, our Python-based in silico platform, allows for a comprehensive sequence-pattern search for potential triplex formation in the human transcriptome-noncoding as well as coding. Using this tool, we report the putative occurrence of homopyrimidine type (canonical) triple helices as well as heteropurine-pyrimidine strand type (noncanonical) triple helices in the human transcriptome and validate the formation of both types of triplexes using biophysical approaches. We find that the occurrence of triplex structures has a strong correlation with local GC content, which might be influencing their formation. By employing a search that encompasses both canonical and noncanonical triplex structures across the human transcriptome, this study enriches the understanding of RNA biology. Lastly, TRIPinRNA can be utilized in finding triplex structures for any organism with an annotated transcriptome.

}, issn = {0006-2960}, doi = {10.1021/acs.biochem.4c00334}, author = {Rakheja, Isha and Bharti, Vishal and Sahana, S. and Das, Prosad Kumar and Ranjan, Gyan and Kumar, Ajit and Jain, Niyati and Maiti, Souvik} } @article {49086, title = {Diastereoselective synthesis of functionalized spiroindolines via intramolecular ipso-iodocyclization/nucleophile addition cascade reactions of indole-tethered ynones}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {MAY }, pages = {3415-3419}, type = {Article}, abstract = {

Herein, we describe a highly diastereoselective approach for synthesizing polyfunctionalized spiroindolines from indolyl-ynones involving an ipso-iodocyclization/nucleophile addition cascade. The developed strategy allows the formation of a spirocyclic core and the installation of two functional groups in a single operation. Also this strategy is accompanied by the generation of two C-C and one C-I bonds and two contiguous stereocenters.

}, issn = {1477-0520}, doi = {10.1039/d4ob00112e}, author = {Bag, Debojyoti and Sawant, Sanghapal D.} } @article {49222, title = {Direct oxidation of alcohols to carboxylic acids using simple and economical Pd@Glu-HTC catalyst: practical and scalable approach towards biomass based value added chemicals}, journal = {Biomass \& Bioenergy}, volume = {187}, year = {2024}, month = {AUG}, pages = {107290}, type = {Article}, abstract = {

Sustainable catalytic transformation of bio-based alcohols to high value-added fine chemicals is an important topic of research. This work described preparation of simple and economical Pd@Glu-HTC catalyst from biomass derived low cost D-glucose. Hydrothermal carbonization of glucose was carried out in first step to synthesize GluHTC support in a simpler, greener, economical and efficient manner followed by incorporation of palladium metal on surface of the catalyst in second step. The catalyst was characterized using techniques such as Fourier Transform Infrared Spectroscopy (FT-IR), Solid-state Cross-Polarization Magic Angle Spinning Carbon-13 (13C CPMAS), Energy-dispersive X-ray spectroscopy (EDAX), Powder X-ray diffraction (P-XRD), X-ray photoelectron spectroscopy (XPS), Thermogravimetric/Differential Thermal Analyzer (TG-DTA), Field emission scanning electron microscopy (FE-SEM) and High-resolution transmission electron microscopy (HR-TEM). The catalyst was evaluated for direct oxidation of alcohols to yield carboxylic acids and exhibited very good catalytic activity for wider substrate scope. Oxidation of alcohols was carried out using milder base, molecular oxygen and water as a solvent to achieve 92-99 \% excellent yields. The practical utility of current strategy was also studied for gram scale synthesis of bio-based value added industrially important chemicals such as furoic acid (flavouring agent and preservative in industry), 2, 5-furan-dicarboxylic acid (monomer to 100 \% fossil-free, recyclable polymer polyethylene furanoate (PEF), tetrahydro-2-furoic acid (production of many drugs) and vanillin (important product of flavor and fragrance industry). Pd@Glu-HTC catalyst was found to be reusable for four recycles and the catalytic performance was retained without any loss in its activity after four cycles.

}, keywords = {Bio-based chemicals, Carbonaceous catalyst, Carboxylic acid, Oxidation}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2024.107290}, author = {Kirdant, Swapnali P. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49040, title = {Dishevelled2 activates WGEF via its interaction with a unique internal peptide motif of the GEF}, journal = {COMMUNICATIONS BIOLOGY}, volume = {7}, year = {2024}, month = {MAY }, pages = {543}, type = {Article}, abstract = {

The Wnt-planar cell polarity (Wnt-PCP) pathway is crucial in establishing cell polarity during development and tissue homoeostasis. This pathway is found to be dysregulated in many pathological conditions, including cancer and autoimmune disorders. The central event in Wnt-PCP pathway is the activation of Weak-similarity guanine nucleotide exchange factor (WGEF) by the adapter protein Dishevelled (Dvl). The PDZ domain of Dishevelled2 (Dvl2PDZ) binds and activates WGEF by releasing it from its autoinhibitory state. However, the actual Dvl2PDZ binding site of WGEF and the consequent activation mechanism of the GEF have remained elusive. Using biochemical and molecular dynamics studies, we show that a unique {\textquoteleft}{\textquoteleft}internal-PDZ binding motif{\textquoteright}{\textquoteright} (IPM) of WGEF mediates the WGEF-Dvl2PDZ interaction to activate the GEF. The residues at P 2 , P 0 , P -2 and P -3 positions of IPM play an important role in stabilizing the WGEFpep-Dvl2PDZ interaction. Furthermore, MD simulations of modelled Dvl2PDZ-WGEFIPM peptide complexes suggest that WGEF-Dvl2PDZ interaction may differ from the reported Dvl2PDZ-IPM interactions. Additionally, the apo structure of human Dvl2PDZ shows conformational dynamics different from its IPM peptide bound state, suggesting an induced fit mechanism for the Dvl2PDZ-peptide interaction. The current study provides a model for Dvl2 induced activation of WGEF. This study identifies a unique {\textquoteleft}{\textquoteleft}internal-PDZ binding motif{\textquoteright}{\textquoteright} (IPM) of WGEF that mediates its interaction with Dvl2PDZ, leading to the release of GEF from its autoinhibitory state. It further unravels the underlying mutual Dvl2-IPM recognition aspects.

}, doi = {10.1038/s42003-024-06194-6}, author = {Omble, Aishwarya and Mahajan, Shrutika and Bhoite, Ashwini and Kulkarni, Kiran} } @article {49228, title = {Divergent synthesis of unsymmetrical Bis-heteroaryl ketones via base-promoted cascade reactions of 1,2-alkynedione-derived N-propargylic β-enaminones}, journal = {JOURNAL OF ORGANIC CHEMISTRY}, volume = {89}, year = {2024}, month = {AUG }, pages = {11665-11670}, type = {Journal Article}, keywords = {ASYMMETRIC-SYNTHESIS, heterocycles, intramolecular cyclization, pyrroles}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01407}, author = {Bag, Debojyoti and Saini, Sheetal and Rathod, Mahesh S. and Sawant, Sanghapal D.} } @article {49119, title = {Durable and stable bifunctional Co3O4-based nanocatalyst for oxygen reduction/evolution reactions}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {FEB }, pages = {3620-3630}, type = {Article}, abstract = {

The oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are recognized as the core reaction processes in regenerative energy storage and conversion systems. The design of cost-effective and high-performance bifunctional ORR/OER electrocatalysts (ECs) is very important for their substantial commercialization. Herein, sponge-like Co3O4 nanoparticles anchored on carbon (Sp-Co3O4/C) are successfully fabricated by a facile two-step solvothermal strategy for ORR/OER in an alkaline electrolyte. The Sp-Co3O4/C EC exhibits promising bifunctional ORR/OER activity with ORR onset potential (E onset = 0.88 V vs RHE), half-wave potential (E (1/2) = 0.75 V), limiting current density (j = -6.60 mA cm(-2)), OER onset potential (E-onset = 1.26 V), and OER overpotential for 10\% energy conversion (eta(10) = 0.38 V) in 0.1 M KOH. It demonstrates a significantly lower reversibility index (Delta E = E- j10 - E 1/2 = 0.86 V), comparable to standard Pt/C and RuO2 ECs. The superior ORR/OER performances of Sp-Co3O4/C EC can be ascribed to the synergistic contribution of a high electrochemically active surface area (48.33 m(2) g(-1)), BET surface area (131 m(2) g(-1)), the rich interfacial structure of the crystal facets (111), (220), and (311), and the abundant oxygen vacancies in the sponge-like morphology. Besides the methanol tolerance, accelerated durability and chronoamperometric test established excellent durability and stability in the electrocatalytic operation. This work offers insight into the development of high-performance ORR/OER ECs. [GRAPHICS]

}, keywords = {bifunctional, fuel cell, interface, oxygen evolution, oxygen reduction, Oxygen vacancy, Sp-Co3O4/C, sponge-like morphology}, doi = {10.1021/acsanm.3c04941}, author = {Chutia, Bhugendra and Chetry, Rashmi and Rao, Komateedi N. and Singh, Nittan and Sudarsanam, Putla and Bharali, Pankaj} } @article {49330, title = {Durable polymer composites preparation with oxy-delignified banana fiber for automotive parts: A study on mechanical and thermal properties}, journal = {INDUSTRIAL CROPS AND PRODUCTS}, volume = {222}, year = {2024}, month = {DEC }, type = {Journal Article}, keywords = {Automotive parts, Banana fiber, Oxygen delignification, polypropylene, Twin-screw extruder}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2024.119942}, author = {Mulla, Abdul Mannan and Munagala, Chandan K. and Kesari, Aman K. and Raju, L. Yugender and Nagar, Harsha and Behara, Dilip K. and Aniya, Vineet} } @article {49455, title = {Early detection of KP.2 SARS-CoV-2 variant using wastewater-based genomic surveillance in Pune, Maharashtra, India}, journal = {Journal of Travel Medicine}, year = {2024}, month = {JUL}, type = {Article}, doi = {https://doi.org/10.1093/jtm/taae097}, author = {Rajput, Vinay and Das, Rashmita and Pramanik, Rinka and Nannaware, Kiran and Sushma, Y. and Taji, Nyabom and Rajput, Vishal and Rajkhowa, Riyakshi and Pacharne, Poonam and Shah, Priyanki and Gogate, Niharika and Sangwar, Poornima and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Shashidhara, L. S. and Karyakarte, Rajesh and Dharne, Mahesh} } @article {49099, title = {Effect of covalently functionalized Indian bentonite clay on thermal, mechanical strength and morphology structure of extrusion/injection-molded nylon 6 composites}, journal = {Polymers for Advanced Technologies}, volume = {35}, year = {2024}, month = {MAY}, pages = {e6412}, type = {Article}, abstract = {

The research and development of functional polymer composites and their production have posed significant challenges, particularly in creating high mechanical strength and thermal stability composites. In this study, we utilized a micro corotation extruder and injection molding to produce covalently functionalized Indian bentonite clay-nylon 6 high-strength nanocomposites. For comparison, two different amines, 3-aminopropyl trimethoxysilane and N-[3-(trimethoxysilyl) propyl] ethylene di-amine, were used to functionalize bentonite clay. Additionally, 3\% and 5\% less amino clay filler was added in the nanocomposite to manufacture the polymer composite. Analytical techniques such as Powder X-Ray Diffraction, Fourier transform infrared, thermal gravimetric analysis, and Brunauer-Emmett-Teller surface area were used to characterize the molecular orientation of amine functionalization on clay minerals. Wide-angle X-ray diffraction, atomic force microscopy, and transmission electron microscope were used to characterize the nylon 6 intercalated in amino clay nanocomposite and the polymer structure morphology. Thermogravimetric analysis and differential scanning calorimetry were used to investigate the crystalline thermal behavior of clay-nylon 6 composites. From the results, it was observed that the composition containing 5 wt.\% amino clay demonstrated a significant improvement in tensile strength when compared with the composition containing 3 wt.\% amino clay. The mechanical strength and the thermal behavior showed a significant improvement of similar to 200\% for 5\% amino clay-nylon 6 nanocomposite.

}, keywords = {amine-functionalized clay, bentonite clay, melt intercalation, Nanocomposite, nylon 6, thermal and mechanical properties}, issn = {1042-7147}, doi = {10.1002/pat.6412}, author = {Shanmugam, Kumaresan and Rokade, Dhammaraj S. and Ingole, Pravin G. and Pol, Harshawardhan V. and Arunachalam, Saravanakumar and Bajaj, Hari C.} } @article {48905, title = {Effect of CTMABr/SiO2 molar ratio in synthesis of micro-mesoporous ZSM-5 composite and its application in 5-EMF (biofuel additive) formation}, journal = {Environmental Progress and Sustainable Energy }, volume = {43}, year = {2024}, month = {JAN}, type = {Article}, abstract = {

Synthesis of micro-mesoporous zeolite composite with optimum micro and mesoporosity is an emerging research area due to its wide applications, especially in bulk chemical or biomass transformations. It offers advantages in preserving zeolite crystallinity, creating mesoporosity and converting bulky molecules into valuable products. This work presents the process of preparing bimodal micro-mesoporous ZSM-5 using dual templates (CTMABr and TPABr). XRD, N2 adsorption-desorption, SEM, TEM, Si-29, and Al-27 NMR were used to analyze the two-dimensional micro-mesoporous ZSM-5. One-step synthesis of bimodal micro-mesoporous ZSM-5 features dual micro/mesoporosity by a marginal decrease in the crystallinity (71\%). Micro-mesoporous ZSM-5 composite was found to be dependent on the optimum CTMABr/SiO2 molar ratio of 0.04 to 0.06. The micro-mesoporous ZSM-5 zeolite composite was evaluated for cascade synthesis of 5-EMF (methoxymethyl furfural- biofuel additive) from fructose and exhibited a five fold increase in 5-EMF yield to 24.2\% as compared with parent ZSM-5 (4.6\%).

}, keywords = {fructose, methoxymethyl furfural-biofuel additive, micro-meso composite, ZSM-5}, issn = {1944-7442}, doi = {10.1002/ep.14258}, author = {Manal, Prajakta N. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Bokade, Vijay V.} } @article {49636, title = {Effect of furfural, acetic acid and 5-hydroxymethylfurfural on yeast growth and xylitol fermentation using Pichia stipitis NCIM 3497}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {FEB}, pages = {4909-4923}, type = {Article}, abstract = {

The valorization of C5 sugars (xylose) from hemicellulose of agro-industrial residues to xylitol, as one of the multi-products biorefinery approach, mandates the pretreatment of biomass which releases fermentable sugars along with the generation of biological inhibitors affecting xylitol fermentation. This study was therefore evaluated to understand the inhibitory kinetics of furfural, 5-hydroxymethylfurfural and acetic acid on xylitol fermentation. Xylitol fermentation was established using Pichia stipitis NCIM 3497 with xylose as a pure substrate optimized for xylitol yield and productivity of 0.48 g/g of xylose and 0.13 g/L/h, respectively. The functional relationship of yeast specific growth rate and limiting substrate (xylose) was expressed by Monod-type kinetics. The inhibition kinetics results indicated that the effect of inhibitors on xylitol fermentation was furfural \> acetic acid \> HMF. Furfural (500 mg/L) and acetic acid (1000 mg/L) reduced xylitol yield by 59\% and 44\%, respectively, with least reduction of 9.89\% exhibited by HMF. The synergistic effect of 500 mg/L furfural, 500 mg/L HMF and 1000 mg/L acetic acid showed the highest reduction in xylitol yield of 67.6\% as compared to the control. Kinetic studies predicted that the maximum concentration of furfural, HMF and acetic acid which inhibited P. stipitis growth was 884 mg/L, 3258 mg/L and 2922 mg/L, respectively, whereas xylitol production was completely inhibited at 1069 mg/L furfural, 3498 mg/L HMF and 3714 mg/L acetic acid. Furfural and acetic acid were found to be a competitive inhibitor, while uncompetitive inhibition was observed with HMF indicating negligible effect on xylitol fermentation.

}, keywords = {Acetic acid, furfural, HMF, Inhibition kinetics, Pichia stipitis, Xylitol fermentation}, issn = {2190-6815}, doi = {10.1007/s13399-022-02758-w}, author = {Bhavana, B. K. and Mudliar, Sandeep N. and Bokade, V. V. and Debnath, S.} } @article {49029, title = {Effect of the presence of pinned particles on the structural parameters of a liquid and correlation between structure and dynamics at the local level}, journal = {Journal of Chemical Physics}, volume = {160}, year = {2024}, month = {APR }, type = {Article}, abstract = {

Pinning particles at the equilibrium configuration of the liquid is expected not to affect the structure and any property that depends on the structure while slowing down the dynamics. This leads to a breakdown of the structure dynamics correlation. Here, we calculate two structural quantities: the pair excess entropy, S-2, and the mean field caging potential, the inverse of which is our structural order parameter (SOP). We show that when the pinned particles are treated the same way as the mobile particles, both S-2 and SOP of the mobile particles remain the same as those of the unpinned system, and the structure dynamics correlation decreases with an increase in pinning density, {\textquoteleft}{\textquoteleft}c.{\textquoteright}{\textquoteright} However, when we treat the pinned particles as a different species, even if we consider that the structure does not change, the expression of S-2 and SOP changes. The microscopic expressions show that the interaction between a pinned particle and a mobile particle affects S-2 and SOP more than the interaction between two mobile particles. We show that a similar effect is also present in the calculation of the excess entropy and is the primary reason for the well-known vanishing of the configurational entropy at high temperatures. We further show that, contrary to the common belief, the pinning process does change the structure. When these two effects are considered, both S-2 and SOP decrease with an increase in {\textquoteleft}{\textquoteleft}c,{\textquoteright}{\textquoteright} and the correlation between the structural parameters and the dynamics continues even for higher values of {\textquoteleft}{\textquoteleft}c.{\textquoteright}{\textquoteright}

}, issn = {0021-9606}, doi = {10.1063/5.0191680}, author = {Patel, Palak and Bhattacharyya, Sarika Maitra} } @article {49312, title = {An effective, facile, and rapid synthesis of nanosized Mn3O4 using a microwave route}, journal = {Journal of Nanoparticle Research}, volume = {26}, year = {2024}, month = {OCT}, pages = {239}, type = {Article}, abstract = {

Microwave-assisted one-pot, one-step, calcination-free synthesis of nanosized Mn3O4 is reported using only benzylamine and manganese acetate. Benzylamine in this protocol plays a vital role for efficient microwave synthesis. This microwave method enables the synthesis of nanosized Mn3O4 in just few hours only in a single step eliminating the need of calcinations of any intermediate. The synthesized nanosized Mn3O4 was analyzed by XRD, HRTEM, EDAX, and Raman spectroscopy. The catalytic and electrochemical properties of as-synthesized Mn3O4 were investigated. In galvanostatic charge-discharge experiments, after 800 cycles, more than 89\% capacitance was retained for electrodes made by as synthesized Mn3O4 nanomaterials indicating its very good stability. In the catalytic conversion of cinnamyl alcohol to cinnamaldehyde via oxidation, using as prepared nanosized Mn3O4 as a catalyst, it displays effective catalytic properties. A probable mechanical study of its formation was also envisaged. This synthesis protocol is additive-free, occurs in a short time, is facile, is energy efficient, and eliminates the use of many chemicals. These silent features make these reported protocols economically viable and environmentally benign which adhere to the principles of Green Chemistry.

}, keywords = {Calcination free, Electrochemical and catalytic properties, Nanosized Mn3O4, Single-step synthesis}, issn = {1388-0764}, doi = {10.1007/s11051-024-06148-3}, author = {Yadav, Akash and Jha, Ratnesh and Bhatkar, Akash and Kamble, Aditi and Vaishnav, Vishal and Bogalera, Shivamurthy P. and Manikandan, Marimuthu and Nayaka, Girish Praveen and Umbarkar, Shubhangi and Raja, Thirumalaiswamy and Bhatte, Kushal D.} } @article {49108, title = {Effects of gamma irradiation on non-polar GaN films deposited on sapphire using pulsed laser deposition}, journal = {Applied Surface Science }, volume = {654}, year = {2024}, month = {MAY }, type = {Article}, abstract = {

The GaN films/layers exposed to gamma-radiations is known to harvest defects and vacancies in the crystals producing donor, acceptor and recombination centers within the bandgap. Therefore it is important to investigate and study the gamma- ray irradiation effects on various physical and chemical properties of a material before any optoelectronic and/or electronic devices are being fabricated. To avoid Stark effect which is observed in most of the optoelectronic devices fabricated using GaN films grew along polar face, use of non-polar GaN films is suggested by researchers. To address such issues the article reports the investigations of physical and chemical properties of non-polar GaN films grown on polar substrate using pulsed laser deposition, which were exposed to the 60Co gamma rays varying dose values. Resistive nature against the impairment of the films caused by gamma-rays observed herewith is highly encouraging, suggesting the use of non-polar GaN films as radiations harden material suitable for fabricating new generation gamma-ray detectors. To our knowledge very limited information is available that report such investigations.

}, keywords = {Gallium nitride, Gamma rays, PL emission, pulsed laser deposition}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2024.159526}, author = {Rajgoli, Tahir and Sant, Tushar and Jejurikar, Suhas M. and Hinge, Sandip and Banpurkar, Arun and Dahiwale, S. S. and Late, Datta} } @article {49233, title = {Efficient glycolysis of used PET bottles into a high-quality valuable monomer using a shape-engineered MnO nanocatalyst}, journal = {CATALYSIS SCIENCE \& TECHNOLOGY}, volume = {14}, year = {2024}, month = {SEP }, type = {Journal Article}, keywords = {Catalyst, kinetics, Nanorods, Oxidation, Oxides, POLY(ETHYLENE-TEREPHTHALATE), WASTE}, issn = {2044-4753}, doi = {10.1039/d4cy00823e}, author = {Swapna, Bhattu and Singh, Nittan and Patowary, Suranjana and Bharali, Pankaj and Madras, Giridhar and Sudarsanam, Putla} } @article {48918, title = {Efficient synthesis of a monomer for bioplastic-FDCA using glucose-HTC catalyst and pinnick oxidation from HMF \& fructose}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {FEB}, pages = {718-724}, type = {Article}, abstract = {

An efficient solvent mediated \& use of metal-free catalyst strategy was developed for synthesis of FDCA over two steps. A simple \& economical glucose-hydrothermally carbonized (Glu-HTC) catalyst was prepared and evaluated for synthesis of 2,5-Diformyl furan (DFF) from fructose \& 5-hydroxymethylfurfural (HMF) in the 1(st) step. DFF was then converted to FDCA using Pinnick oxidation in the 2(nd) step. DFF was obtained in 82\% \& 86\% yields from fructose \& HMF respectively whereas FDCA was obtained in 94-95\% yield from DFF. FDCA was thus formed in an overall yield of 78\% and 81\% from fructose \& HMF respectively. This strategy eliminated use of expensive noble metals for FDCA synthesis and also intermediates such as HMFCA \& FFCA were not observed after the reaction as DFF was completely oxidized to FDCA.

}, keywords = {2, 5-Diformyl furan (DFF), 5-Furandicarboxylic acid, Biomass, D-fructose}, issn = {1011-372X}, doi = {10.1007/s10562-023-04308-z}, author = {Kirdant, Swapnali P. P. and Bankar, Shubham R. R. and Jadhav, Vrushali H. H.} } @article {49079, title = {Electrocatalytic glycerol conversion: a low-voltage pathway to efficient carbon-negative green hydrogen and value-added chemical production}, journal = {ACS Applied Materials and Interfaces }, volume = {16}, year = {2024}, month = {MAY }, pages = {26130-26141}, type = {Article}, abstract = {

Electrochemical glycerol oxidation reaction (GLYOR) could be a promising way to use the abundantly available glycerol for production of value-added chemicals and fuels. Completely avoiding the oxygen evolution reaction (OER) with GLYOR is an evolving strategy to reduce the overall cell potential and generate value-added chemicals and fuels on both the anode and cathode. We demonstrate the morphology-controlled palladium nanocrystals, afforded by colloidal chemistry, and their established morphology-dependent GLYOR performance. Although it is known that controlling the morphology of an electrocatalyst can modulate the activity and selectivity of the products, still it is a relatively underexplored area for many reactions, including GLYOR. Among nanocube (Pd-NC), truncated octahedron (Pd-TO), spherical and polycrystalline (Pd-PC) morphologies, the Pd-NC electrocatalyst deposited on a Ni foam exhibits the highest glycerol conversion (85\%) along with 42\% glyceric acid selectivity at a low applied potential of 0.6 V (vs reversible hydrogen electrode (RHE)) in 0.1 M glycerol and 1 M KOH at ambient temperature. Owing to the much favorable thermodynamics of GLYOR on the Pd-NC surface, the assembled electrolyzer requires an electricity input of only similar to 3.7 kWh/m(3) of H-2 at a current density of 100 mA/cm(2), in contrast to the requirement of \>= 5 kWh/m(3) of H-2 with an alkaline/PEM electrolyzer. Sustainability has been successfully demonstrated at 10 and 50 mA/cm(2) and up to 120 h with GLYOR in water and simulated seawater.

}, keywords = {electrocatalysis, Glycerol, green hydrogen, nanocube, Palladium, SDG}, issn = {1944-8244}, doi = {10.1021/acsami.4c02392}, author = {Chauhan, Inderjeet and Bajpai, Himanshu and Ray, Bishakha and Kolekar, Sadhu K. and Datar, Suwarna and Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {49071, title = {Electrochemical property of nanosphere-like MgO electrode synthesized via SILAR in asymmetric supercapacitor}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {35}, year = {2024}, month = {FEB}, pages = {363}, type = {Article}, abstract = {

In this research article, we synthesized nanospheres of MgO thin-film substrate using the successive ionic layer adsorption and reaction (SILAR) technique on stainless steel substrates. The final optimized sample was used for physical characterization. XRD revealed the cubic structure of the MgO electrode. Additionally, it was utilized for electrochemical supercapacitive characterization, including cyclic voltammetry (CV), chronopotentiometry, and electrochemical impedance spectroscopy (EIS). Results showed that MgO nanospheres exhibited a higher specific capacitance (SC) of 536.06 F/g. The maximum values of specific energy and specific power were 30.79 Wh/kg and 1420 W/kg, respectively, at 2 mA/cm2 in 1-M KOH. The EIS plot confirmed an internal resistance (Ri) of 0.86 omega, indicating good power performance and outstanding rate capability of MgO nanospheres. This material demonstrated excellent cycling capability, retaining 91.38\% capacitance after 5000 CV cycles. The MgO//AC device displayed an SC of 210.21 F/g at 5 mV/s in a PVA-KOH solid-state electrolyte. With an energy density of 23.90 Wh/kg and a power density of 1.84 kW/kg, the asymmetric supercapacitor performance showed that the MgO-based electrode is suitable for use in actual device manufacturing. After 5000 CV cycles, the supercapacitor device exhibited exceptional capacitance retention of 92.93\%. Thus, this research successfully demonstrated the usefulness of the simple and affordable SILAR method for synthesizing pure MgO nanostructures for application in supercapacitors.

}, issn = {0957-4522}, doi = {10.1007/s10854-024-12196-1}, author = {Gaikwad, D. S. and Bobade, R. G. and Suryawanshi, V. B. and Nakate, U. T. and Shaikh, S. F. and Al-Enizi, Abdullah M. and Dabke, N. B. and Lokhande, B. J. and Ambare, Revanappa C.} } @article {49338, title = {Engineered PLGA core-lipid shell hybrid nanocarriers improve the efficacy and safety of irinotecan to combat colon cancer}, journal = {ACS BIOMATERIALS SCIENCE \& ENGINEERING}, volume = {10}, year = {2024}, month = {SEP}, pages = {6661-6676}, type = {Journal Article}, keywords = {BULK-POLYMERIZATION, Drug-delivery, LIPOSOMAL DOXORUBICIN}, issn = {2373-9878}, doi = {10.1021/acsbiomaterials.4c01260}, author = {Giram, Prabhanjan S. and Nimma, Ramakrishna and Bulbule, Anuradha and Yadav, Amit Singh and Gorain, Mahadeo and Radharani, Nalukurthi Naga Venkata and Kundu, Gopal C. and Garnaik, Baijayantimala} } @article {49189, title = {Engineering inhibitory repeat domains of Pin-II type proteinase inhibitors indicate their high structural-functional tolerance to mutagenesis}, journal = {Biochemical and Biophysical Research Communications}, volume = {735}, year = {2024}, month = {NOV }, pages = {150808}, type = {Article}, abstract = {

Plant proteinase inhibitors (PIs) are critical in defending against biotic stress. Most PIs contain an inhibitory repeat domain (IRD), which serves as the functional component, displaying a high degree of sequence and structural conservation. In this study, we examined the structural and functional resilience of IRDs using a combination of computational modeling and experimental validation. We have taken an evolution-based approach to enhance the PIs effectiveness of two previously identified Capsicum annuum IRDs, IRD4 and IRD10. Through in silico site-saturation mutagenesis of IRD4 and IRD10, we identified key sites associated with enhanced PI activity for targeted mutagenesis. Binding energy predictions for a mutant IRD library, tested against target proteases, suggested that positions R11 and N32 in IRD4 and N32 and H33 in IRD10 were promising candidates for further modification to improve inhibitory potential. Subsequent experimental validation revealed that the mutant proteins IRD4_R11K and IRD4_N32S exhibited stronger chymotrypsin inhibition than the wild-type (WT) IRD4. Similarly, the mutants IRD10_N32S and IRD10_H33 N demonstrated improved trypsin inhibition relative to the WT IRD10. These findings indicate that engineered IRD variants can tolerate structural changes while maintaining or enhancing their inhibitory activity against target proteases. Overall, this study demonstrates the potential of engineering PIs to increase their structural and functional resilience, offering new opportunities for biotechnological applications.

}, keywords = {Capsicum annum, Inhibitory repeat domain, molecular modeling, plant proteinase inhibitors, Proteases, Saturation mutagenesis}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2024.150808}, author = {Barbole, Ranjit S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49375, title = {Enhanced degradation of ciprofloxacin hydrochloride using hybrid advanced oxidation process of hydrodynamic cavitation and ozonation}, journal = {Chemical Engineering \& Technology}, volume = {47}, year = {2024}, month = {OCT}, type = {Article}, abstract = {

The degradation of ciprofloxacin hydrochloride (CFX), an extensively utilized antibiotic for bacterial infections, has been studied through the application of advanced oxidation processes (AOPs) including hydrodynamic cavitation (HC), ozonation (O3), the Fenton reaction, chemical oxidation, and hybrid AOPs such as HC/O3 and Fenton/O3. Among these, the hybrid combination of HC/O3 demonstrated the highest CFX degradation of 99.82 \% within 180 min having an initial concentration of 1000 ppm. The optimization of the HC/O3 process was conducted by varying parameters including initial concentration, pH, ozone (O3) gas flowrate, and temperature. Throughout the degradation process, CFX underwent intermediate formation, which gradually degraded over time. The hydrodynamic cavitation (HC) in combination with ozone, referred to as the HC/ozonation process, was used for the degradation of ciprofloxacin hydrochloride present in wastewater. This process underwent optimization with respect to various reaction parameters, including the initial concentration, ozone flow rate, pH level, temperature, the influence of ions, and the specific water matrix. At these optimized conditions a degradation efficiency of 99.82 \% was achieved after 180 min. image

}, keywords = {active pharmaceutical ingredients, Advance Oxidation Processes, Ciprofloxacin hydrochloride, Hybrid AOPs, Hydrodynamic cavitation}, issn = {0930-7516}, doi = {10.1002/ceat.202300469}, author = {Bodawar, Narendra and Shetty, Rohit and Kamble, Sanjay and Kulkarni, Prashant} } @article {49407, title = {Enhanced disinfection efficiency using Cu vortex diode for providing safe drinking water: devising newer methodologies}, journal = {Environmental Quality Management}, volume = {34}, year = {2024}, month = {JUL}, abstract = {

The present research aims to refine the hydrodynamic cavitation technique with traditional knowledgebase of Ayurveda for more efficient water disinfection and that has huge potential for implementation in real life, especially for substituting the existing chlorination method for drinking water treatment. The study incorporates use of newer copper reactor configuration, employing vortex flow for generating cavitation for the disinfection of water. Elimination of model contaminant,\ Escherichia coli, with initial concentration of \~{}105\ CFU/mL of bacteria was used for the disinfection study. Copper vortex diode with a capacity of 1\ m3/h was employed as a cavitating device. The cavitation using copper vortex diode gave significantly higher disinfection, over 30\%, compared that with conventional vortex diode, with aluminum as material of construction, under similar conditions. Remarkably, the addition of 0.1\% betel leaf oil led to an extraordinary 260-fold increase in the rate of disinfection, requiring only a single pass to achieve complete bacteria elimination. Furthermore, a notably high synergistic index of 246.96 was achieved for the process intensification approach using the Cu vortex diode. The cost was substantially reduced by approximately three times to 0.011\ $/m3\ using the Cu vortex diode compared to the conventional vortex diode. The developed strategy offers significantly enhanced performance, as well as a techno-economical and sustainable solution for drinking water treatment to ensure the provision of safe drinking water. Moreover, the newer methodology can have the advantage of producing no harmful carcinogenic disinfection by-products compared to chemical disinfection processes apart from sustainable alternative to chlorination.

}, doi = {https://doi.org/10.1002/tqem.22279}, author = {Dixit, Divya and Balapure, Kshama and Bhandari, Vinay M.} } @article {48956, title = {Enhancing the Catalytic Activity of Pd Nanocrystals towards Suzuki Cross-Coupling by g-C3N4 Photosensitization}, journal = {Chemnanomat}, volume = {10}, year = {2024}, month = {JAN}, type = {Journal Article}, abstract = {

Developing renewable means of activating molecules over traditional catalysts for C-C bond formation is desirable for industrial applications. Herein, we report a strategy to improve the efficiency of Pd nanoparticles (NPs) for the Suzuki cross-coupling reactions by visible-light irradiation using g-C3N4 nanosheets (NSs) as photosensitizer. Pd NPs mounted on g-C3N4 become electron-rich under visible-light due to generation of excited electrons in g-C3N4 and thereby accelerate the rate-determining step. Remarkable photocatalytic activity was accomplished utilizing Pd/g-C3N4 for the Suzuki cross-coupling reaction in environmentally benign aqueous settings under room temperature conditions. The activity remarkably improves (similar to 2.5 times) upon light irradiation, yielding one of the highest known turnover frequencies (TOF) of 1858 h(-1) and confirming the photosensitizer role of g-C3N4. The TOF for coupling of aryl bromides is also significantly high (similar to 356 h(-1)). We establish that the low-energy/long-lived excitons preferencially transfer to Pd, paving a way for rational designing photocatalysts for various C-C coupling reactions.

}, keywords = {2D graphitic carbon nitride, C-C cross-coupling, exciton transfer, heterogeneous photocatalyst, Photosensitization}, issn = {2199-692X}, doi = {10.1002/cnma.202300451}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Banoo, Maqsuma and Vaishnav, Yuvraj and Prabhakaran Vinod, Chathakudath and Gautam, Ujjal} } @article {49094, title = {Enhancing the crystallization kinetics and mechanical properties of poly(lactic acid) blends for 3D printing application}, journal = {ACS Applied Polymer Materials }, volume = {6}, year = {2024}, month = {MAY }, pages = {5754-5762}, type = {Article}, abstract = {

3D printing of poly(lactic acid) (PLA) blends has been attempted to resolve issues such as inherent brittleness and slow crystallization rate of PLA. However, a persistent challenge remains in the form of phase separation or gradual migration of the blended soft polymer or plasticizers. To simultaneously enhance the miscibility of the blends and toughness of 3D-printed parts, a triblock copolymer PLA-PEG-PLA was synthesized and blended with PLA in varying proportions (5, 10, 15, and 20 wt \%). Blending only 10-20 wt \% low molecular weight PLA-PEG-PLA into PLA yielded a miscible blend that showed a 45-fold increase in elongation at break and a 23-fold enhancement in toughness over neat PLA. Scanning electron microscopy (SEM) images of fractured cross sections revealed a brittle to ductile transition in 3D-printed PLA/PLA-PEG-PLA samples. Isothermal crystallization studies and data analysis using the Avrami equation showed an enhancement in the crystal growth rate and overall rate of crystallization. The blends achieved half of their crystallinity in approximately 3 min, a significant improvement over the 9 min required by PLA alone. This underscores the efficiency of our approach. This was also evident in the spherulite growth of 3D-printed PLA and mPLA blends when examined using polarized optical microscopy (POM). To the best of our knowledge, this is the first report exploring the use of blends that include PLA and low molecular weight PLA-PEG-PLA triblock copolymers for 3D printing applications.

}, keywords = {Crystallization, FFF 3D printing, PLA-PEG-PLA triblock copolymer, poly(lacticacid), toughness}, issn = {2637-6105}, doi = {10.1021/acsapm.4c00428}, author = {Kothavade, Premkumar and Yadav, Prashant and Gopal, Animesh and Pol, Harshawardhan and Kafi, Abdullah and Bateman, Stuart and Shanmuganathan, Kadhiravan} } @article {49266, title = {Entropy-driven reversible melting and recrystallization of layered hybrid perovskites}, journal = {SMALL}, volume = {20}, year = {2024}, month = {NOV}, type = {Journal Article}, keywords = {hybrid perovskites, photodetector, reversible melting}, issn = {1613-6810}, doi = {10.1002/smll.202406735}, author = {Rajput, Parikshit Kumar and Salunkhe, Parashurama and Sarma, Manmayuri and Basu, Meghasree and Gopal, Animesh and Joshi, Aprajita and Shingote, Ajinkya Sundarnath and Saha, Surajit and Rahman, Atikur and Nag, Angshuman} } @article {49267, title = {The ex situ exsolved exsolved Ni-Ru alloy from nickel-ruthenium co-doped SrFeO perovskite as a potential catalyst for C=C and C=O hydrogenation}, journal = {SUSTAINABLE ENERGY \& FUELS}, volume = {8}, year = {2024}, month = {JUN }, type = {Journal Article}, keywords = {LIQUID-PHASE HYDROGENATION, OXIDE FUEL-CELLS}, issn = {2398-4902}, doi = {10.1039/d4se00170b}, author = {Bhavisha, Meloth and Balamurugan, Sarkarainadar and Gopinath, Chinnakonda S. and Sakthivel, Ayyamperumal} } @article {49014, title = {Experimental and kinetic modelling studies for the design of fixed bed methanol reactor over CuZA catalyst}, journal = {Chemical Engineering Research Design }, volume = {205}, year = {2024}, month = {MAY}, pages = {79-90}, type = {Article}, abstract = {

Direct conversion of CO 2 via hydrogenation to value-added chemicals is a vital approach for utilising CO 2 emitted into the atmosphere. In this paper, a critical analysis of reaction kinetic modelling studies is explored in a fixed bed reactor to improve methanol yield for different H 2 to CO 2 ratios by simulating a lab-scale reactor for adiabatic and isothermal conditions. The feed inlet temperature and pressure variations are applied to study the effect of both configurations on methanol production. The results show that the isothermal configuration yields 2.76\% more methanol yield compared to the adiabatic reactor. The effect of H 2 to CO 2 molar ratios of 3, 6 and 9 on the performance of the catalyst and the influence of CO and CO 2 hydrogenation is investigated with model simulations. The overall methanol yield is increased from 19.03\% to 36.41\% with increase in H 2 to CO 2 molar ratio from 3 to 9. Experiments are performed using commercial copper-based catalyst for different temperatures of 210, 230 and 250 degrees C at a pressure of 40 bar for H 2 /CO 2 of 3 and GHSV of 720 h -1 as well as at optimal temperature of 250 degrees C and 50 bar with varying H 2 /CO 2 of 3, 6, 9 for 3 g and 6 g catalyst. The maximum methanol yield of 2.53\% and space time yield of 13.59 mg/g cat .h is obtained at H 2 /CO 2 ratio of 9.

}, keywords = {CO2 conversion, CuZA catalyst, H2 toCO2 molar ratio, Kinetic modelling, Methanol}, issn = {0263-8762}, doi = {10.1016/j.cherd.2024.03.032}, author = {Bagwan, Farahanaz M. and Dongapure, Pavan and Kulkarni, Amol A. and Vasireddy, Satyam Naidu} } @article {49240, title = {Exploring defect-engineered metal-organic frameworks with 1,2,4-triazolyl isophthalate and benzoate linkers}, journal = {INORGANIC CHEMISTRY}, volume = {63}, year = {2024}, month = {MAY }, pages = {10843-10853}, type = {Journal Article}, keywords = {Separation, spectroscopy, TRIAZOLYL}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.4c01589}, author = {Chetry, Sibo and Lukman, Muhammad Fernadi and Bon, Volodymyr and Warias, Rico and Fuhrmann, Daniel and Moellmer, Jens and Belder, Detlev and Gopinath, Chinnakonda S. and Kaskel, Stefan and Poeppl, Andreas and Krautscheid, Harald} } @article {49376, title = {Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID}, journal = {CrystEngComm}, volume = {27}, year = {2024}, month = {DEC}, pages = {138-145}, type = {Article}, abstract = {

Milrinone is a bipyridine phosphodiesterase (PDE) inhibitor of the second generation. It{\textquoteright}s a PDE-III antagonist that raises cAMP levels to support heart function and acts as a systemic vasodilator in chronic decongested cardiovascular illness. It is categorised as class II in the Biopharmaceutics Classification System (BCS), indicating that it exhibits poor aqueous solubility and high permeability. Three new cocrystals of the cardioprotective drug milrinone (MR) with two nutraceuticals, e.g. sesamol (SES) and resveratrol (RES), and an anti-inflammatory drug, e.g. niflumic acid (NIF), were successfully synthesised using mechanochemical and solution crystallisation techniques. Thermal analysis (DSC and TGA) and diffraction tools (PXRD and SCXRD) were used to obtain structural insights into all the cocrystals. Their crystal structures indicate that the dimeric interactions in MR are preserved in the crystal structures in addition to carboxylic acid/phenol \& ctdot;pyridine heterosynthons. Among the three synthesized molecular solids, MR.SES was more soluble than the native drug. The solubility of the cocrystals was correlated with polar surface contacts, the solubility of the coformer and melting points (inversely). We believe that the new MR.SES cocrystal offers a novel approach to enhance the drug{\textquoteright}s solubility, which may have a positive impact on its synergistic cardioprotective effects.

}, doi = {10.1039/d4ce00990h}, author = {Kenguva, Gowtham and Rekha Rout, Smruti and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu} } @article {49278, title = {Exploring the soft pinning effect in the dynamics and the structure-dynamics correlation in multicomponent supercooled liquids}, journal = {Journal of Chemical Physics}, volume = {161}, year = {2024}, month = {OCT}, pages = {154501}, type = {Article}, abstract = {

We study multicomponent liquids by increasing the mass of 15\% of the particles in a binary Kob-Andersen model. We find that the heavy particles have dual effects on the lighter particles. At higher temperatures, there is a significant decoupling of the dynamics between heavier and lighter particles, with the former resembling a pinned particle to the latter. The dynamics of the lighter particles slow down due to the excluded volume around the nearly immobile heavier particles. Conversely, at lower temperatures, there is a coupling between the dynamics of the heavier and lighter particles. The heavier particles{\textquoteright} mass slows down the dynamics of both types of particles. This makes the soft pinning effect of the heavy particles questionable in this regime. We demonstrate that as the mass of the heavy particles increases, the coupling of the dynamics between the lighter and heavier particles weakens. Consequently, the heavier the mass of the heavy particles, the more effectively they act as soft pinning centers in both high and low-temperature regimes. A key finding is that akin to the pinned system, the self-dynamics and collective dynamics of the lighter particles decouple from each other as the mass of the heavy particles has a more pronounced impact on the latter. We analyze the structure-dynamics correlation by considering the system under the binary and modified quaternary framework, the latter describing the pinned system. Our findings indicate that whenever the heavy mass particles function as soft pinning centers, the modified quaternary framework predicts a higher correlation.

}, issn = {0021-9606}, doi = {10.1063/5.0230932}, author = {Anwar, Ehtesham and Patel, Palak and Sharma, Mohit and Bhattacharyya, Sarika Maitra} } @article {49372, title = {Exploring thermocatalytic pyrolysis to derive sustainable chemical intermediates from plastic waste; role of temperature, catalyst, and reactor conditions}, journal = {Journal of the Indian Institute of Science}, volume = {104}, year = {2024}, month = {APR}, pages = {383-394}, type = {Review}, abstract = {

Plastic waste is a growing concern globally on account of the increasing use of plastic worldwide, compounded by single-use applications, poor waste collection and management practices, and its consequent leakage into the environment. In addition, plastics are derived from non-renewable fossil resources, and their growing demand is also partly responsible for greenhouse gas emissions and climate change. The aim of this paper is to explore the potential of plastic waste as a material resource, and thermocatalytic pyrolysis as a recycling process, to produce aliphatic and aromatic hydrocarbons, which are important chemical intermediates for various industries. We show that plastic pyrolysis can achieve a high yield of liquid hydrocarbons (similar to 80\%) with a suitable distribution of aliphatic and aromatic compounds, by using different pyrolysis conditions and a catalyst. Specifically, this paper demonstrates the possibility of deriving two key classes of hydrocarbons, i.e., aliphatic (C10-C20 hydrocarbons) and aromatic hydrocarbons (xylene, toluene and benzene derivatives) with a yield of similar to 80\% liquid hydrocarbons via catalytic pyrolysis. We also briefly discuss the challenges and opportunities, and the environmental and economic implications.

}, issn = {0970-4140}, doi = {10.1007/s41745-024-00447-3}, author = {Venkataraghavan, R. and Bhure, Arvind and Khan, Tufeil Sartaj and Shikare, Dipak and Devi, R. Nandini and Dhepe, Paresh Laxmikant} } @article {49064, title = {Extraction, characterization, and life cycle assessment of nanosilica from millet husk: sustainable alternative with low environmental impact}, journal = {Journal of Cleaner Production }, volume = {442}, year = {2024}, month = {FEB}, pages = {140924}, type = {Article}, abstract = {

Eco-friendly approaches for silica production are highly researched to respond increasing industrial demand for bio-nanofillers. Herein, nanosilica of 10-20 nm with mesoporosity was obtained through a mild oxalic acid pre-treatment of millet husk, followed by calcination at 700 degrees C for 2 h. Compared with commercial precipitated silica (CS) and millet husk ash (MHA) directly obtained by calcination of the husk, the pre-treated silica (MHS) had higher purity, revealed using EDX spectroscopy. Moreover, FTIR and Si-29 NMR showed a higher condensation degree in MHS with 73\% of Q4 siloxane bonds vs 4\% in MHA. The release of the metal and organic impurities from the husk also allows to reduce the crystallinity of MHS, and to increase the specific surface area from 82 m(2)/g in MHA to 238 m(2)/g in MHS. The type II N-2 adsorption-desorption isotherms of MHA and MHS indicate aggregates of non-porous silica particles. MHS also demonstrated remarkable thermal resilience. According to the LCA analysis, MHS has a 40\% lower impact on global warming, a 38\% lower impact on human carcinogenic toxicity, and a 38\% lower impact on terrestrial acidification compared to rice husk nanosilica. This research thus addresses sustainability challenges by repurposing millet husks, which are readily available due to continuous millet cultivation, particularly in India. By reducing the ecological impact of husk disposal through burning, this study offers an economically viable technology for high-purity silica production, aligning with global efforts to combat climate change and promote sustainable practices.

}, keywords = {Life cycle assessment, Millet husk, Nanosilica, Oxalic acid}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2024.140924}, author = {Dominic, C. D. Midhun and Rosa, Derval dos Santos and Barbosa, Rennan Felix da Silva and Anagha, O. V. and Neenu, K. V. and Begum, P. M. Sabura and Kumar, V. Aswathy and Parameswaranpillai, Jyotishkumar and Siriwong, Chomsri and Ajithkumar, T. G. and Shelke, Ankita and Pasc, Andreea} } @article {49327, title = {Extrusion 3D printing of intrinsically fluorescent thermoplastic polyimide: revealing an undisclosed potential}, journal = {POLYMERS}, volume = {16}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {Additive manufacturing, functional extrusion, high-performance polymers, thermoplastic polyimide}, doi = {10.3390/polym16192798}, author = {Kothavade, Premkumar and Kafi, Abdullah and Dekiwadia, Chaitali and Kumar, Viksit and Sukumaran, Santhosh Babu and Shanmuganathan, Kadhiravan and Bateman, Stuart} } @article {49115, title = {Facile chemical synthesis of BaO:MgO nanorods for designing distinctive solid-state asymmetric supercapacitor device with activated carbon}, journal = {Journal of Energy Storage}, volume = {84}, year = {2024}, month = {APR}, pages = {110776}, type = {Article}, abstract = {

The successive ionic layer adsorption and reaction (SILAR) technique was adapted to produce the interconnected complex network of BaO:MgO nanorods on a flexible stainless-steel (SS) substrate surface. The phase and surface morphology of the BaO:MgO electrode were examined from the X-ray diffraction and scanning electron microscopy measurements, respectively, which endowed electrochemical specific capacitance (SC) of 528.77 F/g at a 2 mV/s scan rate with great rate capability and cycling performance of 94.33 \% over 5000 cyclic voltammetry cycles. Fabricated BaO:MgO//AC asymmetric solid-state supercapacitor device, using polyvinyl alcohol and potassium hydroxide gel as an electrolyte, demonstrated distinctive energy storage performance, i.e., a specific capacitance (SC) of 259.07 F/g with an energy density of 57.27 Wh/kg and a power density of 2.34 kW/kg at a current density of 4 mA/cm(2). The results demonstrated the facile method for synthesizing a spherical nanorod network of BaO:MgO and made them promising electrode materials for energy storage applications. The use of a solid-state supercapacitor device to illuminate an LED demonstrated the commercial feasibility of both the materials utilized and the design type.

}, keywords = {activated carbon, ASSD device, BaO:MgO, SILAR, supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2024.110776}, author = {Bobade, Rushikesh G. and Dabke, Niteen B. and Shaikh, Shoyebmohamad F. and Lokhande, Balkrushna J. and Mane, Rajaram S. and Ambare, Revanappa C.} } @article {48987, title = {Facile microwave synthesis of Zinc Ferrite@NCDs for photocatalytic degradation of fluoroquinolone antibiotics}, journal = {Materials Chemistry and Physics}, volume = {314}, year = {2024}, month = {FEB}, type = {Article}, abstract = {

Zinc ferrite (ZnFe2O4) composites have attracted growing interest in photocatalytic water purification. Herein, the hybrids of zinc ferrite and nitrogen-doped carbon dots (ZnF@x\%NCDs) were synthesized via facile micro-wave synthesis. X-ray diffraction and Raman characterization confirm the formation of the spinel structure, and elemental composition has been analyzed by X-ray photoelectron spectroscopy. The photocatalytic activity of ZnF@x\%NCDs was evaluated via the decomposition of ciprofloxacin and norfloxacin under visible light illumination. We noted that 20 \% weight loading of NCDs led to the highest (similar to 79.2 \%) ciprofloxacin (CIP) degradation. Diffuse reflectance measurements demonstrate the reduction of the band gap in composites ZnF@20\%NCDs (1.91 eV) compared with bare ZnF (2.03 eV); moreover, the hybridization of zinc ferrites with NCDs results in enhanced photocurrent density and surface area. The effect of experimental parameters, including the role of photocatalyst dosage, pH value, and initial concentration of pollutants on the degradation of CIP, have also been investigated.

}, keywords = {Carbon dots, Ciprofloxacin degradation, Norfloxacin degradation, Photocatalysis, Zinc Ferrite}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2023.128823}, author = {Kaushal, Neha and Sarraf, Sonu and Basu, Aviru Kumar and Mishra, Sunita and Saha, Avishek} } @article {49308, title = {F-doped nickel cobalt oxide-carbon composite electrocatalysts paired with mechanically robust anion-conducting chitosan membranes for flexible and rechargeable zinc-air batteries}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {AUG}, pages = {7037-7054}, type = {Article}, abstract = {

High-performing, cost-effective electrocatalysts and anion-conducting polymer electrolyte membranes are essential for realizing commercially affordable zinc-air batteries (ZABs). In this context, the present work deals with the development of a bifunctional electrocatalyst and an anion-exchange quasi-solid-state electrolyte membrane (based on quaternary ammonium group-grafted chitosan) for demonstrating flexible and rechargeable ZABs. The electrocatalyst composed of NiCoO2 nanoparticles supported on a carbon framework showcased substantial advancements in its ability to catalyze both oxygen reduction and evolution reactions (ORR and OER) due to the heteroatom doping by fluorine. For instance, the optimized electrocatalyst (F-NCO-ADC-600) exhibited an onset potential of 0.96 V vs RHE with a half-wave potential of 0.83 V vs RHE for ORR, a comparable performance with the state-of-the-art Pt/C (1.0 and 0.86 V vs RHE, respectively). On a similar note, the same catalyst also displayed an overpotential of 340 mV vs RHE for OER at a current density of 20 mA cm(-2), close to that of a standard RuO2 catalyst (337 mV vs RHE). In the context of polymer electrolytes, the quaternary ammonium-group-grafted chitosan membrane depicted superior ionic conductivity, liquid electrolyte uptake, and mechanical properties, thereby proving to be an efficient anion-conducting polymer electrolyte membrane. The realistic application of the developed electrocatalyst and the polymer electrolyte membrane is demonstrated in the ZAB prototypes. The assembled rechargeable ZAB (RZAB) delivered a power density of 207 mW cm(-2) and maintained high-rate capability and cycling stability, notably in a flexible configuration (f-RZABs). Thus, this work provides a strategy for the rational design of anion-exchange membranes and bifunctional electrocatalysts for f-RZABs.

}, keywords = {anion-conducting polymer electrolytemembrane, F-doping, flexible and rechargeable zinc-air batteries(f-RZABs), oxygen evolution reaction(OER), oxygen reduction reaction (ORR)}, issn = {2574-0962}, doi = {10.1021/acsaem.4c01261}, author = {Kurian, Maria and Ranganath, Suresha P. and Vijayakumar, Vidyanand and Sivadasan, Sneha and Kurian, Rachna Maria and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {49657, title = {Feedback driven autonomous cycles of assembly and disassembly from minimal building blocks}, journal = {Nature Communications}, volume = {15}, year = {2024}, month = {NOV}, pages = {9980}, type = {Article}, abstract = {

The construction of complex systems by simple chemicals that can display emergent network dynamics might contribute to our understanding of complex behavior from simple organic reactions. Here we design single amino acid/dipeptide-based systems that exhibit multiple periodic changes of (dis)assembly under non-equilibrium conditions in closed system, importantly in the absence of evolved biocatalysts. The two-component based building block exploits pH driven non-covalent assembly and time-delayed accelerated catalysis from self-assembled state to install orthogonal feedback loops with a single batch of reactants. Mathematical modelling of the reaction network establishes that the oscillations are transient for this network structure and helps to predict the relative contribution of the feedback loop to the ability of the system to exhibit such transient oscillation. Such autonomous systems with purely synthetic molecules are the starting point that can enable the design of active materials with emergent properties. The study of the network dynamics of complex systems formed by simple chemicals can contribute to our understanding of complex behavior from simple organic reactions. Here, built on the minimal building blocks, the authors describe a system with periodic (dis)assembly utilizing feedback loops controlled by time-delayed catalysis and pH-driven assembly.

}, doi = {10.1038/s41467-024-54197-y}, author = {Reja, Antara and Jha, Sangam and Sreejan, Ashley and Pal, Sumit and Bal, Subhajit and Gadgil, Chetan and Das, Dibyendu} } @article {49103, title = {Fictibacillus fluitans sp. nov., isolated from freshwater pond}, journal = {Archives of Microbiology }, volume = {206}, year = {2024}, month = {FEB}, pages = {70}, type = {Article}, abstract = {

A Gram-positive, aerobic, rod-shaped, spore-forming bacterium, designated NE201(T), was isolated from a freshwater pond in Village Nerur, India. Growth was observed in the range of 15-45 degrees C temperature with optimum at 30 degrees C, pH range of 5-9 (optimum at 7.0), and at concentrations of NaCl ranging between 0 and 14\% (optimum 0\%, w/v). The 16S rRNA gene sequence showed the highest similarity with Fictibacillus enclensis NIO-1003(T) (JF893461) at 99.01\% followed by F. rigui WPCB074(T) (EU939689) at 98.9\% and F. solisalsi CGMCC 1.6854(T) (EU046268) at 98.66\%. The digital DNA-DNA hybridization (dDDH) and orthoANI values for strain NE201(T) against F. enclensis NIO-1003(T) (GCA_900094955.1) were 33.7\% and 87.68\%, respectively. The phylogenetic analysis based on the 16S rRNA gene, 92 core genes derived from the genome, and 20 proteins involving over 20,236 amino acid positions revealed the distinct phylogenetic position of strain NE201(T) and the formation of a clearly defined monophyletic clade with F. enclensis. The strain NE201(T) showed a unique carbon utilization and assimilation pattern that differentiated it from F. enclensis NIO-1003(T). The major fatty acids were anteiso -C-15:0 (51.42\%) and iso-C-15:0 (18.88\%). The major polar lipids were phosphatidylglycerol (PG), phosphatidylethanolamine (PE, and diphosphatidylglycerol (DPG). The antiSMASH analyzed genome of NE201(T) highlighted its diverse biosynthetic potential, unveiling regions associated with terpene, non-ribosomal peptide synthetases (NRPS), lassopeptides, NI-siderophores, lanthipeptides (LAP), and Type 3 Polyketide Synthases (T3PKS). The overall phenotypic, genotypic, and chemotaxonomic characters strongly suggested that the strain NE201(T) represents a novel species of genus Fictibacillus for which the name Fictibacillus fluitans sp. nov. is proposed. The type strain is NE201(T) (= MCC 5285 = JCM 36474).

}, keywords = {Bacillus, Fictibacillus, Freshwater bacteria}, issn = {0302-8933}, doi = {10.1007/s00203-023-03794-4}, author = {Yadav, Amit and Maurya, Akanksha and Bhavsar, Yash and Teware, Ruchi and Bhatt, Agrima and DaCosta, Elaine and Thorat, Vipool and Kirdat, Kiran and Dastager, Syed G.} } @article {49078, title = {Flow and clogging behavior of a mixture of particles in a silo}, journal = {Physics of Fluids }, volume = {36}, year = {2024}, month = {MAY}, type = {Article}, abstract = {

We investigated the clogging behavior observed during the flow of aspherical particles from a silo in the presence of spherical particles of different sizes and proportions using flow visualization experiments and discrete element method simulations. The size of the avalanche, essentially the tendency of clogging, exhibits non-monotonic dependence on the spherical particle volume fraction. For small enough content of spherical particles, the clogging tendency intensifies, whereas it reduces rapidly for high enough spherical particle fractions, with a minimum in between. The non-monotonic behavior is observed to persist over for different spherical particle sizes. The overall behavior is shown to arise due to competing effects between the localized total particle fraction influencing avalanche strength and mean size of the particles exiting the silo, influencing the probability of arch formation.

}, issn = {1070-6631}, doi = {10.1063/5.0205141}, author = {Bhure, Sukhada C. and Doshi, Pankaj and Orpe, Ashish V.} } @article {49102, title = {Genome sequencing and protein modeling unraveled the 2AP biosynthesis in Bacillus cereus DB25}, journal = {International Journal of Food Microbiology}, volume = {413}, year = {2024}, month = {MAR }, pages = {110600}, type = {Article}, abstract = {

2-Acetyl-1-pyrroline (2AP) is an important and major flavor aroma compound responsible for the fragrance of basmati rice, cheese, wine, and several other food products. Biosynthesis of 2AP in aromatic rice and a few other plant species is associated with a recessive Betaine aldehyde dehydrogenase 2 (BADH2) gene. However, the literature is scant on the relationship between the functional BADH2 gene and 2AP biosynthesis in prokaryotic systems. Therefore, in the present study, we aimed to explore the functionality of the BADH2 gene for 2AP biosynthesis in 2AP synthesizing rice rhizobacterial isolate Bacillus cereus DB25 isolated from the rhizosphere of basmati rice (Oryza sativa L.). Full-length BcBADH2 sequence was obtained through whole genome sequencing (WGS) and further confirmed through traditional PCR and Sanger sequencing. Then the functionality of the BcBADH2 gene was evaluated in-silico through bioinformatics analysis and protein docking studies and further experimentally validated through enzyme assay. The sequencing and bioinformatics analysis results revealed a full-length 1485 bp BcBADH2 coding sequence without any deletion or premature stop codons. Full-length BcBADH2 was found to encode a fully functional protein of 54.08 kDa with pI of 5.22 and showed the presence of the conserved amino acids responsible for enzyme activity. The docking studies confirmed a good affinity between the protein and its substrate whereas the presence of BcBADH2 enzyme activity confirmed the functionality of BADH2 enzyme in B. cereus DB25. In conclusion, the findings of the present study suggest that B. cereus DB25 is able to synthesize 2AP despite a functional BADH2 gene and there may be a different molecular mechanism responsible for 2AP biosynthesis in bacterial systems, unlike that found in aromatic rice and other eukaryotic plant species.

}, keywords = {2-Acetyl-1-pyrroline, Basmati rice flavor, Betaine aldehyde dehydrogenase 2, Protein-ligand docking, Rhizobacteria, Whole-genome sequence}, issn = {0168-1605}, doi = {10.1016/j.ijfoodmicro.2024.110600}, author = {Dhondge, Harshal V. and Barvkar, Vitthal T. and Dastager, Syed G. and Dharne, Mahesh S. and Rajput, Vinay and Pable, Anupama A. and Henry, Robert J. and Nadaf, Altafhusain B.} } @article {49656, title = {Heterogeneous acid-base organocatalyst for cascade deacetalisation-knoevenagel condensations}, journal = {ChemSusChem}, volume = {17}, year = {2024}, month = {DEC}, pages = {e202400866}, type = {Article}, abstract = {

Multifunctional heterogeneous catalysts are an effective strategy to drive chemical cascades, with attendant time, resource and cost efficiencies by eliminating unit operations arising in normal multistep processes. Despite advances in the design of such catalysts, the fabrication of proximate, chemically antagonistic active sites remains a challenge for inorganic materials science. Hydrogen-bonded organocatalysts offer new opportunities for the molecular level design of multifunctional structures capable of stabilising antagonistic active sites. We report the catalytic application of a charge-assisted, hydrogen-bonded crystalline material, bis(melaminium)adipate (BMA), synthesised from melamine and adipic acid, which possesses proximate acid-base sites. BMA exhibits high activity for the cascade deacetalisation-Knoevenagel condensation of dimethyl acetals to form benzylidenemalononitriles under mild conditions in water; BMA is amenable to large-scale manufacture and recycling with minimal deactivation. Computational modelling of the melaminium cation in protonated BMA explains the observed catalytic reactivity, and identifies the first demethoxylation step as rate-limiting, which is in good agreement with time-dependent 1H NMR and kinetic experiments. A broad substrate scope for the cascade transformation of aromatic dimethyl acetals is demonstrated.

}, keywords = {Antagonistic acid-base sites, Charge-assisted hydrogen bonding, Chemical cascade, organocatalysis, Sustainable catalysis}, issn = {1864-5631}, doi = {10.1002/cssc.202400866}, author = {Chhetri, Ashis and Maibam, Ashakiran and Maniam, Subashani and BabaRao, Ravichandar and Wilson, Karen and Lee, Adam F. and Mitra, Joyee} } @article {49111, title = {Hexagonal boron nitride quantum dots embedded on layer-by-layer films for peroxidase-assisted colorimetric detection of β-galactosidase producing pathogens}, journal = {ACS Applied Materials and Interfaces}, volume = {16}, year = {2024}, month = {MAY }, pages = {26870-26885}, type = {Article}, abstract = {

Pathogen detection has become a major research area all over the world for water quality surveillance and microbial risk assessment. Therefore, designing simple and sensitive detection kits plays a key role in envisaging and evaluating the risk of disease outbreaks and providing quality healthcare settings. Herein, we have designed a facile and low-cost colorimetric sensing strategy for the selective and sensitive determination of beta-galactosidase producing pathogens. The hexagonal boron nitride quantum dots (h-BN QDs) were established as a nanozyme that showed prominent peroxidase-like activity, which catalyzes 3,3 {\textquoteleft},5,5 {\textquoteleft}-tetramethylbenzidine (TMB) oxidation by H2O2. The h-BN QDs were embedded on a layer-by-layer assembled agarose biopolymer. The beta-galactosidase enzyme partially degrades beta-1,4 glycosidic bonds of agarose polymer, resulting in accessibility of h-BN QDs on the solid surface. This assay can be conveniently conducted and analyzed by monitoring the blue color formation due to TMB oxidation within 30 min. The nanocomposite was stable for more than 90 days and was showing TMB oxidation after incubating it with Escherichia coli (E. coli). The limit of detection was calculated to be 1.8 x 10(6) and 1.5 x 10(6) CFU/mL for E. coli and Klebsiella pneumonia (K. pneumonia), respectively. Furthermore, this novel sensing approach is an attractive platform that was successfully applied to detect E. coli in spiked water samples and other food products with good accuracy, indicating its practical applicability for the detection of pathogens in real samples.

}, keywords = {biopolymer, colorimetric, h-BN quantum dots, nanozyme, pathogens, Sensor}, issn = {1944-8244}, doi = {10.1021/acsami.4c01565}, author = {Majumdar, Sristi and Gogoi, Devipriya and Boruah, Purna K. and Thakur, Ashutosh and Sarmah, Priyakhee and Gogoi, Parishmita and Sarkar, Sanjib and Pachani, Priyakshi and Manna, Prasenjit and Saikia, Ratul and Chaturvedi, Vikash and Shelke, Manjusha V. and Das, Manash R.} } @article {49069, title = {Highly electrostrictive salt cocrystal and the piezoelectric nanogenerator application of its 3D-printed polymer composite}, journal = {ACS Applied Materials and Interfaces }, volume = {16}, year = {2024}, month = {MAY}, pages = {26406-26416}, type = {Article}, abstract = {

Ionic cocrystals with hydrogen bonding can form exciting materials with enhanced optical and electronic properties. We present a highly moisture-stable ammonium salt cocrystal [CH3C6H4CH(CH3)NH2][CH3C6H4CH(CH3)NH3][PF6] ((p-TEA)(p-TEAH)PF6) crystallizing in the polar monoclinic C2 space group. The asymmetry in (p-TEA)(p-TEAH)PF6 was induced by its chiral substituents, while the polar order and structural stability were achieved by using the octahedral PF6- anion and the consequent formation of salt cocrystal. The ferroelectric properties of (p-TEA)(p-TEAH)PF6 were confirmed through P-E loop measurements. Piezoresponse force microscopy (PFM) enabled the visualization of its domain structure with characteristic {\textquoteleft}{\textquoteleft}butterfly{\textquoteright}{\textquoteright} and hysteresis loops associated with ferro- and piezoelectric properties. Notably, (p-TEA)(p-TEAH)PF6 exhibits a large electrostrictive coefficient (Q(33)) value of 2.02 m(4) C-2, higher than those found for ceramic-based materials and comparable to that of polyvinylidene difluoride. Furthermore, the composite films of (p-TEA)(p-TEAH)PF6 with polycaprolactone (PCL) polymer and its gyroid-shaped 3D-printed composite scaled-up device, 3DP-Gy, were prepared and evaluated for piezoelectric energy-harvesting functionality. A high output voltage of 22.8 V and a power density of 118.5 mu W cm(-3) have been recorded for the 3DP-Gy device. Remarkably, no loss in voltage outputs was observed for the (p-TEA)(p-TEAH)PF6 devices even after exposure to 99\% relative humidity, showcasing their utility under extremely humid conditions.

}, keywords = {3D printing, cocrystals, energy harvesting, ferroelectricity, Piezoelectricity}, issn = {1944-8244}, doi = {10.1021/acsami.4c03349}, author = {Sahoo, Supriya and Panday, Rishukumar and Kothavade, Premkumar and Sharma, Vijay Bhan and Sowmiyanarayanan, Anirudh and Praveenkumar, Balu and Zareba, Jan K. and Kabra, Dinesh and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {49309, title = {Highly selective C-N and C-S dual functionalization of 1,3-dicarbonyl derivatives using TBHP as an oxidant}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {JUN}, pages = {9371-9380}, type = {Article}, abstract = {

A direct electrosynthesis/photocatalyst-free, atom-economical, and efficient method for the selective synthesis of (E)-3-amino-2-thiocyanato-alpha,beta-unsaturated carbonyl compounds is described through a given protocol. The present approach features the use of inexpensive ammonium thiocyanate to achieve dual functionalization of 1,3-dicarbonyl compounds using TBHP as an oxidant, providing a rapid and practical route to the selective formation of both C-N and C-S bonds via a radical process. This method offers a broad substrate scope with excellent yield and allows for further exploration of the products to construct heterocyclic compounds and other functionalities.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c00612}, author = {Bagad, Pooja K. and Darole, Ratanamala S. and Krishna, G. Rama and Senthilkumar, Beeran} } @article {49048, title = {I2-catalyzed three-component synthesis of 3-selenylated pyrazolo[1,5-a]pyrimidines}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {MAY }, pages = {9480-9485}, type = {Article}, abstract = {

A straightforward protocol has been developed to access 3-selenylated pyrazolo[1,5-a]pyrimidines from readily available amino pyrazoles, chalcones, and diaryl/dialkyl diselenides. This I-2-catalyzed methodology is highly useful for synthesizing a wide range of functionalized 3-(aryl/alkylselanyl)pyrazolo[1,5-a]pyrimidine derivatives. Mechanistic investigation disclosed that iodine catalysis is very important in both the cyclization process as well as in the C-H selenylation step. Moreover, the developed reaction conditions are also applicable for the cyclization of amino pyrazole with enaminone followed by C-H selenylation in one pot. The use of simple reagents and catalyst, wide substrate scope, mild and metal-free reaction conditions, and practical applicability are the attractive facets of this approach.

}, issn = {1144-0546}, doi = {10.1039/d3nj05847f}, author = {Choudhuri, Tathagata and Paul, Suvam and Sikdar, Papiya and Das, Sourav and Sawant, Sanghapal D. and Bagdi, Avik Kumar} } @article {49464, title = {Immunogenicity of SARS-CoV-2 vaccines BBV152 (COVAXIN{\textregistered}) and ChAdOx1 nCoV-19 (COVISHIELD{\texttrademark}) in seronegative and seropositive individuals in India: a multicentre, nonrandomised observational study}, journal = {Lancet Regional Health - Southeast Asia}, volume = {22}, year = {2024}, month = {MAR}, type = {Article}, abstract = {

Background:\ There are limited global data on head-to-head comparisons of vaccine platforms assessing both humoral and cellular immune responses, stratified by pre-vaccination serostatus. The COVID-19 vaccination drive for the Indian population in the age group 18-45 years began in April 2021 when seropositivity rates in the general population were rising due to the delta wave of COVID-19 pandemic during April-May 2021.

Methods:\ Between June 30, 2021, and Jan 28, 2022, we enrolled 691 participants in the age group 18-45 years across four clinical sites in India. In this non-randomised and laboratory blinded study, participants received either two doses of Covaxin{\textregistered} (4 weeks apart) or two doses of Covishield{\texttrademark} (12 weeks apart) as per the national vaccination policy. The primary outcome was the seroconversion rate and the geometric mean titre (GMT) of antibodies against the SARS-CoV-2 spike and nucleocapsid proteins post two doses. The secondary outcome was the frequency of cellular immune responses pre- and post-vaccination.

Findings:\ When compared to pre-vaccination baseline, both vaccines elicited statistically significant seroconversion and binding antibody levels in both seronegative and seropositive individuals. In the per-protocol cohort, Covishield{\texttrademark} elicited higher antibody responses than Covaxin{\textregistered} as measured by seroconversion rate (98.3\% vs 74.4\%, p \< 0.0001 in seronegative individuals; 91.7\% vs 66.9\%, p \< 0.0001 in seropositive individuals) as well as by anti-spike antibody levels against the ancestral strain (GMT 1272.1 vs 75.4 binding antibody units/ml [BAU/ml], p \< 0.0001 in seronegative individuals; 2089.07 vs 585.7 BAU/ml, p \< 0.0001 in seropositive individuals). As participants at all clinical sites were not recruited at the same time, site-specific immunogenicity was impacted by the timing of vaccination relative to the delta and omicron waves. Surrogate neutralising antibody responses against variants-of-concern including delta and omicron was higher in Covishield{\texttrademark} recipients than in Covaxin{\textregistered} recipients; and in seropositive than in seronegative individuals after both vaccination and asymptomatic infection (omicron variant). T cell responses are reported from only one of the four site cohorts where the vaccination schedule preceded the omicron wave. In seronegative individuals, Covishield{\texttrademark} elicited both CD4+ and CD8+ spike-specific cytokine-producing T cells whereas Covaxin{\textregistered} elicited mainly CD4+ spike-specific T cells. Neither vaccine showed significant post-vaccination expansion of spike-specific T cells in seropositive individuals.

}, doi = {10.1016/j.lansea.2024.100361.}, author = {Asokan, Mangaiarkarasi S. and Joan, Roshni Florina and Babji, Sudhir and Dayma, Girish and Nadukkandy, Prajitha and Subrahmanyam, Vinutha and Pandey, Archana and Malagi, Girish and Arya, Pooja and Mahajan, Vibhuti and Bhavikatti, Jayateerth and Pawar, Ketakee and Thorat, Aishwarya and Shah, Priyanki and Goud, Ramakrishna B. and Roy, Bishnudeo and Rajukutty, Shon and Immanuel, Sushil and Agarwal,Dhiraj and Saha, Sankhanil and Shivaraj, Akshatha and Panikulam, Patricia and Shome, Rajeshwari and Gulzar, Shah-E-Jahan and Sharma, Anusmrithi U. and Naik, Ajinkya and Talashi, Shruti and Belekar, Madhuri and Yadav, Ritu and Khude, Poornima and V, Mamatha and Shivalingaiah, Sudarshan and Deshmukh, Urmila and Bhise, Chinmayee and Joshi, Manjiri and Inbaraj, Leeberk Raja and Chandrasingh, Sindhulina and Ghose, Aurnab and Jamora, Colin and Karumbati, Anandi S. and Sundaramurthy, Varadharajan and Johnson, Avita and Ramesh, Naveen and Chetan, Nirutha and Parthiban, Chaitra and Ahmed, Asma and Rakshit, Srabanti and Adiga, Vasista and D{\textquoteright}souza, George and Rale, Vinay and George, Carolin Elizabeth and John, Jacob and Kawade, Anand and Chaturvedi, Akanksha and Raghunathan, Anu and Dias, Mary and Bhosale, Anand and Raghu, Padinjat and Shashidhara, L. S. and yakarnam, Annapurna V. and Bal, Vineeta and Kang, Gagandeep and Mayor, Satyajit} } @article {49264, title = {Influence of deposition potential on electrodeposited bismuth-copper oxide electrodes for asymmetric supercapacitor}, journal = {BATTERIES \& SUPERCAPS}, volume = {7}, year = {2024}, month = {JUN}, type = {Journal Article}, keywords = {Bi2CuO4, Deposition Potential, Electrodeposition, supercapacitor, thin film}, doi = {10.1002/batt.202400163}, author = {Bobade, Rushikesh G. and Dabke, Niteen B. and Shaikh, Shoyebmohamad F. and Al-Enizi, Abdullah M. and Pandit, Bidhan and Lokhande, Balkrishna J. and Ambare, Revanappa C.} } @article {49221, title = {Interface-centric strategies in kesterite solar cells: addressing challenges, solutions, and future directions for efficient solar-harvesting technologies}, journal = {SMALL}, volume = {20}, year = {2024}, month = {DEC}, type = {Review}, keywords = {band engineering, Defects, interface loss mechanism, kesterites, recombination control, solar energy}, issn = {1613-6810}, doi = {10.1002/smll.202402048}, author = {Jagadish, Kusuma and Rahane, Ganesh K. and Kumar, Boddeda Sai and Borkar, Durgesh R. and Chordiya, Kalyani and Kavanagh, Sean R. and Roy, Anurag and Debnath, Tushar and Kolekar, Sadhu and Kahaly, Mousumi Upadhyay and Mali, Sawanta S. and Pal, Shovon and Gasparini, Nicola and Dubal, Deepak P. and Rondiya, Sachin R.} } @article {49273, title = {Interlayer space engineering-induced pseudocapacitive zinc-ion storage in holey graphene oxide-bearing vertically oriented MoS2 nano-wall array cathode for aqueous rechargeable Zn metal batteries}, journal = {Small}, volume = {20}, year = {2024}, month = {DEC}, type = {Article}, abstract = {

Transition metal dichalcogenides, particularly MoS2, are acknowledged as a promising cathode material for aqueous rechargeable zinc metal batteries (ARZMBs). Nevertheless, its lack of hydrophilicity, poor electrical conductivity, significant restacking, and restricted interlayer spacing translate into inadequate capacity and rate performance. Herein, the unique porous structure and additional functional groups present in holey graphene oxide (hGO) are taken advantage of to dictate the vertical growth pattern of oxygen-doped MoS2 nanowalls (O-MoS2/NW) over the hGO surface. Compared to conventional graphene oxide (GO), the presence of nano-pores in hGO facilitates the homogeneous dispersion of Mo precursors and provides stronger interaction sites, promoting the uniform vertical alignment of O-MoS2/NW. The synergistic interaction between O-MoS2-NW and hGO translates to enhanced electron conductivity, efficient electrolyte penetration, enhanced interlayer spacing, reduced restacking, and enhanced surface area. As a consequence of precise control of various factors that decide the overall battery performance, a high discharge capacity (227 mAh g(-1) at 100 mA g(-1)) cathode material with significantly lower charge transfer resistance (66 Omega) compared to pristine O-MoS2 (153 Omega) is developed. These findings underscore the potential of hGO as a multifunctional platform for nanoengineering high-performance cathode materials for the next generation of efficient and durable ARZMBs.

}, keywords = {aqueous rechargeable zinc metal battery, holey graphene oxide, hydrophilicity tuning, interlayer space engineering, oxygen-doped MoS2, transition metal dichalcogenide, vertical nanowall}, issn = {1613-6810}, doi = {10.1002/smll.202406926}, author = {Babu, Athira and Dilwale, Swati and Kurungot, Sreekumar} } @article {49098, title = {Intertwining of localized (d) and delocalized (π) spins in magnetically frustrated two-dimensional metal-organic frameworks}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {FEB}, pages = {3675-3681}, type = {Article}, abstract = {

Two-dimensional metal-organic frameworks (2D MOFs) are emerging as a new class of multifunctional materials for diversified applications, although magnetic properties have not been widely explored. The metal ions and organic ligands in some of the 2D MOFs are arranged in the well-known Kagome lattice, leading to geometric spin frustration. Hence, such systems could be the potential candidates to exhibit an exotic quantum spin liquid (QSL) state, as was observed in Cu-3(HHTP)(2) (HHTP = hexahydroxytriphenylene), with no magnetic transition down to 38 mK. Hereto, we have investigated the spin intertwining in a bimetallic 2D MOF system, M-3(HHTP)(2) (M = Cu/Zn)(,) arising from the localized (d-electron) and delocalized (pi-electron) S = 1/2 spins from the Cu(II) ions and the HHTP radicals, respectively. The origin of the spin frustration (down to 5K) was critically examined by varying the metal composition in bimetallic systems, CuxZn3-x(HHTP)(2) (x = 1, 1.5, 2), containing both S = 1/2 and S = 0 spins. Additionally, to gain a deeper understanding, we studied the spin interaction in the pristine Zn-3(HHTP)(2) system containing only S = 0 Zn(II) ions. In view of the quantitative estimate of the localized and delocalized spins, the d-pi spin correlation appears essential in understanding the unusual magnetic and/or other physical properties of such hybrid organic-inorganic 2D crystalline solids

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03247}, author = {Ugale, Ajay and Ninawe, Pranay and Jain, Anil and Sangole, Mayur and Mandal, Rimpa and Singh, Kirandeep and Ballav, Nirmalya} } @article {49450, title = {Investigation of cathinone analogs targeting human dopamine transporter using molecular modeling}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2024}, month = {MAY}, type = {Article}, abstract = {

In a step towards understanding the structure{\textendash}property relationship among Synthetic Cathinones (SCs), a combined methodology based on Density Functional Theory (DFT), Administration, Distribution, Metabolism, Excretion, and Toxicity (ADMET) predictions, docking and molecular dynamics simulations have been applied to correlate physicochemical descriptors of various SCs to their biological activity. The results from DFT and molecular docking studies correlate well with each other explaining the biological activity trends of the studied SCs. Quantum mechanical descriptors viz. polarizability, electron affinity, ionization potential, chemical hardness, electronegativity, molecular electrostatic potential, and ion interaction studies unravel the distinguishingly reactive nature of Group D (pyrrolidine substituted) and Group E (methylenedioxy and pyrrolidine substituted) compounds. According to ADMET analysis, Group D and Group E molecules have a higher probability of permeating through the blood{\textendash}brain barrier. Molecular docking results indicate that Phe76, Ala77, Asp79, Val152, Tyr156, Phe320, and Phe326 constitute the binding pocket residues of hDAT in which the most active ligands MDPV, MDPBP, and MDPPP are bound. Finally, to validate the derived quantum chemical descriptors and docking results, Molecular Dynamics (MD) simulations are performed with homology-modelled hDAT (human dopamine transporter). The MD simulation results revealed that the majority of SCs remain stable within the hDAT protein{\textquoteright}s active sites via non-bonded interactions after 100 ns long simulations. The findings from DFT, ADMET analysis, molecular docking, and molecular dynamics simulation studies complement each other suggesting that pyrrolidine-substituted SCs (Group D and E), specifically, MPBP and PVN are proven potent SCs along with MDPV, validating various experimental observations.

}, doi = {https://doi.org/10.1080/07391102.2024.2335303}, author = {Shivankar, Bhavana R. and Bhandare, Vishwambhar Vishnu and Joshi, Krati and Patil. Vishal S. and Dhotare, Priyanka Shrikant and Sonawane, Kailas Dasharath and Krishnamurty, Sailaja} } @article {49073, title = {Investigation of structural and morphological insights of nanostructured layered double hydroxides: catalytic activity in aldol condensation}, journal = {Journal of Porous Materials }, volume = {31}, year = {2024}, month = {APR}, pages = {759-778}, type = {Article}, abstract = {

Layered double hydroxides (LDHs) materials finds extensive applications in numerous fields such as medical science, industrial sector, agriculture and food, catalysis, polymers, nanotechnology, etc. The LDHs properties (structural, textural, morphological, spectroscopic and theoretical insights) can be design for achieving required materials for particular application in scientific areas. In the current investigation, we have synthesized mesoporous nanostructured LDHs materials via microwave, sonication and stirring method. The nanostructured LDHs was scientifically characterized by various physico-chemical techniques like XRD, N2 sorption, TGA, solid state one-dimensional 27Al magic angle spinning NMR spectroscopy, XPS, Raman Spectroscopy, FT-IR, ICP-OES, Electron Microscopy (SEM, FE-SEM, TEM and HR-TEM), EDX, elemental analysis, etc. On the basis of experimental study, it can be evidently witnessed that nanostructured LDHs materials was formed with good crystalline mesoporous nature. Solid state 27Al NMR showed single and sharp 27Al NMR signal at chemical shift value of + 1.4 ppm, strongly suggesting the presence of octahedral (Oh) AlO6 coordination site in all as-synthesized LDHs. Microwave and sonication techniques furnishes regularly dispersed well-developed flower-shaped nanocrystals however, stirring method gives mostly agglomerated nano-sized platelets. The mechanistic insights for the fabrication of nanostructures LDHs via microwave, sonication and stirring process were also highlighted. The different LDHs materials were utilized in the aldol condensation reaction of furfural with acetone for understanding structure-activity correlation. Microwave and sonication methodologies can be further exploited for the synthesis of many other inorganic-organic nanocomposites materials with stable and good dispersion of nanocrystals in addition to desired morphology and catalytic activity.

}, keywords = {Aldol condensation, catalysis, Flower-shaped nanocrystals, layered double hydroxides, Microwave and sonication techniques, Nanostructured materials}, issn = {1380-2224}, doi = {10.1007/s10934-023-01545-w}, author = {Bhagat, Shailesh K. and Nagpure, Atul S. and Lanjewar, Mamata R. and Gode, Nilesh G. and Thakare, Sanjay R.} } @article {49368, title = {Ionic liquid assisted green synthesis of quinoxaline based bisspirooxindoles: anticancer evaluation and molecular dynamics}, journal = {CHEMISTRYSELECT}, volume = {9}, year = {2024}, month = {NOV}, pages = {e202403608}, type = {Journal Article}, keywords = {Cycloaddition, spirooxindoles}, issn = {2365-6549}, doi = {10.1002/slct.202403608}, author = {Kanchrana, Madhu and Krishna, Gamidi Rama and Dey, Biswajit and Pandey, Nandita and Guru, Santosh Kumar and Sangolkar, Akanksha Ashok and Pawar, Ravinder and Basavoju, Srinivas} } @article {49208, title = {La-Fe-O perovskite based gas sensors: recent advances and future challenges}, journal = {ACS OMEGA}, volume = {9}, year = {2024}, month = {JUL }, pages = {29994-30014}, type = {Review}, keywords = {ASSISTED SYNTHESIS, ETHANOL SENSING CHARACTERISTICS, LAFEO3 NANOPARTICLES}, issn = {2470-1343}, doi = {10.1021/acsomega.4c00334}, author = {Patil, Suraj S. and Babar, Bapuso M. and Nadargi, Digambar Y. and Shaikh, Faiyyaj I. and Nadargi, Jyoti D. and Sankapal, Babasaheb R. and Mulla, Imtiaz S. and Tamboli, Mohaseen S. and Truong, Nguyen Tam Nguyen and Suryavanshi, Sharad S.} } @article {49641, title = {LsBOS utilizes oxalyl-CoA produced by LsAAE3 to synthesize β-ODAP in grass pea}, journal = {Nature Communications}, volume = {15}, year = {2024}, month = {AUG}, pages = {6715}, type = {Article}, doi = {10.1038/s41467-024-50703-4}, author = {Goldsmith, Moshe and Avram, Liat and Brandis, Alexander and Mehlman, Tevie and Ben-Dor, Shifra and Peleg, Yoav and Ben-Zeev, Efrat and Barbole, Ranjit S. and Reich, Ziv} } @article {49095, title = {Mechanistic modeling of size exclusion chromatography-assisted in vitro refolding of the recombinant biosimilar teriparatide (PTH-34)}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {JAN }, pages = {3204-3216}, type = {Article}, abstract = {

In vitro protein refolding is one of the critical unit operations in manufacturing recombinant peptides expressed using Escherichia coli as host cells. This study is focused on designing size exclusion chromatography-assisted in vitro refolding process for biosimilar recombinant parathyroid hormone. Inclusion bodies (IBs) of recombinant parathyroid hormone were solubilized at higher pH, and in vitro refolding was performed using size exclusion chromatography. In the first part of the investigation, DoE-based empirical optimization was performed to achieve a higher refolding yield for a biosimilar recombinant parathyroid hormone. The effect of solubilized inclusion body (IB) feed volume, concentration of IBs, and residence time on in vitro refolding of recombinant teriparatide was studied using the Box-Behnken design. Size exclusion chromatography (SEC)-assisted in vitro refolding was performed at 8 C-degrees at pH 10.5 by using 20 mM Tris buffer. The maximum refolding yield of 98.12\% was achieved at feed volume (12.5\% of CV) and 20 mg/mL inclusion body (IB) concentration with a residence time of 50 min and a purity of 66.1\% based on densitometric analysis using SDS-PAGE. In the latter part of the investigation, the general rate mechanistic model framework for size exclusion chromatography was developed and validated with the experimental results. The developed model helped in the accurate prediction of the elution volumes and product yield. The developed model also helps to predict the elution performance of a scalable column a priori. Post in vitro refolding, the formation of the native peptide structure was examined using various orthogonal analytical tools to study the protein{\textquoteright}s primary, secondary, and tertiary structures. The developed hybrid process development approach is a valuable tool toachieve high-yield, scalable refolding conditions for recombinant proteins without disulfide bonds.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c04463}, author = {Ughade, Santosh and Rana, Sunil and Nadeem, Mohd and Kumthekar, Rupali and Mahajani, Sanjay and Bhambure, Rahul} } @article {49011, title = {Metabolic reprogramming and signalling cross-talks in tumour-immune interaction: a system-level exploration}, journal = {Royal Society Open Science }, volume = {11}, year = {2024}, month = {MAR }, type = {Article}, abstract = {

Tumour-immune microenvironment (TIME) is pivotal in tumour progression and immunoediting. Within TIME, immune cells undergo metabolic adjustments impacting nutrient supply and the anti-tumour immune response. Metabolic reprogramming emerges as a promising approach to revert the immune response towards a pro-inflammatory state and conquer tumour dominance. This study proposes immunomodulatory mechanisms based on metabolic reprogramming and employs the regulatory flux balance analysis modelling approach, which integrates signalling, metabolism and regulatory processes. For the first time, a comprehensive system-level model is constructed to capture signalling and metabolic cross-talks during tumour-immune interaction and regulatory constraints are incorporated by considering the time lag between them. The model analysis identifies novel features to enhance the immune response while suppressing tumour activity. Particularly, altering the exchange of succinate and oxaloacetate between glioma and macrophage enhances the pro-inflammatory response of immune cells. Inhibition of glutamate uptake in T-cells disrupts the antioxidant mechanism of glioma and reprograms metabolism. Metabolic reprogramming through adenosine monophosphate (AMP)-activated protein kinase (AMPK), coupled with glutamate uptake inhibition, was identified as the most impactful combination to restore T-cell function. A comprehensive understanding of metabolism and gene regulation represents a favourable approach to promote immune cell recovery from tumour dominance.

}, keywords = {metabolic reprogramming, signalling-metabolic cross-talks, system modelling, tumour-immune interaction}, issn = {2054-5703}, doi = {10.1098/rsos.231574}, author = {Shukla, Mudita and Bhowmick, Rupa and Ganguli, Piyali and Sarkar, Ram Rup} } @article {49369, title = {Metal-organic frameworks for enhanced hydrogen generation from syngas: a density functional theory approach}, journal = {CHEMPLUSCHEM}, volume = {89}, year = {2024}, month = {NOV}, type = {Journal Article}, keywords = {carbon capture, H-2 separation, Metal organic, Porous coordination network (PCN-250), Syngas}, issn = {2192-6506}, doi = {10.1002/cplu.202400229}, author = {Gopalsamy, Karuppasamy and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and BabaRao, Ravichandar} } @article {49300, title = {Methanesulfonic acid-catalyzed friedel-crafts alkylation: towards sustainable synthesis of arylalkanes from donor-acceptor cyclopropane ketones}, journal = {Asian Journal of Organic Chemistry}, volume = {13}, year = {2024}, month = {JUL}, type = {Article}, abstract = {

We present herein Br \& oslash;nsted acid-catalyzed Friedel-Crafts alkylation of phenols with Donor-Acceptor cyclopropane ketones. The presence of the 1,4-diphenyl butan-1-one and 1,3-diphenyl propane-1-one motifs in various naturally occurring biologically significant molecules inspired us to pursue the direct synthesis of these structural frameworks. Utilizing methanesulfonic acid (MeSO3H) as a catalyst, we achieved a more environmentally friendly and high-yielding synthesis, owing to its cost-effectiveness, biodegradability, transition-metal and additives free conditions. Furthermore, we have successfully extended our developed methodology to thiophenols, resulting in the production of sulfur-based butan-1-one derivatives in good yields. The presence of 1,4-diphenyl butan-1-one and 1,3-diphenyl propane-1-one motifs in various naturally occurring biologically significant molecules prompted us to develop a Br \& oslash;nsted acid-catalyzed Friedel-Crafts alkylation of phenols with Donor-Acceptor cyclopropane. image

}, keywords = {donor-acceptor cyclopropane, Friedel-Crafts alkylation, methanesulfonic acid, Phenols, thiophenol}, issn = {2193-5807}, doi = {10.1002/ajoc.202400116}, author = {Goswami, Lakshmi and Paul, Sayantan and Mamale, Ajay G. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {49239, title = {Mitochondrial resilience and antioxidant defence against HIV-1: unveiling the power of Asparagus racemosus extracts and Shatavarin IV}, journal = {FRONTIERS IN MICROBIOLOGY}, volume = {15}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {IN-SILICO, INHIBIT HIV-1}, doi = {10.3389/fmicb.2024.1475457}, author = {Jadaun, Pratiksha and Harshithkumar, R. and Seniya, Chandrabhan and Gaikwad, Shraddha Y. and Bhoite, Shubhangi P. and Chandane-Tak, Madhuri and Borse, Swapnil and Chavan-Gautam, Preeti and Tillu, Girish and Mukherjee, Anupam} } @article {49353, title = {Modular synthesis of unsymmetrical indolyl diketones from ynediones via sequential aza-Michael addition/C-H functionalization}, journal = {Organic \& Biomolecular Chemistry}, volume = {22}, year = {2024}, month = {OCT }, pages = {8152-8156}, type = {Article}, abstract = {

Herein, we disclose an efficient approach for the synthesis of unsymmetrical indolyl diketones from easily accessible 1,2-alkynediones involving a sequential aza-Michael addition/C-H Functionalization process. The two-step, one-pot strategy involves the aza-Michael addition of an aniline generating the N-aryl enaminones followed by iodine-mediated C-H functionalization.

}, issn = {1477-0520}, doi = {10.1039/d4ob00946k}, author = {Naveed, Abdul and Bag, Debojyoti and Sawant, Sanghapal D.} } @article {49003, title = {Morphology tuning via linker modulation: metal-free covalent organic nanostructures with exceptional chemical stability for electrocatalytic water splitting}, journal = {Advanced Materials }, volume = {36}, year = {2024}, month = {MAR}, type = {Article}, abstract = {

The development of synthetic routes for the formation of robust porous organic polymers (POPs) with well-defined nanoscale morphology is fundamentally significant for their practical applications. The thermodynamic characteristics that arise from reversible covalent bonding impart intrinsic chemical instability in the polymers, thereby impeding their overall potential. Herein, a unique strategy is reported to overcome the stability issue by designing robust imidazole-linked POPs via tandem reversible/irreversible bond formation. Incorporating inherent rigidity into the secondary building units leads to robust microporous polymeric nanostructures with hollow-spherical morphologies. An in-depth analysis by extensive solid-state NMR (1D and 2D) study on H-1, C-13, and N-14 nuclei elucidates the bonding and reveals the high purity of the newly designed imidazole-based POPs. The nitrogen-rich polymeric nanostructures are further used as metal-free electrocatalysts for water splitting. In particular, the rigid POPs show excellent catalytic activity toward the oxygen evolution reaction (OER) with long-term durability. Among them, the most efficient OER electrocatalyst (TAT-TFBE) requires 314 mV of overpotential to drive 10 mA cm(-2) current density, demonstrating its superiority over state-of-the-art catalysts (RuO2 and IrO2).

}, keywords = {bi-functional electrocatalysts, chemically robust, hollow-spherical morphologies, imidazole-linked, inherent rigidity, metal-free, water splitting}, issn = {0935-9648}, doi = {10.1002/adma.202209919}, author = {Karak, Shayan and Koner, Kalipada and Karmakar, Arun and Mohata, Shibani and Nishiyama, Yusuke and Duong, Nghia Tuan and Thomas, Neethu and Ajithkumar, Thalasseril Govindankuttykaimal and Hossain, Munshi Sahid and Bandyopadhyay, Subhajit and Kundu, Subrata and Banerjee, Rahul} } @article {49458, title = {Multifunctional metabolites of Streptomyces kunmingensis BS19 from bamboo rhizosphere soil}, journal = {International Microbiology}, year = {2024}, month = {NOV}, type = {Article}, abstract = {

A pigmented bioactive molecule from\ Streptomyces kunmingensis\ BS19 was isolated, characterized, and evaluated for anti-infective, antiproliferative, and wound-healing properties. The yellow{\textendash}red pigment produced from the strain BS19 showed promising activity against methicillin-resistant\ Staphylococcus aureus\ (MRSA) and\ Mycobacterium tuberculosis. Extracellular bioactive pigment from the strain BS19 was produced by agar surface fermentation and purified through bioassay guided preparative HPLC-based purification. Based on the results of UV, FT-IR, GC{\textendash}MS,\ 1H NMR, and\ 13C NMR spectral analyses, the purified pigment was identified as a chromopeptide class of molecule with phenoxazinone chromophore. Its molecular weight was determined as the chemical formula C64H90N12O16\ and molecular weight 1283\ g/mol. It exhibited promising antimicrobial activity against\ Staphylococcus aureus\ (ATCC 1720) and antiproliferative activity against 14 types of human cancer cell lines. It showed good in vivo wound-healing activity in the rat model. The present study explored\ Streptomyces kunmingensis\ as a newly added source for the isolation of chromopeptide antibiotics for antimicrobial, wound-healing, and anticancer applications.

}, doi = {10.1007/s10123-024-00619-2}, author = {Sangeetha, Murthy and Sasirekha, Sivakumar and Mahendran, Jaganathan and Sivarajan, Anbalmani and Radhakrishnan, Manikkam and Manigundan, Kaari and Dastager, Syed G. and Sengottuvelu, Singaravel and Balagurunathan, Ramasamy} } @article {49313, title = {New insights into the composition and catalytic performance of VOx-Ga/γ-Al2O3 for the oxidative dehydrogenation of propane to propene}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {AUG }, pages = {15077-15087}, type = {Article}, abstract = {

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

}, issn = {1144-0546}, doi = {10.1039/d3nj05109a}, author = {Kandasamy, Prabu and Gawali, Sheetal and Venugopalan, Aswathy Thareparambil and Manikandan, Marimuthu and Mekala, Siva Prasad and Shelke, Ankita and Ajithkumar, Thalasseril G. and Bhatte, Kushal and Raja, Thirumalaiswamy} } @article {49298, title = {Nickel-catalyzed branch-selective C-H alkylation of indoles and azoles with alkenes: an additive- and solvent-free approach}, journal = {European Journal of Organic Chemistry}, volume = {27}, year = {2024}, month = {JUL }, type = {Article}, abstract = {

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

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

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

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

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

}, issn = {2044-4753}, doi = {10.1039/d3cy01699d}, author = {Subaramanian, Murugan and Padhy, Subarna Sukanya and Gouda, Chandrakanth and Das, Tamal and Vanka, Kumar and Balaraman, Ekambaram} } @article {49260, title = {Novel GO hoisted SnO2-BiOBr bifunctional catalyst for the remediation of organic dyes under illumination by visible light and electrocatalytic water splitting}, journal = {NANOSCALE}, volume = {16}, year = {2024}, month = {JUL }, pages = {12445-12458}, type = {Journal Article}, keywords = {Chemistry, Multidisciplinary, Nanoscience \& Nanotechnology}, issn = {2040-3364}, doi = {10.1039/d4nr01154f}, author = {Dhillon, Manshu and Naskar, Abhishek and Kaushal, Neha and Bhansali, Shekhar and Saha, Avishek and Basu, Aviru Kumar} } @article {48932, title = {Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility}, journal = {Crystengcomm}, volume = {26}, year = {2024}, month = {JAN }, pages = {248-260}, type = {Journal Article}, abstract = {

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

}, keywords = {Amorfization, hydrate, Parameters, Salt, Thyroid-Cancer}, doi = {10.1039/d3ce01130e}, author = {Bandaru, Ravi Kumar and Giri, Lopamudra and Krishna, Gamidi Rama and Dandela, Rambabu} } @article {49097, title = {N-SO3H functionalised br{\o}nsted acidic ionic liquid catalysed sequential one-pot synthesis of 2-amino-3-cyanopyridines via claisen-schmidt condensation under solvent-free condition}, journal = {Chemistryselect}, volume = {9}, year = {2024}, month = {MAR }, type = {Article}, abstract = {

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

}, keywords = {2-amino-3-cyanopyridines, Bronsted acidic ionic liquids, chalcones, Multicomponent reaction, One-pot approach}, issn = {2365-6549}, doi = {10.1002/slct.202304103}, author = {Das, Sukanya and Paul, Subham and Kashyap, Niharika and Saikia, Pinku and Borah, Ruli} } @article {49237, title = {N-terminal domain of polypyrimidine-tract binding protein is a dynamic folding platform for adaptive RNA recognition}, journal = {NUCLEIC ACIDS RESEARCH}, volume = {52}, year = {2024}, month = {AUG}, pages = {10683-10704}, type = {Journal Article}, keywords = {CHEMICAL-SHIFT ANISOTROPY, NMR, ROTATING-FRAME RELAXATION, TIME-SCALE DYNAMICS}, issn = {0305-1048}, doi = {10.1093/nar/gkae713}, author = {Damberger, Fred F. and Krepl, Miroslav and Arora, Rajika and Beusch, Irene and Maris, Christophe and Dorn, Georg and Sponer, Jiri and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {49370, title = {Ocimum kilimandscharicum 4CL11 negatively regulates adventitious root development via accumulation of flavonoid glycosides}, journal = {Plant Journal}, volume = {119}, year = {2024}, month = {JUL}, pages = {176-196}, type = {Article}, abstract = {

4-Coumarate-CoA Ligase (4CL) is an important enzyme in the phenylpropanoid biosynthesis pathway. Multiple 4CLs are identified in Ocimum species; however, their in planta functions remain enigmatic. In this study, we independently overexpressed three Ok4CL isoforms from Ocimum kilimandscharicum (Ok4CL7, -11, and -15) in Nicotiana benthamiana. Interestingly, Ok4CL11 overexpression (OE) caused a rootless or reduced root growth phenotype, whereas overexpression of Ok4CL15 produced normal adventitious root (AR) growth. Ok4CL11 overexpression in N. benthamiana resulted in upregulation of genes involved in flavonoid biosynthesis and associated glycosyltransferases accompanied by accumulation of specific flavonoid-glycosides (kaempferol-3-rhamnoside, kaempferol-3,7-O-bis-alpha-l-rhamnoside [K3,7R], and quercetin-3-O-rutinoside) that possibly reduced auxin levels in plants, and such effects were not seen for Ok4CL7 and -15. Docking analysis suggested that auxin transporters (PINs/LAXs) have higher binding affinity to these specific flavonoid-glycosides, and thus could disrupt auxin transport/signaling, which cumulatively resulted in a rootless phenotype. Reduced auxin levels, increased K3,7R in the middle and basal stem sections, and grafting experiments (intra and inter-species) indicated a disruption of auxin transport by K3,7R and its negative effect on AR development. Supplementation of flavonoids and the specific glycosides accumulated by Ok4CL11-OE to the wild-type N. benthamiana explants delayed the AR emergence and also inhibited AR growth. While overexpression of all three Ok4CLs increased lignin accumulation, flavonoids, and their specific glycosides were accumulated only in Ok4CL11-OE lines. In summary, our study reveals unique indirect function of Ok4CL11 to increase specific flavonoids and their glycosides, which are negative regulators of root growth, likely involved in inhibition of auxin transport and signaling.

}, keywords = {4-Coumarate-CoA ligase, 7-O-bis-alpha-l-rhamnoside, adventitious root, auxin transport, Flavonoids, kaempferol-3, Ocimum kilimandscharicum, quercetin-3-O-rutinoside, rootless}, issn = {0960-7412}, doi = {10.1111/tpj.16752}, author = {Lavhale, Santosh G. and Kondhare, Kirtikumar R. and Sinthadurai, Veenothini S. and Barvkar, Vitthal T. and Kale, Rutuja S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49072, title = {Oligo(phenyleneethynylene)s: shape-tunable building blocks for supramolecular self-assembly}, journal = {Angewandte Chemie-International Edition}, volume = {63}, year = {2024}, month = {APR }, type = {Review}, abstract = {

Oligo(phenyleneethynylene)s (OPEs) have attracted widespread attention due to their remarkable (opto)electronic and photophysical properties, which have enabled numerous applications. The versatile functionalization possibilities of OPEs make them unique candidates to form various shape-persistent geometries, including linear, triangular, rectangular, hexagonal and macrocyclic. However, as a result of this structural variety, it is oftentimes challenging to correlate molecular design with self-assembly properties. In this minireview, we have classified OPEs based on their molecular shapes and correlated them with their self-assembly behavior in solution. Particularly, we provide important insights into the aggregation propensity of the different molecular shapes and how to tune the association strength using various non-covalent interactions. Our classification will enable a better understanding of the structure-property correlation in OPEs, which is key to develop supramolecular functional materials.

}, keywords = {non-covalent interactions, Oligo(phenyleneethynylene)s, pi-conjugated systems, Self-assembly, Supramolecular Polymerizaton}, issn = {1433-7851}, doi = {10.1002/anie.202402259}, author = {Fernandez, Zulema and Sanchez, Luis and Santhosh Babu, Sukumaran and Fernandez, Gustavo} } @article {49357, title = {One-pot production of liquid hydrocarbons by catalytic hydrodeoxygenation of lignocellulosic biomass using nickel loaded on zeolite-based supports}, journal = {Energy \& Fuels}, volume = {38}, year = {2024}, month = {JUL }, pages = {13029-13038}, type = {Article}, abstract = {

The synthesis of liquid hydrocarbons from lignocellulosic biomass has been achieved with notable success. However, these technologies often require multistep approaches and are energy intensive. Thus, there is a considerable economic and environmental benefit of process intensification by the synthesis of liquid hydrocarbons in a one-pot process. For the first time, we report direct conversion of raw poplar into liquid alkanes and aromatics (carbon yield of 15.6 +/- 0.6 wt \%) with high selectivity toward C-7-C15 cycloalkanes (7.8 +/- 0.1 wt \%) and low level of oxygenated compounds (\<2.0 wt \%) at 270 degrees C and 3 MPa initial H(2 )pressure for 6 h using 10\% Ni/H-beta zeolite as a catalyst and cyclohexane as a solvent. The effect of temperature (250-270 degrees C), Ni loading (0-10\%), and type of zeolite support (H-beta, ZSM-5, and USY) on process performance was also investigated. In addition, the 10\% Ni/H-beta catalyst showed recyclability over two reactions, with a 17.6\% decrease in liquid hydrocarbon yield after the first reaction. This approach has the potential to simplify the synthesis of liquid fuels from lignocellulosic biomass.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c00659}, author = {Siakpebru, Odiri K. and Uchagawkar, Anoop and Gurrala, Lakshmiprasad and Bartlett, Jared and Adamson, Piersen and Gorschak, Nicholas and Hassiba, Adam and Niphadkar, Prashant and Bokade, Vijay and Morais, Ana Rita C.} } @article {49252, title = {One-pot synthesis of pyrazoles from sulfonyl hydrazides and alkynyl ketones using environmentally benign sulfonium iodate (I) reagent}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {OCT}, pages = {e202403249}, type = {Article}, abstract = {

Pyrazole is an omnipresent moiety in many natural products and pharmaceutically active compounds. Here, we have developed a simple and dynamic method for one-pot synthesis of substituted pyrazoles through the intramolecular cyclization of hydrazides and alkynyl ketones, using a novel sulfonium saltbased iodate (\& Iukcy;) reagent system. This method has the advantage that it proceeds in a one-pot, without isolating a less stable hydrazone intermediate. Hypervalent iodine-based reagents are an environmentally benign and greener option to toxic metal oxidants; they have an extensive application in metal-catalyst-free reactions, and this reaction proceeds in less time with high yields.

}, keywords = {Deprotonation, One-pot reaction, Oxidative iodination, Pyrazole, S(N)2-type cyclization}, issn = {2365-6549}, doi = {10.1002/slct.202403249}, author = {Mishra, Akanksha and Talukdar, Mrinal and Krishna, Gamidi Rama and Begari, Eeshwaraiah} } @article {49323, title = {Oxidative and selective C-C cleavage of glycerol to glycolaldehyde with atom-like Cu on Cu-TiO2: photocatalytic water reduction with concurrent glycerol oxidation in sunlight}, journal = {Journal of Catalysis}, volume = {437}, year = {2024}, month = {SEP}, pages = {115644}, type = {Article}, abstract = {

Concurrent consumption of electrons and holes for the conversion of a biomass component to value added products represents a highly efficient and sustainable approach towards utilizing renewable energy, but difficult to achieve. The integration of hydrogen production with glycerol oxidation presents a novel and sustainable approach towards achieving a circular economy. In the current study, integration of atom-like Cu-clusters onto TiO2 substrate has been achieved using a facile photo-deposition technique (TC-PDO). Also, novel synthetic approaches have been employed to augment the surface coverage of Cu on TiO2 with atom-like clusters of Cu, either by borohydride treatment on TiO2 followed by Cu-deposition (TC-200) or oxygen-vacancy creation by UV illumination followed by Cu-deposition (TC-PDO). Increased dispersion and enhanced electronic integration of Cu with TiO2 lead to a corresponding increase in the efficiency of photocatalytic hydrogen evolution (13.8 mmol/h.g for TC-PDO at pH 9). Several atom-like Cu integrated with each TiO2 particle acts as photocatalytic reactor, and the same enhances electron-hole separation as well as activity. Sustainable aspect was also studied for TC-PDO up to 25 h at pH 9. Concurrently, glycerol oxidation displays the highest selectivity to C2 product (glycolaldehyde with 70 \%) with a C-C cleavage. The investigation of this process holds significant potential for the extensive and simultaneous exploitation of electrons and holes in order to achieve water splitting and glycerol oxidation towards selective value-added products formation.

}, keywords = {C -C Cleavage, Glycerol, nanotechnology, Photo -deposition, solar energy conversion}, issn = {0021-9517}, doi = {10.1016/j.jcat.2024.115644}, author = {Bajpai, Himanshu and Nivedhitha, Thazhath R. and Dais, Elsa and Kanungo, Subhashree S. and Gopinath, Chinnakonda S.} } @article {49022, title = {Performance of Li exchange hierarchical X zeolite for CO2 adsorption and H2 separation}, journal = {Journal of Industrial and Engineering Chemistry }, volume = {133}, year = {2024}, month = {MAY }, pages = {505-514}, type = {Article}, abstract = {

Li exchange hierarchical X zeolite (Li-H-X) was prepared by decationization of X zeolite by NH4Cl solution followed by Li exchange and subsequent calcination. NH4-X and Li-X were prepared to compare the results of LiH-X. XRD, FE-SEM, EDS, N2 adsorption-desorption, and micro-/mesoporous volume were performed. The higher mesoporosity was confirmed in Li-H-X due to the framework dealumination during decationization. Static and dynamic sorption capacity of sorbents was evaluated to identify the performance of sorbent. The CO2 and H2 equilibrium adsorption capacity of Li-H-X was found to be 9.6 mmol g-1 and 0.78 mmol g-1, respectively, at 298 K and 20 bar, which was 25 \% (CO2) and 30 \% (H2) higher than Li-X. Static experimental data were validated using the Langmuir, Freundlich, and Sips models. The CO2 \& H2 dynamic sorption capacity of Li-H-X sorbent for binary gas (CO2/H2, 25/75 \%) was 4.145 mmol g-1 and 0.258 mmol g-1 at 303 K and 10 bar. The higher sorption capacity of Li-H-X was obtained due to large micro-/mesoporous volume of sorbent, which may allow to access unoccupied sites at higher pressure. This result reveals that micro-/mesoporous structure of zeolite adsorbs significantly higher CO2 from binary gas stream, which can use to separate pure H2 from gas stream.

}, keywords = {Adsorption, Carbon dioxide, Hydrogen, Microporous-mesoporous, Separation}, issn = {1226-086X}, doi = {10.1016/j.jiec.2023.12.027}, author = {Shrotri, Aadesh R. and Birje, Amit R. and Niphadkar, Prashant S. and V. Bokade, Vijay and Mali, Nilesh A. and Nandanwar, Sachin U.} } @article {49117, title = {Perturbation of fermi resonance on hydrogen-bonded \> C=O: 2D IR studies of small ester probes}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {APR}, pages = {4440-4447}, type = {Article}, abstract = {

We utilized linear and 2D infrared spectroscopy to analyze the carbonyl stretching modes of small esters in different solvents. Particularly noteworthy were the distinct carbonyl spectral line shapes in aqueous solutions, prompting our investigation of the underlying factors responsible for these differences. Through our experimental and theoretical calculations, we identified the presence of the hydrogen-bond-induced Fermi resonance as the primary contributor to the varied line shapes of small esters in aqueous solutions. Furthermore, our findings revealed that the skeletal deformation mode plays a crucial role in the Fermi resonance for all small esters. Specifically, the first overtone band of the skeletal deformation mode intensifies when hydrogen bonds form with the carbonyl group of esters, whereas such coupling is rare in aprotic organic solvents. These spectral insights carry significant implications for the utilization of esters as infrared probes in both biological and chemical systems.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.3c06698}, author = {Sakpal, Sushil and Chakrabarty, Suranjana and Reddy, Kambham Devendra and Deshmukh, Samadhan H. and Biswas, Rajib and Bagchi, Sayan and Ghosh, Anup} } @article {49449, title = {photoarchitectonic hydrogel for synergistic in vitro chemo{\textendash}phototherapy of breast cancer}, journal = {Materials Advances}, volume = {5}, year = {2024}, month = {JAN}, pages = {1903-1916}, type = {Article}, abstract = {

Currently, combinatorial therapy has evoked interest in cancer treatment, and may promote achieving a synergistic effect using cancer medicines. Laser-assisted and pH-responsive therapies have attracted significant attention, and their combination leads to high efficiency cancer treatment. Herein, we developed a chemo{\textendash}phototherapeutic hydrogel comprised of doxorubicin (DOX, a chemotherapeutic drug) and zinc phthalocyanine (ZnPc, a phototherapeutic drug) for combinatorial and synergistic treatment of breast cancer. Firstly, we have developed carbon dots (CDs, size of \~{}5 nm) utilizing lignin and folic acid as biocompatible sources. Then doxorubicin was loaded on the surface of the carbon dots\ via\ conjugation (DOX@CDs). Later on, zinc phthalocyanine and acrylic acid derivatives were utilized to develop a laser-responsive hydrogel (ZnPc-PP H). Afterward, doxorubicin-conjugated carbon dots were incorporated into the photoarchitectonic hydrogel to develop a chemo{\textendash}phototherapeutic drug-loaded hydrogel (DOX@CDs{\textendash}ZnPc-PP H). Subsequently, the\ in vitro\ pH-triggering experiments demonstrated that the hydrogel loaded with both DOX and ZnPc could release the drugs in an acidic environment. Interestingly,\ in vitro\ assays confirmed that DOX@CDs{\textendash}ZnPc-PP H could effectively target breast cancer cells (MCF-7). Furthermore, the developed chemo{\textendash}phototherapeutic hydrogel exhibited non-cytotoxic behavior. Owing to laser assisted reactive oxygen species generation from ZnPc present in the hydrogel, the growth of MCF-7 cells was significantly lowered. In conclusion, all experimental outcomes indicate that the photoarchitectonic hydrogel has the potential to be applied in synergistic chemo- and photodynamic therapy of cancer.

}, doi = {https://doi.org/10.1039/D3MA00900A}, author = {Paul, Shatabdi and Yadav, Binduma and Patil, Mahesh D. and Pujari, Anil Kumar and Singh, Umesh and Rishi, Vikas and Bhaumik, Jayeeta} } @article {49066, title = {Photocatalytic CO2 reduction to syngas using nickel phosphide-loaded CdS under visible light irradiation}, journal = {Journal of Physics-Energy}, volume = {6}, year = {2024}, month = {APR }, pages = {025019}, type = {Article}, abstract = {

Photocatalytic CO2 reduction is a sustainable pathway to produce syngas (H-2 + CO), which is a key feedstock for the production of several important liquid fuels on the industrial scale. However, achieving an appropriate tunable ratio of H-2:CO in syngas for commercial purposes is a challenging task. In this work, we present a low-cost and non-noble metal, phosphide-based co-catalyst-Ni2P-loaded cadmium sulfide (CdS) photocatalyst system, for photocatalytic CO2 reduction. As a co-catalyst, Ni2P fosters an efficient charge separation of photoexcited charges generated in the CdS production of syngas. In total, 3 wt.\% Ni2P/CdS exhibited exceptional performance of 50.6 mu mol g(-1) h(-1) in the CO evolution rate and 115 mu mol g(-1) h(-1) in the H-2 evolution rate, with a syngas composition varying from 2 to 4 in the H-2:CO ratio. Furthermore, first-principles density functional theory calculations were performed to study the surface energetics of the catalyst system and the results are found to be consistent with our experimental findings. Indeed, they establish that the composite favors CO2 photoreduction into syngas more efficiently than pure surfaces.

}, keywords = {CdS, CO2 reduction, Photocatalysis, Syngas, transition metal phosphides}, issn = {2515-7655}, doi = {10.1088/2515-7655/ad3676}, author = {Yadav, Poonam and Kumar, Santosh and Velankanni, Nandhakumar and Kuehne, Thomas D. and Gosavi, Suresh and Raghupathy, Ramya Kormath Madam and Bhosale, Reshma and Held, Georg and Shelke, Manjusha and Ogale, Satishchandra} } @article {49262, title = {Phytic acid customized hydrogel polymer electrolyte and prussian blue analogue cathode material for rechargeable zinc metal hydrogel batteries}, journal = {Small}, volume = {20}, year = {2024}, month = {AUG}, type = {Article}, abstract = {

Zinc anode deterioration in aqueous electrolytes, and Zn dendrite growth is a major concern in the operation of aqueous rechargeable Zn metal batteries (AZMBs). To tackle this, the replacement of aqueous electrolytes with a zinc hydrogel polymer electrolyte (ZHPE) is presented in this study. This method involves structural modifications of the ZHPE by phytic acid through an ultraviolet (UV) light-induced photopolymerization process. The high membrane flexibility, high ionic conductivity (0.085 S cm-1), improved zinc corrosion overpotential, and enhanced electrochemical stability value of approximate to 2.3 V versus Zn|Zn2+ show the great potential of ZHPE as an ideal gel electrolyte for rechargeable zinc metal hydrogel batteries (ZMHBs). This is the first time that the dominating effect of chelation of phytic acid with M2+ center over H-bonding with water is described to tune the gel electrolyte properties for battery applications. The ZHPE shows ultra-high stability over 360 h with a capacity of 0.50 mAh cm-2 with dendrite-free plating/stripping in Zn||Zn symmetric cell. The fabrication of the ZMHB with a high-voltage zinc hexacyanoferrate (ZHF) cathode shows a high-average voltage of approximate to 1.6 V and a comparable capacity output of 63 mAh g-1 at 0.10 A g-1 of the current rate validating the potential application of ZHPE. A novel phytic acid (PA) modulated zinc hydrogel polymer electrolyte (ZHPE) as an efficient electrolyte and separator for rechargeable Zn-metal hydrogel batteries (ZMHB) is designed. The zincophilic, and hydrogen bonding characteristics of ZHPE help in regulating uniform dendrite-free Zn-deposition over the Zn anode surface. ZHPE in combination with the developed high-voltage zinc hexacyanoferrate (ZHF) cathode performs as an efficient ZMHB. image

}, keywords = {high voltage cathode, high-conducting gel polymer electrolyte, phytic acid, rechargeable Zn-metal hydrogel batteries, Zn hydrogel polymer electrolyte}, issn = {1613-6810}, doi = {10.1002/smll.202311923}, author = {Dilwale, Swati and Puthiyaveetil, Priyanka Pandinhare and Babu, Athira and Kurungot, Sreekumar} } @article {49075, title = {Polymerized stimuli-responsive microgel hybrids of silver nanoparticles as efficient reusable catalyst for reduction reaction}, journal = {Heliyon}, volume = {10}, year = {2024}, month = {MAR}, pages = {e26244}, type = {Article}, abstract = {

We have showcased the potential of polymerized hydrogels (PGMs) with uniform -sized stimuliresponsive microgel particles as promising alternatives to prevent aggregation in solution based nanoparticle systems. In the current work, we implemented the PGM concept by embedding anionic stimuli -responsive microgels (PNIPAM-co-AAc)-silver (Ag) hybrids within a hydrogel matrix. These PGM@AgNP hybrid materials are used as catalysts for the reduction of 4-nitrophenol (4 -NP) to 4-aminophenol (4 -AP) in the presence of sodium borohydride. UV-VIS spectroscopy is used for studying catalytic activity. In the solution based system, the complete reduction of 4NP to 4 -AP took 30 minutes with pure Ag nanoparticles, 24 minutes with PNIPAM-Ag hybrid (Neutral) microgels and 15 minutes with PNIPAM-co-AAc-Ag (Anionic) hybrid microgels. In contrast PGM containing PNIPAM-co-AAc-Ag hybrids achieved full reduction in just 15 minutes, along with a 3 -minute induction period. For pure Ag nanoparticles, the first -order rate constant is found to be 0.25 min - 1, for PNIPAM-Ag hybrid (Neutral), it is 0.21 min- 1 and for PNIPAM-coAAc-Ag (Anionic), it is 0.5 min- 1 where as for PGM containing anionic microgel hybrids it is found to be 0.8 min - 1. Furthermore, the reusability of the PGM-Ag (anionic) materials for catalytic activity remains unaltered even after several washings. In summary, our study highlights the effectiveness of PGM@AgNP materials as efficient catalysts for the reduction of 4-nitrophenol to 4-aminophenol, indicating their versatile potential in various catalytic applications.

}, keywords = {Light scattering, Microgel-metal hybrids, Nanomaterial catalysts, PNIPAM microgels, Polymerized hydrogel matrix(PGM, Stimuli-responsive microgels}, doi = {10.1016/j.heliyon.2024.e26244}, author = {Pany, Biswajit and Majumdar, Amrito Ghosh and Bhat, Suresh and Si, Satybrata and Yamanaka, Junpei and Mohanty, Priti S.} } @article {49096, title = {Poly(d,l-lactide-co-glycolide) surface-anchored biotin-loaded irinotecan nanoparticles for active targeting of colon cancer}, journal = {ACS Omega }, volume = {9}, year = {2024}, month = {JAN }, pages = {3807-3826}, type = {Article}, abstract = {

A poly-(d,l-lactide-co-glycolide) (PLGA) copolymer was synthesized using the ring-opening polymerization of d,l-lactide and glycolide monomers in the presence of zinc proline complex in bulk through the green route and was well characterized using attenuated total reflectance-Fourier transform infrared, H-1 and C-13 nuclear magnetic resonance, gel permeation chromatography, differential scanning calorimetry, X-ray diffraction, matrix-assisted laser desorption/ionization time-of-flight, etc. Furthermore, PLGA-conjugated biotin (PLGA-B) was synthesized using the synthesized PLGA and was employed to fabricate nanoparticles for irinotecan (Ir) delivery. These nanoparticles (PLGA-NP-Ir and PLGA-B-NP-Ir) were tested for physicochemical and biological characteristics. PLGA-B-NP-Ir exhibited a stronger cellular uptake and anticancer activity as compared to PLGA-NP-Ir in CT-26 cancer cells (log p \< 0.05). The accumulation and retention of fluorescence-labeled nanoparticles were observed to be better in CT-26-inoculated solid tumors in Balb/c mice. The PLGA-B-NP-Ir-treated group inhibited tumor growth significantly more (log p \< 0.001) than the untreated control, PLGA-NP-Ir, and Ir-treated groups. Furthermore, no body weight loss, hematological, and blood biochemical tests demonstrated the nanocarriers{\textquoteright} nontoxic nature. This work presents the use of safe PLGA and the demonstration of a proof-of-concept of biotin surface attached PLGA nanoparticle-mediated active targeted Ir administration to combat colon cancer. To treat colon cancer, PLGA-B-NP-Ir performed better due to specific active tumor targeting and greater cellular uptake due to biotin.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c07833}, author = {Giram, Prabhanjan S. and Nimma, Ramakrishna and Bulbule, Anuradha and Yadav, Amit Singh and Gorain, Mahadeo and Radharani, Nalukurthi Naga Venkata and Kundu, Gopal C. and Garnaik, Baijayantimala} } @article {49342, title = {Polyvalent interaction and confinement to suppress polysulfide dissolution and improve electrocatalysis}, journal = {CATALYSIS SCIENCE \& TECHNOLOGY}, volume = {14}, year = {2024}, month = {JUN }, pages = {3416-3423}, type = {Journal Article}, keywords = {cathode material, HIGH-CAPACITY, Particles, SULFUR CATHODE}, issn = {2044-4753}, doi = {10.1039/d4cy00243a}, author = {Bharathkumar, H. J. and Shivankar, Bhavana R. and Krishnamurty, Sailaja and Chen, Dehong and Caruso, Rachel A. and Krishnamoorthy, Kothandam} } @article {49281, title = {Preparation and structural characterization of disordered Na-gallosilicate zeolite with natrolite framework and itsK+ and NH4+ exchanged analogues exchanged analogues}, journal = {JOURNAL OF POROUS MATERIALS}, volume = {31}, year = {2024}, month = {OCT}, pages = {1817-1825}, type = {Journal Article}, issn = {1380-2224}, doi = {10.1007/s10934-024-01631-7}, author = {Gavhane, Manjusha J. and Jha, R. K. and Nam, Kyung-Wan and Bhange, Deu S.} } @article {49254, title = {Pressure swing adsorption of Li exchange hierarchical X zeolite for pure hydrogen from binary gas mixture}, journal = {International Journal of Hydrogen Energy}, volume = {73}, year = {2024}, month = {JUL }, pages = {138-147}, type = {Article}, abstract = {

This study reports the separation of pure hydrogen (H2) employing pressure swing adsorption (PSA). The Li-X and Li-hierarchical X (Li-H-X) zeolite were prepared by an ion exchange process. The sorbents were evaluated through several experiments including, breakthrough, empty bed contact time (EBCT), single-bed, and two-bed PSA with different steps. The effect of pressure, purity, and recovery relationship was developed. The highpressure PSA study was performed at 4, 6, and 10 bar with varying feed flow rates to assess their efficacy in pure H2 separation using binary gas stream (H2/CO2, 75/25 vol.\%). The breakthrough adsorption capacity of Li-H-X exhibited 3.4 mmol g-1 and 0.212 mmol g-1 of CO2 and H2, respectively. Li-H-X shows -8\% higher CO2 sorption capacity than the Li-X sorbent at 1 bar and 300 K due to the large meso-microporous structure of the sorbent. The two-bed PSA purity and recovery were found higher than single-bed PSA. Using two-bed PSA, the Li-H-X achieved a 99.5\% of purity, 92.9\% of recovery, and 10.4 mL min-1 g-1 of productivity, which was -16\% higher recovery and productivity than single-bed PSA at a flow rate of 1200 mL min-1 at 6 bar. With increasing the pressure and flow rate, the recovery of Li-H-X was enhanced up to 93.7\% with 99.1\%-99.9\% H2 purity. The long-term PSA was run using Li-H-X sorbent for 7.5 h with 230 cycles with H2 purity between 98.5 and 99.5\% at 6 bar. Interestingly, the adsorbent shows the scalability of PSA for efficient H2 separation for a binary mixture of H2/CO2.

}, keywords = {adsorbent, Binary gas mixture, Hydrogen purification, Li-H-X, Mesoporous zeolite, Pressure swing adsorption}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.06.011}, author = {Shrotri, Aadesh R. and Birje, Amit R. and Nandanwar, Sachin U.} } @article {49344, title = {Probing surface interactions in CdSe quantum dots with thiocyanate ligands}, journal = {NANOSCALE}, volume = {16}, year = {2024}, month = {AUG }, pages = {14922-14931}, type = {Journal Article}, keywords = {COLLOIDAL NANOCRYSTALS, STRUCTURAL DYNAMICS, Thin-films}, issn = {2040-3364}, doi = {10.1039/d4nr01507j}, author = {Deshmukh, Samadhan H. and Yadav, Sushma and Chowdhury, Tubai and Pathania, Akhil and Sapra, Sameer and Bagchi, Sayan} } @article {49218, title = {Purification of waste-generated biogas mixtures using covalent organic framework{\textquoteright}s high CO2 Selectivity}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {APR}, pages = {22066-22078}, type = {Journal Article}, keywords = {CAPTURE, CARBON-DIOXIDE, Efficiency, Energy, Hydrogen, STORAGE}, issn = {1944-8244}, doi = {10.1021/acsami.4c03245}, author = {Paul, Ratul and Maibam, Ashakiran and Chatterjee, Rupak and Wang, Wenjing and Mukherjee, Triya and Das, Nitumani and Yellappa, Masapogu and Banerjee, Tanmay and Bhaumik, Asim and Venkata Mohan, S. and BabaRao, Ravichandar and Mondal, John} } @article {49206, title = {Pyridazine-Based Aggregation Induced Emission Active Conjugates: Synthesis, Single Crystal XRD Analysis, and Self-Assembly Assessment}, journal = {CHEMISTRYSELECT}, volume = {9}, year = {2024}, month = {OCT}, keywords = {AIE, Pyridazine, Self-assembly, Single crystal}, issn = {2365-6549}, doi = {10.1002/slct.202403058}, author = {Waghchoure, Aishwarya P. and Sangale, Vijay B. and Shaligram, Parth S. and Lambud, Sushil and Pardeshi, Satish K. and Gonnade, Rajesh G. and Bandaru, Sateesh and More, Sandeep and Reddy, J. Prakasha and Bhosale, Rajesh S.} } @article {49329, title = {Rational design of zero-dimensional manganese(II) halide hybrids with suppressed melting temperatures}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, volume = {128}, year = {2024}, month = {AUG }, pages = {14849-14859}, type = {Journal Article}, keywords = {ORGANIC-INORGANIC PEROVSKITES, TRANSITION}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c04444}, author = {Singh, Shivangi and Marayathungal, Jumana Hasin and Das, Deep Kumar and Khan, Akram Aadil and Bakthavatsalam, Rangarajan and Hathwar, Venkatesha R. and Kundu, Janardan} } @article {49270, title = {Reaction kinetics for catalytic hydrogenation of quinoline to decahydroquinoline as liquid organic hydrogen carrier}, journal = {International Journal of Hydrogen Energy}, volume = {92}, year = {2024}, month = {NOV}, pages = {102-112}, type = {Article}, abstract = {

The catalytic hydrogenation of quinoline to decahydroquinoline (DHQ) formation is studied for various parameters such as temperature, hydrogen pressure, reaction time, solvents, reactant-to-solvent ratio, and catalyst loading over 5\%Pd loaded on alumina (Pd/Al2O3) to obtain optimal reaction conditions. The hydrogen uptake of quinoline in the liquid phase reaction using isopropylalcohol (IPA) is studied in an autoclave reactor. The optimum reaction parameters of 50 bar H2 pressure and 175oC with reactant to solvent ratio of 1:9 for reaction time of 5 h are observed. The effect of IPA solvent showed that hydrogen uptake of 6.91 wt\% with complete hydrogenation of quinoline and DHQ yield of more than 99\% is observed. The reaction kinetic model is developed for a simplified reaction mechanism and is simulated using the Markov Chain Monte Carlo (MCMC) simulation tool to predict the rate constants and the experimental observations are validated with the model predictions. The activation energy for quinoline hydrogenation to py-THQ formation is estimated to be 136.57 kJ/mol. It is envisaged that quinoline hydrogenation to pz-THQ is the rate-limiting step in the DHQ formation.

}, keywords = {Decahydroquinoline (DHQ), Hydrogen uptake, Liquid organic hydrogen carrier (LOHC), Markov chain Monte Carlo (MCMC) simulation, Thermal screening unit (TSU), tool}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.10.247}, author = {Bagwan, Farahanaz M. and Kinage, Anil K. and Vasireddy, Satyam Naidu} } @article {48945, title = {Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(II) complexes}, journal = {Polymer Chemistry}, volume = {15}, year = {2024}, month = {JAN }, pages = {292-302}, type = {Journal Article}, abstract = {

Ligands play a prominent role in ethylene polymerization. However, it is a highly challenging task to regulate branching through ligand modifications. Here we report the synthesis of systematically sterically tailored naphthoxy imine-ligated nickel complexes (Ni1, Ni2, and Ni3), their performance in ethylene polymerization, and how the ligand steric controls branching in the resultant PE. Ni1-Ni3 were prepared in one step with an excellent yield (73-93\%). The identity of these complexes was unambiguously ascertained using H-1, C-13, 2D NMR spectroscopy, mass analysis, and single-crystal X-ray diffraction. The molecular structure revealed a cis arrangement of alkyl/aryl and donor groups (C-Ni-D), which is necessary for initiating ethylene polymerization. Buried volume contours suggested Ni3 to be sterically the most bulky among the three. When exposed to ethylene, the three nickel complexes Ni1, Ni2, and Ni3 produced polyethylene with excellent activity. As predicted by buried volume calculations, dibenzhydryl-substituted Ni3 outperformed sterically less crowded Ni1 and Ni2. Careful analysis of the resultant PE disclosed that sterically less encumbered Ni1 and Ni2 produce PE with high branching (43-54 branches/1000-C atoms) density. However, the bulkiest Ni3 revealed much lower branching (28 branches/1000-C atoms) and a high TOF of 35 400 mol of PE per mol of Ni per h, along with a high molecular weight of PE (61 000 Da). The steric bulk in Ni3, most likely, reduces chain-walking and thus lowers branching in the resultant PE. As compared to the literature-reported analogous Pd1 catalyst, the Ni3 catalyst discloses high TOF, high molecular weight, and less branched, linear polyethylene.

}, keywords = {Catalyzed Olefin Polymerization, High-Temperature, Molecular Weight}, issn = {1759-9954}, doi = {10.1039/d3py01010d}, author = {Birajdar, Rajkumar S. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {49025, title = {Remarkable SO2 and H2S resistant ability on CO oxidation by unique Pd/WO3 3D hollow sphere nanocatalyst: correlating structure-activity relationships on SO2 exposure}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {JAN }, pages = {1476-1487}, type = {Article}, abstract = {

We report a simple inorganic route for synthesizing a Pd/WO3 3D hollow sphere nanocatalyst, where Pd nanoparticles are encapsulated and well distributed on porous tungsten oxide nanospheres. The synthesis protocol has advantages, as it requires no surfactant or stabilizing agent, Pd loading is easily tuned, and the as-synthesized nanomaterials can be directly used as catalysts for the CO oxidation reaction. The synthesized nanocatalyst exhibited 100\% CO to CO2 conversion efficiency at 260 degrees C. In addition, the nanocatalyst demonstrated remarkable SO2 (3 ppm) tolerance during the CO oxidation reaction for prolonged SO2 sulfation of 1-21 h at 260-400 degrees C. This represents the longest SO2 exposure time reported to date based on a single metal Pd/support-based nanocatalyst. No decrement in CO conversion efficiency was observed even after SO2 (3 ppm) treatment for 21 h for the first time based on a single metal Pd-based nanocatalyst. Moreover, the synthesized nanocatalyst shows H2S (4 ppm), even in situ H2S tolerance during the CO oxidation reaction at 260 degrees C for 1-3 h and exhibited less sensitivity to prolonged and stringent sulfur exposure, with the highest H2S concentration and maximum 100\% CO to CO2 conversion efficiency obtained after H2S treatment for the first time based on a Pd-based nanocatalyst to the best of our knowledge. The composition and structure of the R-Pd/WO3 nanocatalyst were not much influenced, even after the prolonged SO2 and H2S exposure during the CO oxidation reaction, as verified from spent catalyst analysis. Finally, our DFT-based model provides insights into understanding the observed sulfur resistance on Pd/WO3 by analyzing the underlying electronic structure. Therefore, our strategic synthesis methodology will open up many opportunities to select Pd/metal oxide-based nanomaterials for designing highly efficient, stable, and SO2/H2S-resistant nanocomposite catalyst.

}, keywords = {CO oxidation, DFT calculation, nanocatalyst, palladium (Pd), SO2 andH(2)S resistant ability, structure-activityrelationships, tungstenoxide (WO3)}, issn = {2574-0962}, doi = {10.1021/acsaem.3c02664}, author = {Jeyavani, Vijayakrishnan and Kondhekar, Deepali and Bhati, Meema and Dev, Sahil and Joshi, Kavita and Devi, R. Nandini and Mukherjee, Shatabdi Porel} } @article {48989, title = {Repurposing phytochemicals of Citrullus colocynthis against maltase-glucoamylase using molecular docking, MMGBSA, MD simulation and linear regression to identify potential anti-diabetic compounds}, journal = {Journal of biomolecular structure and dynamics}, volume = {42}, year = {2024}, month = {JUL }, pages = {5197-5206}, type = {Article}, abstract = {

Diabetes is a common lifestyle disorder found in populations of different age groups. Maltase-glucoamylase catalyses the release of the glucose molecule in the final enzymatic reaction of starch digestion; therefore, inhibition of maltase-glucoamylase is one of the approaches in the development of therapeutics for diabetes. Citrullus colocynthis is commonly recommended in Ayurveda for the treatment of diabetes. The current study applied a structure-based drug design approach to repurpose the phytochemicals of Citrullus colocynthis to identify potential inhibitors for maltase-glucoamylase. 70 phytochemicals of Citrullus colocynthis were screened against maltase-glucoamylase and top 5 molecules 8-p-hydroxybenzylisovitexin, isoorientin, cucurbitacin B, cucurbitacin E, and cucurbitacin I with significant binding energy of -10 kcal/mol, -9.9 kcal/mol, -9.6 kcal/mol, -9.2 kcal/mol, and -7.7 kcal/mol were identified. Furthermore, MMGBSA, pharmacokinetics properties and toxicity prediction were performed on the five identified molecules and top 3 molecules were selected for molecular dynamics (MD) simulation. It was observed from the structural flexibility and dynamic behaviour of the systems that conformational changes were noticed in the complexes as compared to its native state, which suggests that the 3 molecules, namely 8-p-hydroxybenzylisovitexin, isoorientin, and cucurbitacin I of Citrullus colocynthis may act as inhibitors for maltase-glucoamylase.Communicated by Ramaswamy H. Sarma

}, keywords = {Citrullus colocynthis, Diabetes, linear regression, molecular dynamics simulation, phytochemicals}, issn = {0739-1102}, doi = {10.1080/07391102.2023.2225107}, author = {Sahu, Parameswar and Sahoo, Rosaleen and Sahu, Abhishek Kumar and Saluja, Sundeep Singh and Behera, Banshidhar} } @article {49002, title = {Robust spin liquidity in 2D metal-organic framework Cu3 (HHTP)2 with S=1/2 kagome lattice}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {JAN }, type = {Article}, abstract = {

On one hand electron or hole doping of quantum spin liquid (QSL) may unlock high-temperature superconductivity and on the other hand it can disrupt the spin liquidity, giving rise to a magnetically ordered ground state. Recently, a 2D MOF, Cu-3(HHTP)(2) (HHTP - 2,3,6,7,10,11-hexahydroxytriphenylene), containing Cu(II) S = 1/2 frustrated spins in the Kagome lattice is emerging as a promising QSL candidate. Herein, we present an elegant in situ redox-chemistry strategy of anchoring Cu-3(HHTP)(2) crystallites onto diamagnetic reduced graphene oxide (rGO) sheets, resulting in the formation of electron-doped Cu-3(HHTP)(2)-rGO composite which exhibited a characteristic semiconducting behavior (5 K to 300 K) with high electrical conductivity of 70 S . m(-1) and a carrier density of similar to 1.1 x 10(18) cm(-3) at 300 K. Remarkably, no magnetic transition in the Cu-3(HHTP)(2)-rGO composite was observed down to 1.5 K endorsing the robust spin liquidity of the 2D MOF Cu-3(HHTP)(2). Specific heat capacity measurements led to the estimation of the residual entropy values of 28 \% and 34 \% of the theoretically expected value for the pristine Cu-3(HHTP)(2) and Cu-3(HHTP)(2)-rGO composite, establishing the presence of strong quantum fluctuations down to 1.5 K (two times smaller than the value of the exchange interaction J).

}, keywords = {2D Metal-organic Framework, Electron doping, Reduced graphene oxide, Spin Liquid, Spin-frustration}, issn = {0947-6539}, doi = {10.1002/chem.202303718}, author = {Ninawe, Pranay and Jain, Anil and Sangole, Mayur and Anas, Mohd and Ugale, Ajay and Malik, Vivek K. and Yusuf, Seikh M. and Singh, Kirandeep and Ballav, Nirmalya} } @article {49044, title = {Role of aromatic alcohol additives on asymmetric organocatalysis reactions: insights from theory}, journal = {Chemistry-an asian jounrnal}, volume = {19}, year = {2024}, month = {FEB }, type = {Article}, abstract = {

The presence of an aromatic additive has been seen to enhance, often significantly, the enantioselectivity and yield in asymmetric organocatalysis. Considering their success across a dizzying range of organocatalysts and organic transformations, it would seem unlikely that a common principle exists for their functioning. However, the current investigations with DFT suggest a general principle: the phenolic additive sandwiches itself, through hydrogen bonding and pi \& sdot;\& sdot;\& sdot;pi stacking, between the organocatalyst coordinated electrophile and nucleophile. This is seen for a wide range of experimentally reported systems. That such complex formation leads to enhanced stereoselectivity is then demonstrated for two cases: the cinchona alkaloid complex (BzCPD), catalysing thiocyanation (2-naphthol additive employed), as well as for L-pipecolicacid catalysing the asymmetric nitroaldol reaction with a range of nitro-substituted phenol additives. These findings, indicating that dual catalysis takes place when phenolic additives are employed, are likely to have a significant impact on the field of asymmetric organocatalysis. The current DFT based study, on a wide range of organocatalysis systems, reveals a general principle by which phenolic additives influence asymmetric organocatalysis reactions. It is shown that the phenolic additive forms a sandwich complex, through hydrogen bonding and pi \& sdot;\& sdot;\& sdot;pi stacking interactions, with the organocatalyst coordinated electrophile and nucleophile, and enhances the enantioselectivity of the system as a result. image

}, keywords = {Additive, Asymmetric Organocatalysis, Cinchona Alkaloid, Density functional theory, Enantioselective Thiocyanation}, issn = {1861-4728}, doi = {10.1002/asia.202300997}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {49080, title = {Role of nitrogen doping in modulating ruthenium nanocatalysts for enhanced electrochemical hydrogen evolution reaction in alkaline medium}, journal = {Chemistry of Materials }, volume = {36}, year = {2024}, month = {APR }, pages = {4262-4274}, type = {Article}, abstract = {

Nitrogen doping has become a fundamental approach to enhance the catalytic performance of carbon materials across various applications. The introduction of nitrogen creates defects and active sites, promoting the formation of small metal particles and strengthening the metal-support interaction within carbon materials. However, the challenge lies in developing sustainable and cost-effective methods for synthesizing nitrogen-doped carbon materials. In this study, we present a sustainable approach for the synthesis of ruthenium on nitrogen-doped carbon catalysts (Ru-CCP) using chitosan as a nitrogen and carbon source. Unlike traditional methods, our process avoids the use of additional nitrogen precursors and templates, streamlining the synthesis while using a renewable resource. The synthesized material exhibits an exceptional performance in the electrochemical hydrogen evolution reaction (HER) in alkaline conditions by achieving a current density of 25 mA cm(-2) at an impressively low overpotential of 46 mV, outperforming Pt/C under similar conditions. The detailed studies on structural and electronic properties of the materials using X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and transmission electron microscopy (TEM) revealed that the remarkable catalytic activity is upheld by the unique interplay between Ru delta+ and surface nitrogen moieties, notably pyridinic and pyrrolic nitrogen. Here, we demonstrate the control of particle size and electronic environment around the metal atom via the interaction of nitrogen and unravel the role of nitrogen doping in tuning the catalytic performance. In addition, this work offers insights into efficient HER catalyst design and emphasizes the potential of biomass-derived materials like chitosan in advancing clean hydrogen production for renewable energy applications.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.3c03169}, author = {Korampattu, Lavanya and Barik, Sidharth and Pandikassala, Ajmal and Urkude, Rajashri R. and Kurungot, Sreekumar and Dhepe, Paresh L.} } @article {49197, title = {Safety enhanced novel polymer electrolytes for lithium-ion battery: Anomalous output performance with long term cycling stability by doping and polymer blending}, journal = {MATERIALS TODAY CHEMISTRY}, volume = {39}, year = {2024}, month = {JUL}, pages = {102121}, keywords = {Blend polymers, Ceramic fillers, Gel polymer electrolytes}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2024.102121}, author = {Balakrishnan, Neethu T. M. and Melepurakkal, Amrutha and Das, Akhila and Kenz, K. T. Mohammed and Subramaniam, Mohanapriya and Shelke, Manjusha and Pullanchiyodan, Abhilash and Raghavan, Prasanth} } @article {49238, title = {Scalable approach using a gC3N4 -covalent organic framework hybrid catalyst towards sustainable hydrogen production from seawater and wastewater}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {AUG 22}, pages = {13381-13388}, type = {Journal Article}, issn = {2041-6520}, doi = {10.1039/d4sc01387e}, author = {Asokan, Kiran and Bhagyasree, T. M. and Devasia, George and Krishnamurty, Sailaja and Solim, Sabah and Rueda, Lina and Al-Mohannadi, Dhabia M. and Al-Hashimi, Mohammed and Kakosimos, Konstantinos and Santhosh Babu, Sukumaran} } @article {49077, title = {Scanning tunneling microscopy investigation of synaptic behavior in AgInS2 quantum dots: effect of ion transport in neuromorphic applications}, journal = {ACS Applied Nano Materials }, volume = {7}, year = {2024}, month = {MAR}, pages = {7226-7236}, type = {Article}, abstract = {

Scanning tunneling microscopy (STM) is a powerful technique for investigating the nanoscale properties of functional materials. Additionally, scanning tunneling spectroscopy (STS) facilitates the determination of the local density of states (LDOS) within the material. In this study, we present an exploration of the resistive switching (RS) properties and neuromorphic computing capabilities of individual AgInS2 quantum dots, utilizing STM and STS techniques. By examining the material{\textquoteright}s bandgap and its temperature dependence, we uncover a nonlinear variation below the Debye temperature and a linear trend at higher temperatures. Moreover, STS measurements demonstrate changes in the conducting states induced by localized pulses, further confirming the unique characteristics of the quantum dots. The experimental devices constructed by using these quantum dots effectively replicate the RS properties observed at the nanoscale. To assess the neuromorphic application of the devices, pulse transient measurements simulating the learning and forgetting processes were conducted. The gradual set and reset processes successfully mimic the information retention and erasure capabilities essential for neuromorphic computing. Notably, the resistive switching mechanism in these devices is attributed to localized ionic transport, which highlights the significant involvement of ionic species in the observed RS behavior. The outcomes of this study contribute to the fundamental understanding of RS properties in single AgInS2 quantum dots and offer valuable insights into their potential applications in neuromorphic computing.

}, keywords = {corona poling, Ion transport, neuromorphic computing, quantum dots, resistive switching, Scanning tunneling microscopy, STS}, doi = {10.1021/acsanm.3c06272}, author = {Betal, Atanu and Chetia, Anupam and Bera, Jayanta and Saikia, Dibyajyoti and Sharma, Ashish and Rath, Arup K. and Sahu, Satyajit} } @article {49398, title = {Selective oxidation of biomass derived 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran (DFF) over spent dry cell battery cathode material (BCM-2)}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {NOV}, type = {Article}, abstract = {

Widespread use of batteries across the globe generates a huge amount of waste. This work is the first to report spent dry cell (Zn-Carbon) battery cathode material (BCM-2) as a heterogeneous catalyst for selective synthesis of fine chemical 2,5-diformylfuran (DFF). Cathode material was easily separated from spent batteries, and acid leached followed by calcination to obtain black powder that was denoted as BCM-2. The catalyst was characterized using various techniques such as P-XRD, EDAX, SEM, HR-TEM, TGA, XPS, and BET analysis. Superior catalytic activity was shown by the catalyst for selective formation of DFF using molecular O2\ as a sole oxidant. The catalyst was found to give excellent HMF conversion of 97\% with 98\% high selectivity of DFF. The BCM-2 catalyst was easily recycled and reused without any significant loss in its catalytic activity. This is one of the best examples for a sustainable, cost-effective, and highly efficient catalytic system for the synthesis of the value-added chemical DFF.

}, doi = {https://doi.org/10.1021/acsaenm.4c00537}, author = {Ghadge, Sambhaji S. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49043, title = {Short review on the synthetic routes for the antiepileptic drug (S)-levetiracetam}, journal = {Organic Process Research and Development }, volume = {28}, year = {2024}, month = {MAR }, pages = {924-936}, type = {Review}, abstract = {

Epilepsy is a chronic disorder characterized by recurrent unpredictable seizures. Levetiracetam (Keppra) was introduced by UCB for the treatment of partial onset seizures in patients above 16 years of age diagnosed with epilepsy. This review reports synthetic strategies available for the synthesis of (S)-levetiracetam and will certainly aid the quest for the development of new routes for its synthesis.

}, keywords = {antiepileptic drug, butyrolactam, epilepsy, levetiracetam, synthesis}, issn = {1083-6160}, doi = {10.1021/acs.oprd.4c00002}, author = {Paul, Sayantan and Bhattacharya, Asish K.} } @article {49444, title = {Silver nanoparticles in electrospun ethyl hydroxy ethyl cellulose-PVA Nanofiber: synthesis, characterization and wound dressing applications}, journal = {Carbohydrate Polymer Technologies and Applications}, volume = {7}, year = {2024}, month = {JUN}, pages = {100477}, type = {Article}, abstract = {

Electrospinning is a simple, cost-effective technique and a reproducible process for both synthetic and\ natural polymers. It is found to be an attractive tool for various applications in biomedical engineering, filtration, protective clothing, catalysis reactions and sensors. Non-ionic cellulose ethers namely Ethyl Hydroxy\ Ethyl Cellulose\ (EHEC) is an important\ polysaccharide\ which is non-toxic, biocompatible and biodegradable and finds applications as thickening/rheology control agents in paints, cosmetics, detergents, oil recovery and also in the biomedical area. Poly (vinyl alcohol) (PVA) is a semi-crystalline\ hydrophilic polymer\ which is highly biocompatible and non-toxic having good thermal and mechanical properties and also high water solubility. Silver shows powerful antimicrobial activity and is non-toxic. It has been used to cure severe burns and chronic ulcers for many decades and is extensively used as an additive in various fields like prostheses, burn treatment, catheters, vascular grafts, dental resin components, ion exchange fibers,\ stainless steel\ materials, human skin and coating of\ medical devices. In the present work, EHEC/PVA\ nanofibers\ embedded with silver\ nanoparticles\ (AgNPs) are studied for their\ antibacterial activity\ using both gram positive and\ gram negative bacteria. The\ nanofibers\ show increase in\ tensile properties\ with the addition of silver nano-particles. The\ AgNPs\ embedded EHEC/PVA nanofiber mats having 0.5\% AgNPs were found to enhance the\ wound healing\ with no scar formation in\ wistar rats. The biological\ in-vitro\ and\ in-vivo\ studies support the potential of EHEC based\ nanofibers\ as excellent bio-materials for the treatment of severe burns and\ wounds. To the best of our knowledge, this is the first report on the electrospinning of EHEC/PVA nanofibers for wound healing applications.

}, doi = {https://doi.org/10.1016/j.carpta.2024.100477}, author = {Wali, Ashwini and Gorain, Mahadeo and Kundu, Gopal and Badiger, Manohar} } @article {49655, title = {Simultaneously mechanically flexible, photobending, and acidochromic cyanostilbene molecular crystals}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2024}, month = {DEC}, pages = {309-318}, type = {Article}, abstract = {

Molecular crystals that respond to multiple stimuli are gaining significant attention for their potential in smart materials like actuators and sensors. However, imparting multiple stimuli-responsive properties to a single crystal remains a major challenge. Herein, we report two cyanostilbene derivative-based crystals 1 and 2, with various responses to stimuli such as mechanical stress, light, acid vapors, etc. Both crystals 1 and 2 demonstrated mechanical flexibility and reversible acidochromism. Additionally, crystal 1 also exhibited light-induced photobending, which is ascribed to Z to E photoisomerization. Detailed structure-property correlation was established to unravel distinct mechanical responses. The development of these multitasking crystals may find applications in multitasking actuators, anticounterfeiting materials, and more.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c01341}, author = {Parthasarathy, Thiyagaraj and Mishra, Manish Kumar and Bhattacharya, Biswajit and Emmerling, Franziska and Ghosh, Soumyajit} } @article {49415, title = {Slowdown of solvent structural dynamics in aqueous DMF solutions}, journal = {Chemical Physics Impact}, volume = {9}, year = {2024}, month = {DEC}, abstract = {

This study presents a comprehensive investigation into the molecular dynamics of solvation environments through an integrated approach combining Fourier-transform infrared (FTIR) spectroscopy, molecular dynamics (MD) simulations, and two-dimensional infrared (2D IR) spectroscopy. We explore the solvation of an ionic solute (ammonium thiocyanate) in various solvent systems, including N,N-dimethylformamide (DMF), water, and a 0.5 mole fraction of DMF in water, aiming to unravel the intricate interplay between solute-solvent interactions and solvent dynamics across diverse solvation environments. By integrating FTIR spectral analysis with radial distribution functions and coordination numbers obtained from MD simulations, we decipher the solvent composition around the solute molecule. Analysis of 2D IR spectra and hydrogen bond, as well as dipolar autocorrelation function from MD simulations, further elucidates the nuances of solute-solvent interactions, highlighting the impact of solvent dynamics on solvation structures. Our results reveal a significant slowdown of the solvent structural dynamics in the equimolar binary solvent mixture compared to the neat solvents. This slowdown underscores the complex relationship between solute-solvent interactions and solvent dynamics. The integration of FTIR, MD simulations, and 2D IR spectroscopy provides a unified framework for obtaining a holistic understanding of solvation dynamics, offering valuable insights into the underlying molecular mechanisms governing solute-solvent interactions in complex systems. These results pave the way for future studies to delve deeper into the molecular intricacies of solvation phenomena.

}, doi = {https://doi.org/10.1016/j.chphi.2024.100711}, author = {Pathania, Akhil and Bagchi, Sayan} } @article {49241, title = {Solution-phase ligand engineering for all-quantum-dot near-infrared light-emitting diodes}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {APR }, pages = {9126-9135}, type = {Article}, abstract = {

Strong emission over a wide near-infrared (NIR) region makes lead sulfide quantum dots (QDs) a preferred material in building NIR light-emitting diodes (NIR-LEDs) for numerous applications. Narrow-bandgap emitter QDs blended in the matrix of high-band gap QDs offer a simple yet powerful architectural platform for building high-performance NIR-LEDs. So far, the all-QD-based blend architecture has been realized using a poorly controlled solid-state ligand exchange approach. Advanced solution-phase ligand exchange, which offers greater control over surface passivation, is yet to be realized in all-QD LED device construction. We observe that the solution-phase ligand exchange from the optimized lead halide and thiol ligand combination, used in high-performing QD solar cell construction, is inefficient in realizing efficient all-QD LEDs, which could have restricted the adoption of the solution-phase ligand exchange thus far. Here, we introduce an innovative dual-ligand strategy to build all-QD-based NIR-LEDs using an advanced solution-phase ligand exchange approach. Through ligand engineering of matrix QDs, we managed to improve photoluminescence quantum yield (40\%), reduce trap density (10(14) cm(-3)), and prolong carrier lifetime (832 ns). The LED devices benefit from improved electronic properties and balanced carrier injection to yield 6\% EQE and 7.7\% PCE, which are six times higher than those of state-of-the-art ligands.

}, keywords = {electroluminescence, lead sulfide, ligand passivation, light-emitting diodes, near-infrared, quantumdots}, doi = {10.1021/acsanm.4c00634}, author = {Biswas, Arindam and Mitra, Anurag and Sharma, Ashish and Shinde, Dipak Dattatray and Dambhare, V. Neha and Sharma, Anjali and Mahajan, Chandan and Rath, Arup K.} } @article {49184, title = {Solvation dynamics and microheterogeneity in deep eutectic solvents}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {DEC}, pages = {12669-12684}, type = {Review}, abstract = {

Deep eutectic solvents have attracted considerable attention due to their unique properties and their potential to replace conventional solvents in diverse applications, such as catalysis, energy storage, and green chemistry. However, despite their broad use, the microscopic mechanisms governing solvation dynamics and the role of hydrogen bonding in deep eutectic solvents remain insufficiently understood. In this article, we present our contributions toward unravelling the micro heterogeneity within deep eutectic solvents by combining vibrational Stark spectroscopy and two-dimensional infrared spectroscopy with molecular dynamics simulations. Our findings demonstrate how the composition, constituents, and addition of water significantly influence the heterogeneous hydrogen bonding network and solvent dynamics within these systems. These insights provide valuable guidance for the design of next-generation solvents tailored to specific applications. By integrating experimental and computational approaches, this work sheds light on the intricate relationship between solvation dynamics and nanostructure in deep eutectic solvents, ultimately paving the way for innovative advances in solvent design.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c06295}, author = {Chatterjee, Srijan and Chowdhury, Tubai and Bagchi, Sayan} } @article {49060, title = {Solvatochromism and side chain effects on the morphological behavior of bodipy-alt-i-Indigo copolymers }, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {APR}, pages = {6954-6964}, type = {Article}, abstract = {

Among the factors that govern the self-assembly of a molecular system, side chains and solvent polarity play crucial roles in the morphological alteration of small molecules in solutions. Although the effect of side chains on the self-assembly of small molecules has been studied well, reports on their importance in the aggregation behavior of polymers are limited. Investigating whether a minor change in the side chain produce any significant impact on the morphology of the polymer in solution is of great research interest. Towards the end goal, to alter the morphology of polymers and to know the impact of the side chains on the self-assembly properties of the conjugated polymers, two BODIPY-i-Indigo alternating copolymers, P1 [poly(BDP12-alt-iI)] and P2 [poly(BDPE-alt-iI)], were synthesized, and their aggregation behavior was explored in various solvents. Both the copolymers, P1 and P2, exhibited narrow PDI values of 1.16 and 1.45, respectively. Although their cores are the same, P1 showed a thin film morphology, while P2 displayed a porous morphology (approximately 557 nm) in chloroform. On changing the solvent, P1 showed a porous morphology in a 50\% THF-CHCl3 mixture. However, in P2, the pores were reduced to extremely small sizes in the 50\% THF-CHCl3 mixture. This work demonstrates that even a minimal change in the side chains of copolymers and polarity differences between solvents can produce a drastic morphological effect.

}, issn = {1144-0546}, doi = {10.1039/d3nj04728h}, author = {Singh, Anup Kumar and Swain, Gitanjali and Birajdar, Sarika} } @article {49269, title = {Solvent-free hydroxylation of unactivated C-H bonds in small molecules and macromolecules by a Fe complex}, journal = {ACS CATALYSIS}, volume = {14}, year = {2024}, month = {APR }, pages = {7173-7181}, keywords = {Ball milling, solid-state C-H hydroxylation}, issn = {2155-5435}, doi = {10.1021/acscatal.4c00775}, author = {Chatterjee, Debasmita and Sajeevan, Amritha and Jana, Sandipan and Birajdar, Rajkumar S. and Chikkali, Samir H. and Sivaram, Swaminathan and Sen Gupta, Sayam} } @article {49196, title = {Solvent-free organic liquids: an efficient fluid matrix for unexplored functional hybrid materials}, journal = {Accounts of Chemical Research}, volume = {57}, year = {2024}, month = {FEB}, pages = {670-684}, type = {Review}, abstract = {

The invention of solvent-free organic liquids (SOLs) was serendipitous. However, the curiosity-driven research in the later stage delivered new soft materials with exciting optical, and optoelectronic properties along with appealing physical characteristics suitable for the futuristic applications. A slight change in the molecular design resulted in a drastic change in the physical state of molecules demonstrating monomer-like features in the bulk. The basic idea of core isolation has been successful in delivering new SOLs with attractive functional properties. The unique fluid matrix associated with SOLs offers a tremendous opportunity for making hybrid materials by simple mixing. The chance to study the fundamentally important electron transfer, energy transfer, charge transfer interactions, triplet-state emissions, and even detailed NMR experiments in the solvent-free neat state is the major attraction of SOLs. Usually, solvents and their polarity control such molecular properties, and in the case of SOLs, it avoids the use of solvents to study such fundamentally important properties. Besides, SOLs protect the triplet emitters and excited state processes involving triplet states from quenchers and make the analysis possible under ambient conditions. Our effort in this direction was focused on tuning the ground and excited state properties by transforming conventional organic molecules to SOLs and further value addition by preparing the hybrid SOLs. We developed a series of hybrid SOLs, exploring room-temperature phosphorescence, thermally activated delayed fluorescence, charge or energy transfer between donor and acceptor SOLs, selective explosive sensing, etc. A slight variation in the chemical structure or optoelectronic properties of the individual components imparted exciting optical features for the hybrid SOLs. It includes nonemissive charge transfer, tunable emission exciplex, room temperature phosphorescence, and thermally activated delayed fluorescence SOLs. The liquid matrix of donor SOLs accommodated varying amounts of acceptor SOLs to tune the ground and excited state features. In all examples of donor-acceptor-based hybrid SOLs, even a low amount of acceptor, such as a donor-acceptor ratio of 1000:1, can cause pronounced optical properties. Hence, the evaluation of the optical properties of SOLs, especially, in the absence of solvents is so special that it avoids the interference of solvent molecules. Still, the major drawback of SOLs remains unsolved until we report polymerizable SOLs. Although a large variety of SOLs have been reported in the literature, the long-lasting problem of surface stickiness of SOLs was resolved by polymerizable SOLs. It enabled the development of flexible, foldable, and stretchable large-area luminescent films suitable for lighting and display devices. In this Account, we summarize our work on SOLs, hybrid SOLs, polymerizable SOLs, and the application of SOLs in selective sensing of explosives. Finally, an outlook on the feasibility of luminescent polymerizable SOLs in futuristic applications is provided.

}, issn = {0001-4842}, doi = {10.1021/acs.accounts.3c00670}, author = {Wakchaure, Vivek Chandrakant and Channareddy, Goudappagouda and Babu, Sukumaran Santhosh} } @article {49193, title = {Steroidal scaffold decorations in Solanum alkaloid biosynthesis}, journal = {Molecular Plant}, volume = {17}, year = {2024}, month = {AUG }, pages = {1236-1254}, type = {Article}, abstract = {

Steroidal glycoalkaloids (SGAs) are specialized metabolites produced by hundreds of Solanum species, including important vegetable crops such as tomato, potato, and eggplant. Although it has been known that SGAs play important roles in defense in plants and {\textquoteleft}{\textquoteleft}anti-nutritional{\textquoteright}{\textquoteright}effects (e.g., toxicity and bitterness) to humans, many of these molecules have documented anti-cancer, anti-microbial, antiinflammatory, anti-viral, and anti-pyretic activities. Among these, a-solasonine and a-solamargine isolated from black nightshade (Solanum nigrum) are reported to have potent anti-tumor, anti-proliferative, and anti-inflammatory activities. Notably, a-solasonine and a-solamargine, along with the core steroidal aglycone solasodine, are the most widespread SGAs produced among the Solanum plants. However, it is still unknown how plants synthesize these bioactive steroidal molecules. Through comparative metabolomictranscriptome-guided approach, biosynthetic logic, combinatorial expression in Nicotiana benthamiana, and functional recombinant enzyme assays, here we report the discovery of 12 enzymes from S. nigrum that converts the starting cholesterol precursor to solasodine aglycone, and the downstream a-solasonine, a-solamargine, and malonyl-solamargine SGA products. We further identified six enzymes from cultivated eggplant that catalyze the production of a-solasonine, a-solamargine, and malonyl-solamargine SGAs from solasodine aglycone via glycosylation and atypical malonylation decorations. Our work provides the gene tool box and platform for engineering the production of high-value, steroidal bioactive molecules in heterologous hosts using synthetic biology.

}, keywords = {a-solamargine, Biosynthetic pathway, malonyl-solamargine, Solanum, Specialized metabolites, steroidal glycoalkaloids}, issn = {1674-2052}, doi = {10.1016/j.molp.2024.06.013}, author = {Lucier, Rosalind and Kamileen, Mohamed O. and Nakamura, Yoko and Serediuk, Sofiia and Barbole, Ranjit and Wurlitzer, Jens and Kunert, Maritta and Heinicke, Sarah and O{\textquoteright}Connor, Sarah E. and Sonawane, Prashant D.} } @article {49275, title = {Strategies employing transition-metal free conditions for C-C bond formation in indoles}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {SEP}, pages = {e202403280}, type = {Review}, abstract = {

Indole motifs are omnipresent in nature and can be found in many natural products as well as pharmaceuticals. It is for this reason synthetic transformations of indole have become a topic of interest for the organic and medicinal chemist community for decades. In this review, we have emphasized the functionalization of indoles via transition-metal-free approaches. This review touches on many aspects in different sub-sections, which gives a proposition of the tactics employed for the functionalization of indoles and an overview of the road ahead. In this review, essentially transition-metal-free conditions for C-C bond formation reactions in indoles has been explored. This review describes various approaches of functionalization at the C-2, C-3, C-4 and C-7 position of indoles which comprises arylation, alkenylation, acylation, formylation, alkylation, bisindolyl and cyclization strategies. Also, strategies incorporating N-alkylation/arylation has also been covered. image

}, keywords = {Alkylation, Arylation, formylation, Indole, transition-metal free}, issn = {2365-6549}, doi = {10.1002/slct.202403280}, author = {Ghodake, Balaji M. and Paul, Sayantan and Bhattacharya, Asish K.} } @article {49297, title = {Structural basis for a two-dimensional flexible pharmaceutical solvate crystal: indomethacin methanol}, journal = {CrystEngComm}, volume = {26}, year = {2024}, month = {OCT}, pages = {5694-5698}, type = {Article}, abstract = {

We report the first two-dimensionally (2D) elastically bendable and twistable pharmaceutical-solvate crystal, indomethacin methanol. Its flexibility is due to interlocked packing and a structural buffer acting like isotropic interactions. For the first time, we utilized Raman spectroscopy on the two elastic faces of a bent crystal region, revealing the inhomogeneous molecular distribution in the crystal structure during bending and validating the mechanistic model of the 2D elastic crystal. We present the first 2D elastic pharmaceutical-solvate crystal and utilized Raman spectroscopy to reveal inhomogeneous lattice distribution during bending.

}, doi = {10.1039/d4ce00920g}, author = {Bhowmik, Aritra and Bamane, Sanjivani and Mishra, Manish Kumar} } @article {49284, title = {Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties}, journal = {CRYSTENGCOMM}, volume = {26}, year = {2024}, month = {NOV }, pages = {6260-6268}, type = {Journal Article}, keywords = {PHARMACEUTICAL COCRYSTAL, SEROTONIN, SHYDROCHLOROTHIAZIDE, solubility}, doi = {10.1039/d4ce00738g}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu} } @article {49234, title = {Structural origin of relaxation in dense colloidal suspensions}, journal = {PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA}, volume = {121}, year = {2024}, month = {OCT }, type = {Journal Article}, keywords = {DEFORMATION, flow, glass-transition, ORDER, SOFT}, issn = {0027-8424}, doi = {10.1073/pnas.2405515121}, author = {Sahu, Ratimanasee and Sharma, Mohit and Schall, Peter and Bhattacharyya, Sarika Maitra and Chikkadi, Vijayakumar} } @article {49285, title = {Structure of epoxide hydrolase 2 from Mangifera indica throws light on the substrate specificity determinants of plant epoxide hydrolases}, journal = {Biochemical and Biophysical Research Communications}, volume = {733}, year = {2024}, month = {NOV }, pages = {150444}, type = {Article}, abstract = {

Epoxide hydrolases (EHs) are a group of ubiquitous enzymes that catalyze hydrolysis of chemically reactive epoxides to yield corresponding dihydrodiols. Despite extensive studies on EHs from different clades, generic rules governing their substrate specificity determinants have remained elusive. Here, we present structural, biochemical and molecular dynamics simulation studies on MiEH2, a plant epoxide hydrolase from Mangifera indica. Comparative structure-function analysis of nine homologs of MiEH2, which include a few AlphaFold structural models, show that the two conserved tyrosines (MiEH2Y152 and MiEH2Y232) from the lid domain dissect substrate binding tunnel into two halves, forming substrate-binding-pocket one (BP1) and two (BP2). This compartmentalization offers diverse binding modes to their substrates, as exemplified by the binding of smaller aromatic substrates, such as styrene oxide (SO). Docking and molecular dynamics simulations reveal that the linear epoxy fatty acid substrates predominantly occupy BP1, while the aromatic substrates can bind to either BP1 or BP2. Furthermore, SO preferentially binds to BP2, by stacking against catalytically important histidine (MiEH2H297) with the conserved lid tyrosines engaging its epoxide oxygen. Residue (MiEH2L263) next to the catalytic aspartate (MiEH2D262) modulates substrate binding modes. Thus, the divergent binding modes correlate with the differential affinities of the EHs for their substrates. Furthermore, long-range dynamical coupling between the lid and core domains critically influences substrate enantioselectivity in plant EHs.

}, keywords = {Enantioselectivity, Epoxide hydrolase, molecular dynamics simulation, Regioselectivity, X-ray crystallography}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2024.150444}, author = {Bhoite, Ashwini and Gaur, Neeraj K. and Palange, Megha and Kontham, Ravindar and Gupta, Vidya and Kulkarni, Kiran} } @article {49114, title = {Surface electronic properties-driven electrocatalytic nitrogen reduction on metal-conjugated porphyrin 2D-MOFs}, journal = {ACS Applied Materials and Interfaces}, volume = {16}, year = {2024}, month = {FEB }, pages = {8707-8716}, type = {Article}, abstract = {

Two-dimensional (2D) metal organic framework (MOF) or metalloporphyrin nanosheets with a stable metal-N-4 complex unit present the metal as a single-atom catalyst dispersed in the 2D porphyrin framework. First-principles calculations on the 3d-transition metals in M-TCPP are investigated in this study for their surface-dependent electronic properties including work function and d-band center. Crystal orbital Hamiltonian population (-pCOHP) analysis highlights a higher contribution of the bonding state in the M-N bond and antibonding state in the N-N bond to be essential for N-N bond activation. A linear relationship between Delta G(max) and surface electronic properties, N-N bond strength, and Bader charge has been found to influence the rate-determining potential for nitrogen reduction reaction (NRR) in M-TCPP MOFs. 2D Ti-TCPP MOF, with a kinetic energy barrier of 1.43 eV in the final protonation step of enzymatic NRR, shows exclusive NRR selectivity over competing hydrogen reduction (HER) and nitrogenous compounds (NO and NO2). Thus, Ti-TCPP MOF with an NRR limiting potential of -0.35 V in water solvent is proposed as an attractive candidate for electrocatalytic NRR.

}, keywords = {Density Functional Theory (DFT), electrocatalytic nitrogen reductionreaction, kinetic energy barrier, limitingpotential, Metalloporphyrin, NRR selectivity}, issn = {1944-8244}, doi = {10.1021/acsami.3c16406}, author = {Maibam, Ashakiran and Orhan, Ibrahim B. and Krishnamurty, Sailaja and Russo, Salvy P. and BabaRao, Ravichandar} } @article {49387, title = {Sustainable bioprocess technology for producing food-flavour (+)-γ-decalactone from castor oil-derived ricinoleic acid using enzymatic activity of Candida parapsilosis: Scale-up optimization and purification using novel composite}, journal = {Journal of Biotechnology}, volume = {393}, year = {2024}, month = {SEP}, pages = {17-30}, type = {Article}, abstract = {

Ricinoleic acid (RA) from castor oil was employed in biotransformation of peach-flavoured gamma-decalactone (GDL), using a Candida parapsilosis strain (MTCC13027) which was isolated from waste of pineapple crown base. Using four variables-pH, cell density, amount of RA, and temperature-the biotransformation parameters were optimized using RSM and BBD. Under optimized conditions (pH 6, 10 \% of microbial cells, 10 g/L RA at 28 degrees C), the conversion was maximum and resulted to 80 \% (+)-GDL (4.4 g/L/120 h) yield in shake flask (500 mL). Furthermore, optimization was achieved by adjusting the aeration and agitation parameters in a 3 L bioreactor, which were then replicated in a 10 L bioreactor to accurately determine the amount of (+)-GDL. In bioreactor condition, 4.7 g/L (\>85 \%) of (+)-GDL is produced with 20 \% and 40 \% dissolved oxygen (1.0 vvm) at 150 rpm in 72 h and 66 h, respectively. Further, a new Al-Mg-Ca-Si composite column-chromatography method is developed to purify enantiospecific (+)-GDL (99.9 \%). This (+)-GDL is 100 \% nature-identical as validated through 14C-radio-carbon dating. Thorough chemical investigation of enantiospecific (+)-GDL is authenticated for its use as flavour. This bioflavour has been developed through a cost-effective biotechnological process in response to the demand from the food industry on commercial scale.

}, keywords = {(+)-gamma-Decalactone, Al-Mg-Ca-Si composite, Bioflavour, Candida parapsilosis, castor oil, Food-waste}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2024.07.011}, author = {Syed, Naziya and Singh, Suman and Chaturvedi, Shivani and Kumar, Prashant and Kumar, Deepak and Jain, Abhinav and Sharma, Praveen Kumar and Nannaware, Ashween Deepak and Chanotiya, Chandan Singh and Bhambure, Rahul and Kumar, Pankaj and Kalra, Alok and Rout, Prasant Kumar} } @article {49424, title = {Synergistic combination of ZnCl2/Cu-BTC MOF for the photocatalytic oxidative deamination of benzylamines using CO2 under visible-light irradiation}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {JUL}, pages = {2095{\textendash}2101}, type = {Article}, abstract = {

This paper demonstrates the first CO2-mediated oxidative deamination of benzylamines to benzaldehydes using a combination of ZnCl2\ and Cu-BTC MOF as photocatalysts in a carbon tetrachloride solvent under visible-light irradiation. Interestingly, the synergistic combination of ZnCl2\ and Cu-BTC afforded the targeted oxidation of benzylamine to benzaldehyde, wherein CO2\ acted as an oxidant. The individual components yielded the corresponding imine as the main product, resulting from the oxidative coupling of the benzylamine. DFT calculations and computational studies supported the proposed reaction pathways involving the formation of an intermediate imine from benzylamine via dehydrogenation followed by hydrolysis to produce benzaldehyde. This work, demonstrating the use of CO2\ as an oxidant, may open up new avenues for CO2\ utilization in chemical production by using sustainable light energy.

}, doi = {https://doi.org/10.1021/acsaenm.4c00251}, author = {Kumar, Amod and Bhatt, Sakshi and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Jain, Suman L.} } @article {49340, title = {Synergistic effect of lactam and pyridine nitrogen on polysulfide chemisorption and electrocatalysis in lithium sulfur batteries}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {AUG }, pages = {42059-42068}, keywords = {Li-S battery, phenyl-diketopyrrolopyrrole, pyridine-diketopyrrolopyrrole}, issn = {1944-8244}, doi = {10.1021/acsami.4c05128}, author = {Javaregowda, Bharathkumar H. and Kargude, Radhakisan and Birajdar, Sarika and Shivankar, Bhavana and Krishnamurty, Sailaja and Jones, Lathe A. and Caruso, Rachel A. and Krishnamoorthy, Kothandam} } @article {49207, title = {Synergistic humidity-responsive mechanical motion and proton conductivity in a cationic covalent organic framework}, journal = {CHEM}, volume = {10}, year = {2024}, month = {AUG }, type = {Journal Article}, keywords = {ACTUATORS, Crystalline, DRIVEN, SOFT}, issn = {2451-9294}, doi = {10.1016/j.chempr.2024.04.018}, author = {Das, Gobinda and Shinde, Dhanraj B. and Melapurakkal, Amrutha and Shelke, V, Manjusha and Garai, Bikash and Bazin, Philippe and Blal, Abdelhafid Ait and Benyettou, Farah and Prakasam, Thirumurugan and Halim, Rasha Abdul and Ibrahim, Fayrouzabou and Sharma, Sudhir Kumar and Varghese, Sabu and Weston, James and Jagannathan, Ramesh and Addicoat, Matthew A. and Gandara, Felipe and Olson, Mark A. and El-Roz, Mohamad and Trabolsi, Ali} } @article {48983, title = {Synthesis and antimicrobial evaluation of novel 2{\textquoteright}-aryl-4-aryl-2,4{\textquoteright}-Bisthiazole and 2{\textquoteright}-aryl-4-Pyridyl-2,4{\textquoteright}-bisthiazole derivatives as potential antibacterial agents}, journal = {Polycyclic Aromatic Compound }, volume = {44}, year = {2024}, month = {FEB }, pages = {773-787}, type = {Article}, abstract = {

In continuation of our research work to explore bisthiazole derivatives as potential antimicrobial agents, herein we reported the synthesis of a series of novel 2{\textquoteright}-aryl-4-aryl-2,4{\textquoteright}-bisthiazole (7a-t) and 2{\textquoteright}-aryl-4-pyridyl-2,4{\textquoteright}-bisthiazole (9a-l) by cyclocondensation of 2-aryl thiazole-4-carbothioamide 5a-d with 2-bromo-1-arylethanone (6a-e) and bromo-1-(pyridin-2/3/4-yl)ethanone (8a-c), respectively. These novel candidates were evaluated in vitro for their antibacterial potential against four pathogenic bacteria, Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), and Bacillus subtilis (NCIM 2162). The synthesized compounds were also screened for their in vitro antifungal activity against Candida albicans (NCIM 3100). Among them, compounds 7b, 9d, 9 g, 9i, and 9 l exhibited excellent antibacterial activity with MIC 2.1 to 12.3 mu g/mL against all tested strains. Most of the compounds reported moderate antifungal activity. The pyridine ring-substituted bisthiazole reported good to excellent antibacterial activity as compared to phenyl ring-substituted bisthiazole. The potential antibacterial activity suggested that bisthiazole derivatives could assist in the development of lead compounds to treat microbial infections.

}, keywords = {24{\textquoteright}-bisthiazole, antibacterial activity, Antifungal activity, cyclocondensation}, issn = {1040-6638}, doi = {10.1080/10406638.2023.2180524}, author = {Nalawade, Jitendra and Shinde, Abhijit and Abhale, Yogita K. and Nandurkar, Yogesh and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {49328, title = {Synthesis and processing strategy for high-bandgap PbS quantum dots: a promising candidate for harvesting high-energy photons in solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {16}, year = {2024}, month = {AUG }, pages = {42522-42533}, type = {Article}, abstract = {

The wide tunability of the energy bandgap of colloidal lead sulfide (PbS) quantum dots (QDs) has uniquely positioned them for the development of single junction and tandem solar cells. While there have been substantial advancements in moderate and narrow bandgap PbS QDs-ideal for single junction solar cells and the bottom cell in tandem solar cells, respectively; progress has been limited in high-bandgap PbS QDs that are ideally suited for the formation of the top cell in tandem solar cells. The development of appropriate high bandgap PbS QDs would be a major advancement toward realizing efficient all-QD tandem solar cells utilizing different sizes of PbS QDs. Here, we report a comprehensive approach encompassing synthetic strategy, ligand engineering, and hole transport layer (HTL) modification to implement high-bandgap PbS QDs into solar cell devices. We achieved a greater degree of size homogeneity in high-bandgap PbS QDs through the use of a growth retarding agent and a partial passivation strategy. By adjusting the ligand polarity, we successfully grow HTL over the QD film to fabricate solar cells. With the aid of an interface modifying layer, we incorporated an organic HTL for the realization of high-performance solar cells. These solar cells exhibited an impressive open-circuit voltage of 0.824 V and a power conversion efficiency of 10.7\%, marking a 360\% improvement over previous results.

}, keywords = {charge transport, lead sulfide, ligand passivation, quantum dots, solar cell}, issn = {1944-8244}, doi = {10.1021/acsami.4c09364}, author = {Shinde, Dipak Dattatray and Sharma, Anjali and Dambhare, Neha V. and Mahajan, Chandan and Biswas, Arindam and Mitra, Anurag and Rath, Arup K.} } @article {49626, title = {Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth--oxy-phen-yl)picolinamide}, journal = {Acta Crystallographica Section E: Crystallographic Communications}, volume = {80}, year = {2024}, month = {DEC}, pages = {1293-1297}, type = {Article}, abstract = {

The synthesis,\ crystal structure,\ and Hirshfeld surface analysis of\ N-(4-meth-oxy-phen-yl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic\ space groupP21/n, with a single mol-ecule in the\ asymmetric unit.\ Structural analysis reveals that all non-hydrogen atoms are nearly coplanar, and the mol-ecule exhibits two intra-molecular hydrogen bonds that stabilize its conformation. Supra-molecular features include significant inter-molecular inter-actions, primarily C{\textemdash}H...π\ and various hydrogen bonds, contributing to the overall crystal cohesion, as confirmed by energy framework calculations yielding a total inter-action energy of -138.3 kJ mol-1. Hirshfeld surface analysis indicates that H...H inter-actions dominate, followed by C...H and O...H inter-actions, highlighting the role of\ van der Waals forces\ and hydrogen bonding in crystal packing.

}, doi = {https://doi.org/10.1107/S2056989024010843}, author = {Burieva, Dilnoza and Torambetov, Batirbay and Bobonazarova, Sarvinoz and Abdushukurov, Anvar and Kholikov, Tursinali and Khan, Akram A and Ashurov, Jamshid and Yusufov, Mukhriddin} } @article {49211, title = {Synthesis of Hofmann-based metal-organic frameworks incorporating a bis-pyrazole linker for various gas separations}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {12}, year = {2024}, month = {JUN 25}, pages = {15106-15114}, type = {Journal Article}, keywords = {acetylene, C2H2/CH4, Ni, Purification, SPIN-CROSSOVER BEHAVIOR}, issn = {2050-7488}, doi = {10.1039/d4ta00507d}, author = {Matthews, Brooke L. and Harvey-Reid, Nathan C. and Jangodaz, Elnaz and Scott, Victoria-Jayne and Polson, Matthew I. J. and Maibam, Ashakiran and BabaRao, Ravichandar and Telfer, Shane G. and Kruger, Paul E.} } @article {49649, title = {Synthesis of imine-phenoxy ligated palladium complexes for norbornene homopolymerization}, journal = {Inorganic Chemistry}, volume = {64}, year = {2024}, month = {DEC }, pages = {25-36}, type = {Article}, abstract = {

Metal complexes with tunable ligands play a crucial role in olefin polymerization and impart control over molecular weight, crystallinity, and stereoregularity. We report the single-step synthesis of imine-phenoxy ligands in excellent yields (81-93\%). The identity of electronically tuned imine-phenoxy ligands was unambiguously ascertained by using a combination of spectroscopic and analytical methods. These ligands were treated with [Pd(COD)MeCl] in the presence of 2,6-lutidine, resulting in the formation of discrete mononuclear palladium complexes Pd1-Pd4 in excellent yields. 1-2D NMR spectroscopy, mass spectrometry analysis, and single-crystal X-ray diffraction confirmed the identity of the palladium complexes. X-ray analysis revealed a distorted square planar geometry around the palladium center. Proton NMR analysis suggested that the Pd1 catalyst was deshielded, indicating electronically deficient palladium metal compared to the other complexes. Moreover, the Pd1 catalyst showed the highest buried volume percentage (\%Vbur = 44.9). When exposed to norbornene, Pd1-Pd4 were found to be active and produced poly(norbornene) (PNB). High-temperature SEC analysis revealed that the electronically deficient and sterically hindered Pd1 catalyst produced the highest molecular weight polymer (PNB 37.4 kDa). Boron and aluminum-based cocatalysts were screened, and MMAO was found to outperform others with high catalytic activity (up to 63.2 x 105 g of PNB (mol Pd)-1 h-1).

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.4c04117}, author = {Birajdar, Rajkumar S. and Gupta, Poonam and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {49646, title = { Synthesis of quinazolinone based spirocyclopropanes via [3?+?2] cycloaddition reaction: in silico anti-tubercular molecular docking studies and ADME prediction}, journal = {Polycyclic Aromatic Compounds}, volume = {44}, year = {2024}, month = {SEP}, type = {Article}, abstract = {

A highly efficient cascade annulation approach is developed for the synthesis of novel quinazolinone-based spirocyclopropanes\ via\ three-component [3 + 2] cycloaddition reaction with aldehydes, tosylhydrazide and quinazolinyl chalcones. The reaction features the formation of two C{\textendash}C bonds and three stereogenic centers. A variety of highly functionalized spirocyclopropyl quinazolinones were obtained in good yields under mild reaction conditions. Furthermore,\ in silico\ anti-tubercular (anti-TB) molecular docking studies were performed for the generated compounds against three Mycobacterium tuberculosis proteins with PDBID: 1DF7, 1P44 and 4TZK. ADME prediction were evaluated for the drug like properties of the synthesized compounds.

}, doi = {https://doi.org/10.1080/10406638.2023.2257838}, author = {Allaka, Bhargava Sai and Kanchrana, Madhu and Gamidi, Rama Krishna and Basavoju, Srinivas} } @article {49248, title = {Synthesis of Ti1-xWx solid solution MAX phases and derived MXenes for sodium-ion battery anodes}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {Behavior, CARBIDE MXENE, INTERCALATION MECHANISM, TI}, issn = {1616-301X}, doi = {10.1002/adfm.202406499}, author = {Ratzker, Barak and Favelukis, Bar and Baranov, Mark and Rathod, Yugal and Greenberg, Avia and Messer, Or and Goldstein, Dor A. and Upcher, Alexander and Ezersky, Vladimir and Maman, Nitzan and Biran, Ido and Natu, Varun and Sokol, Maxim} } @article {49318, title = {Tailoring helical ends of π-extended [6]heterohelicenes to control optical, and electrochemical features}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {OCT }, pages = {11944-11947}, type = {Article}, abstract = {

The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with lateral pi-extensions. Here, we report the synthesis and physicochemical characterization of expanded hetero[6]helicenes fused with thiadiazole and selenadiazole rings at the helical ends. Comparing these heterohelicenes revealed the impact of the heteroatom-embedded aromatic rings on the excited state and redox features. A small structural variation of the terminal rings from thiadiazole to selenadiazole caused a striking change in the heterohelical nanographenes. The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with heteroatoms.

}, issn = {1359-7345}, doi = {10.1039/d4cc03707c}, author = {Kumar, Viksit and Dongre, Sangram D. and Venugopal, Geethu and Narayanan, Aswini and Babu, Sukumaran Santhosh} } @article {49388, title = {Temperature-controlled hydrothermal synthesis of α-MnO2 nanorods for catalytic oxidation of cyclohexanone}, journal = {CHEMPLUSCHEM}, volume = {89}, year = {2024}, month = {JUL}, type = {Journal Article}, keywords = {Adipic Acid, conversion, MANGANESE OXIDES}, issn = {2192-6506}, doi = {10.1002/cplu.202300589}, author = {Jha, Ratnesh Kumar and Manikandan, Marimuthu and Prabu, Marimuthu and Vineeth, Nidhi R. and Dharmalingam, Praveen and Archana, Ramakrishnan and Harsha, Murudappa and Shankar, Sonu Ram and Bhatte, Kushal and Raja, Thirumalaiswamy} } @article {49195, title = {Transient Electro-Graphitization of MOFs Affecting the Crystallization of Ruthenium Nanoclusters for Highly Efficient Hydrogen Evolution}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {AUG}, type = {Journal Article}, keywords = {amorphous ruthenium, crystallization control, graphitic nanostructure}, issn = {1616-301X}, doi = {10.1002/adfm.202315460}, author = {Karim, Golam Masud and Patra, Amalika and Deb, Sujit Kumar and Upadhya, Hemanta and Das, Snehasish and Mukherjee, Priyam and Ahmad, Waleed and Barman, Narad and Thapa, Ranjit and Dambhare, V, Neha and Rath, Arup Kumar and Das, Jaysri and Manna, Uttam and Urkude, Rajashri R. and Oh, Youngtak and Maiti, Uday Narayan} } @article {49392, title = {{\textquoteleft}Turning on{\textquoteright} to glutathione: a rhodamine-based fluorescent chemodosimeter with nanomolar sensitivity}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {OCT}, pages = {e202402943}, type = {Article}, abstract = {

A new colorimetric and fluorescence turn-on chemodosimeter for selective detection of GSH over Cys and Hcy with 34-fold enhancement in emission intensity is reported. Probe 1 exhibited ultra-sensitivity toward GSH with 0.125 nM detection limit and successfully displayed GSH detection in MCF-7 live cells. The mechanism of sensing is established by density functional theoretical calculations.

}, keywords = {Chemodosimeter, Fluorescence turn-on, GSH, MCF-7 cells, Rhodamine}, issn = {2365-6549}, doi = {10.1002/slct.202402943}, author = {Badekar, Pooja S. and Deo, Harshada S. and Varma, Mokshada E. and Kulkarni, Prasad P. and Maibam, Ashakiran and Krishnamurty, Sailaja and Kumbhar, Anupa A.} } @article {49247, title = {Tyramine-mediated hyperactivity modulates the dietary habits in Helicoverpa armigera}, journal = {JOURNAL OF CHEMICAL ECOLOGY}, volume = {50}, year = {2024}, month = {OCT}, pages = {453-464}, type = {Journal Article}, keywords = {amines, Behavior, dopamine, octopamine, RECEPTOR, sensitivity, SULFAKININ}, issn = {0098-0331}, doi = {10.1007/s10886-024-01515-9}, author = {Patil, Yogita P. and Gawari, Shyam K. and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {49090, title = {Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {JUN }, pages = {9970-9980}, type = {Article}, abstract = {

The aim of the study is to develop the synthesis of a novel series of potent anti-tubercular (anti-TB) activity of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives via an efficient green approach achieved by using an ionic liquid ([Bmim]BF4) under ultrasonication. The title compounds 4a-4ad with a general molecular formula CaHbX(0-2)NcOd (X = F/Cl/Br) were produced with high yields in shorter reaction time and well characterized by using spectral techniques; and finally single crystal X-ray diffraction method (4b). The newly synthesized compounds were evaluated for their in vitro anti-TB activity against Mycobacterium tuberculosis H37Rv strain. Among all, six compounds 4e (C36H29N5O4), 4g (C34H28N4O3), 4q (C36H28F2N4O2), 4r (C36H28ClFN4O2), 4y (C36H29BrN4O2) and 4z (C36H28BrFN4O2) exhibited significant anti-TB activity with MIC value 6.25 mu g mL-1, when compared to the standard drug ethambutol (MIC:1.56 mu g mL-1). In silico molecular docking studies were performed against M. tuberculosis enoyl-acyl carrier protein reductase inhibitor. The compounds 4o, 4p, 4y and 4aa were exhibited least binding energies -12.58, -12.61, -12.58 and -12.57 kcal mol-1, respectively. These results reveal that the produced compounds might be used for the future generation of novel anti-TB drugs. The study aims to develop and synthesis of a novel series of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives as potent anti-TB agents via an efficient green approach by using an ionic liquid ([Bmim]BF4) under ultrasonication.

}, issn = {1144-0546}, doi = {10.1039/d4nj00563e}, author = {Baddepuri, Sravanthi and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas} } @article {49437, title = {Unconventional hole doping of S = {\textonehalf} kagome antiferromagnet CoCu3(OH)6Cl2}, journal = {Advanced Physics Research}, volume = {3}, year = {2024}, month = {SEP}, type = {Article}, abstract = {

Geometrically perfect S = {\textonehalf} kagome lattices with frustrated magnetism are typically electrical insulators. Electron or hole doping is predicted to induce an exotic conducting state including superconductivity. Herein, an unconventional strategy of doping an S = {\textonehalf} kagome lattice CoCu3(OH)6Cl2\ is adopted {\textendash} a structural analogue of a well-known quantum spin liquid (QSL) candidate herbertsmithite (ZnCu3(OH)6Cl2) {\textendash} by integrating it with reduced graphene oxide (rGO) via in situ redox chemistry. Such an integration drastically enhances the electrical conductivity, resulting in the transformation of an insulator to a semiconductor, corroborating the respective density of states obtained from the density functional theory calculations. Estimation of the magnetic moments, data on the Hall-effect measurements, Bader charge analysis, and photoemission signals, altogether provide a bold signature of remote hole doping in CoCu3(OH)6Cl2\ by rGO. The remote doping provides an alternative to the site doping approach to impart exotic electronic properties in spin liquid candidates, specifically, the generation of topological states like Dirac metal is envisioned.

}, doi = {https://doi.org/10.1002/apxr.202400037}, author = {Mandal, Rimpa and Ninawe, Pranay and Ananthram, K. S. and Mhase, Akash and Gupta, Kriti and Saha, Sauvik and Ugale, Ajay and Singh, Kirandeep and Tarafder, Kartick and Ballav, Nirmalya} } @article {49279, title = {Uncovering diverse reactivity of NHCs withdiazoalkane: C-H activation, C=C bond formation,and access to N-heterocyclic methylenehydrazine}, journal = {Chemical Science}, volume = {15}, year = {2024}, month = {NOV}, pages = {18387-18394}, type = {Article}, abstract = {

N-heterocyclic carbenes (NHCs) have attracted significant attention due to their strong sigma-donating capabilities, as well as their transition-metal-like reactivity towards small molecules. However, their interaction with diazoalkanes remains understudied. In this manuscript, we explore the reactivity of a series of stable carbenes, encompassing a wide range of electronic properties, with Me3SiCHN2. 5-SIPr activates the C-H bond of Me3SiCHN2, resulting in the formation of a novel diazo derivative (1), while carbenes such as 5-IPr, 6-SIPr, and diamido carbene yield N-heterocyclic methylenehydrazine derivatives (3, 4, and 8). The reaction of Me3SiCHN2 with 5-ItBu unexpectedly leads to the formation of a triazole ring linked with the imidazole moiety via a CC double bond (6) alongside the azine product (7). Substituting the diazoalkane with diazoester consistently yields azine derivatives (9-12 and 14). Only in the case of 5-ItBu, an imidazolium salt with tetrazenide anion (13) was obtained as a side product. The reaction of 4 with HCl resulted in the desilylprotonation to form a salt, 5a, which undergoes deprotonation upon using bases such as Et3N and KHMDS to form N-heterocyclic methylene hydrazine, 5. Theoretical calculations have been conducted to elucidate the diverse mechanisms underlying product formation.

}, issn = {2041-6520}, doi = {10.1039/d4sc05740f}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49232, title = {Understanding in-vivo refolding of antibody fragments (Fab): Biosimilar Ranibizumab a case study}, journal = {PROCESS BIOCHEMISTRY}, volume = {146}, year = {2024}, month = {NOV}, pages = {484-497}, type = {Journal Article}, keywords = {CHERICHIA-COLI STRAINS, Disulfide bond formation, SOLUBLE RECOMBINANT PROTEINSES}, issn = {1359-5113}, doi = {10.1016/j.procbio.2024.09.027}, author = {Tungekar, Aatir A. and Fulewar, Padmaja and Kumthekar, Rupali and Bhambure, Rahul} } @article {49059, title = {Unraveling the cooperative mechanisms in ultralow copper-loaded WC@NGC for enhanced CO2 electroreduction to acetic acid}, journal = {Chemistry of Materials }, volume = {36}, year = {2024}, month = {MAR }, pages = {3464-3476}, type = {Article}, abstract = {

Electrochemical CO2 reduction reaction (eCO(2)RR) has been explored on tungsten carbide (WC) nanoparticles embedded on N-doped graphitic carbon (NGC), demonstrating excellent activity toward the formation of acetic acid at an extremely lower potential. The activity has been further enhanced by loading ultralow copper sites into the catalyst system, exhibiting 80.02\% Faradaic efficiency (FE) toward acetic acid at an applied potential of -0.3 V (vs RHE). Potential-dependent in situ infrared (IR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, ex situ extended X-ray absorption fine structure (EXAFS) studies, and computational analysis confirm that synergy between uniformly dispersed Cu atoms and WC lattice plays a crucial role in the formation of acetic acid with high FE at a lower potential. It has been observed that the W atom of WC strongly chemisorbs CO2 with a significant change in the C-O bond length and the O-C-O bond angle, in contrast to weaker adsorption on Cu-based catalyst surfaces. The presence of a Cu site enhances the adsorption of CO2, thereby increasing the possibility of C-C coupling kinetically. Most importantly, hydrogen evolution predominates on the catalyst{\textquoteright}s surface at higher applied potentials (-0.5 to -1.1 V vs RHE), elucidating the mechanism underlying enhanced charge transfer between copper and WC, a phenomenon ascertained through in situ IR spectroscopy and ex situ XPS analysis

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.4c00405}, author = {Bagchi, Debabrata and Riyaz, Mohd and Raj, Jithu and Roy, Soumyabrata and Singh, Ashutosh Kumar and Cherevotan, Arjun and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {49118, title = {Unveiling the cell wall-targeting mechanisms and multifaceted virulence modulation by a eugenol glycoconjugate against aspergillus fumigatus: insights from in vitro and in ovo studies}, journal = {Journal of Applied Macrobiology }, volume = {135}, year = {2024}, month = {JAN }, type = {Article}, abstract = {

Aim The primary objective of this study was to elucidate the putative cell wall-associated targets of compound 6i, a glycoconjugate of eugenol, in Aspergillus fumigatus, while also evaluating its toxicity and assessing histopathologic alterations in the liver, heart, and kidney of compound 6i-treated embryos using an in ovo model.Method To achieve this aim, compound 6i was synthesized, and a series of biochemical assays were performed to determine its impact on the fungal cell wall. Additionally, quantitative real time-PCR and liquid chromatography-mass spectrometry/mass spectrometry analyses were conducted to investigate changes in gene and protein expression profiles associated with melanin biosynthesis, conidiation, siderophore production, transcriptional regulation of beta-glucan biosynthesis, and calcineurin activity in A. fumigatus.Results The experimental findings revealed that compound 6i exhibited notable antifungal activity against A. fumigatus by perturbing cell wall integrity, hindering ergosterol, glucan, and chitin biosynthesis, and inhibiting catalase production. Moreover, relative gene expression and proteomic analyses demonstrated that compound 6i exerted both downregulatory and upregulatory effects on several crucial genes and proteins involved in the aforementioned fungal processes. Furthermore, increased expression of oxidative stress-related proteins was observed in the presence of compound 6i. Notably, the glycoconjugate of eugenol did not elicit cytotoxicity in the liver, heart, and kidney of chick embryos.Conclusion The current investigation elucidated the multifaceted mechanisms by which compound 6i exerts its antifungal effects against A. fumigatus, primarily through targeting cell wall components and signaling pathways. These findings underscore the potential of the eugenol glycoconjugate as a promising antifungal candidate, warranting further exploration and development for combating A. fumigatus infections.

}, keywords = {Aspergillus fumigatus, cell wall integrity, Eugenol, Glycoconjugate, Transcription regulators, Virulence}, issn = {1364-5072}, doi = {10.1093/jambio/lxae009}, author = {Gupta, Lovely and Verma, Shalini and Goswami, Lakshmi and Kamboj, Himanshu and Sen, Pooja and Bhattacharya, Asish K. and Vijayaraghavan, Pooja} } @article {49249, title = {Viscosity effects on the dynamics of diols and diol-based deep eutectic solvents}, journal = {Photochemistry and Photobiology}, volume = {100}, year = {2024}, month = {JUL}, pages = {946-955}, type = {Article}, abstract = {

Diols, characterized by the presence of two hydroxyl groups, form extended hydrogen-bonded networks. Increasing hydrocarbon chain length is known to elevate the viscosity of diols. Given the established influence of viscosity on solvent dynamics, it becomes imperative to comprehend the impact of viscosity on the fluctuation dynamics within diols and establish connections with hydrogen bond formation and breaking dynamics. In this study, we employ two-dimensional infrared spectroscopy to investigate the viscosity dependence of the structural evolution dynamics in three diols with varying chain lengths. Complementing our experimental approach, molecular dynamics simulations are conducted to extract hydrogen bond lifetimes. Our findings reveal a linear correlation between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. Notably, the selected diols exhibit the capability to form deep eutectic solvents upon mixing with choline chloride at specific molar ratios. In contrast to molecular solvents like diols, deep eutectic solvents are characterized by the formation of heterogeneous nanodomains, comprising various intercomponent hydrogen-bonded networks. Interestingly, our observations indicate that while the fluctuation dynamics decelerate with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is not linear, in contrast to the observed linearity in diols. This nuanced understanding contributes to the broader comprehension of the interplay between viscosity and dynamics in both molecular and deep eutectic solvents. We investigate the impact of viscosity on structural evolution dynamics in diols with varying chain lengths. Employing two-dimensional infrared spectroscopy and molecular dynamics simulations, we explore the relationship between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. We report a linear correlation in diols between viscosity, fluctuation timescales, and hydrogen bond lifetimes. Diols also form deep eutectic solvents, characterized by heterogeneous nanodomains. While fluctuation dynamics slow down with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is nonlinear, contrasting with diols{\textquoteright} linearity. This understanding enhances comprehension of viscosity-dynamics interplay in molecular and deep eutectic solvents.image

}, keywords = {Dynamics, Hydrogen bond, solvent, spectroscopy, viscosity}, issn = {0031-8655}, doi = {10.1111/php.13950}, author = {Chatterjee, Srijan and Deshmukh, Samadhan H. and Chowdhury, Tubai and Bagchi, Sayan} } @article {49026, title = {Visible light and pH-responsive star copolymer and doxorubicin-polymer conjugate micelles for combination drug delivery and bioimaging}, journal = {Journal of macromolecular science part A- pure and applied chemistry}, volume = {61}, year = {2024}, month = {FEB }, pages = {105-116}, type = {Article}, abstract = {

Amphiphilic 3-arm star copolymer containing visible light-cleavable BODIPY group and pH-responsive imine bonds at the junction of hydrophilic poly(ethylene glycol) (PEG) and two poly(epsilon-caprolactone) (PCL) arms was synthesized by the combination of ring-opening polymerization (ROP) and click chemistry. The formation and stimuli-responsive disruption of micelles were analyzed using dynamic light scattering and transmission electron microscopy. Dual stimuli-responsive release of anticancer drugs Doxorubicin (Dox) and Camptothecin (CPT) from the micelles was studied. Micellar assemblies containing Dox conjugated to PEG-BODIPY through imine bonds were prepared and controlled release of Dox in response to visible light and pH was shown. CPT and Dox-loaded star copolymer micelles as well as CPT loaded Dox-conjugated micelles were used in cellular uptake studies on MDA-MB 231 cells, and the synergistic effect of the two stimuli on the release of the two drugs was demonstrated inside the cells. Micellar assemblies also showed excellent bioimaging properties in the cellular uptake studies. [GRAPHICS]

}, keywords = {BODIPY, drug conjugate, micelles, pH-responsive, visible light-responsive}, issn = {1060-1325}, doi = {10.1080/10601325.2024.2302857}, author = {Basutkar, Nitin B. and Surapaneni, Sai Geetika and Alam, Md. Shafi and Ambade, Ashootosh V.} } @article {49120, title = {Visible light-assisted ferro-photocatalytic application of bismuth ferrite nanoparticles synthesized at low temperature}, journal = {Journal of Materials Science }, volume = {59}, year = {2024}, month = {JAN}, pages = {1513-1525}, type = {Article}, abstract = {

Polycrystalline nano-sized multiferroic bismuth ferrite was prepared by facile sole-gel method using acetic acid as a chelating agent followed by calcination at 450, 500, and 600 degrees C. Transmission electron spectroscopy and X-ray diffraction patterns revealed the crystallinity in the samples, and the crystallite size increased with calcination temperature. The calcination temperature also greatly influenced the grain size of the materials, and high calcination temperature induces a decline in the total surface area per unit mass of material. The ferroelectric polarization measurement showed a decrease in remnant polarization from 0.18 to 0.09 mu C/cm2 with an increase in temperature. The remnant polarization induced delayed recombination of charge carriers upon light illumination, and the high surface area led to the highest photocatalytic activity in 450 degrees C calcined samples. The higher photocurrent density in low-temperature calcined samples supports the visible-light photodegradation studies of Congo Red (CR) dye. A maximum of 76.6\% photocatalytic activity was observed in the 450 celcius calcined bismuth ferrite samples. In summary, the higher photocatalytic efficiency in the low-temperature samples is attributable to the synergistic effect of relatively higher remnant polarization and higher surface area.

}, issn = {0022-2461}, doi = {10.1007/s10853-023-09278-6}, author = {Sarraf, Sonu and Kaushal, Neha and Chugh, Vibhas and Sundar, Adhiraj and Saha, Avishek and Basu, Aviru K.} } @article {49056, title = {Water-chain mediated proton conductivity in mechanically flexible redox-active organic single crystals}, journal = {Journal of Materials Chemistry A}, volume = {12}, year = {2024}, month = {MAR }, pages = {5866-5874}, type = {Article}, abstract = {

Investigating electrochemical features of proton-conducting organic crystalline materials is relevant in developing efficient energy storage and conversion devices. However, the poor structural flexibility of the crystalline materials at the molecular level often impedes hydrogen bond reorganization of the proton carriers during proton migration, ultimately leading to low ionic conductivity. Here, we report crystals of azobenzene, functionalized with dipicolylamine at both ends (Azo-DPA), which contain an extended hydrogen-bonding network with water molecules in its structure. Interestingly, the crystals display remarkable mechanical flexibility explicitly probed by the nanoindentation technique. The mechanically flexible neutral organic crystals devoid of any acidic moieties (-COOH, -PO3H2, etc.) within the system, exhibit promising proton conductivity (1.63 x 10-4 S cm-1 at 30 degrees C under 95\% relative humidity) which is almost 100 times better compared to the neutral organic systems reported to date. Mechanically flexible redox-active crystalline organic material (Azo-DPA) capable of impressive proton conduction was employed as an electrode material for the first time in an aqueous battery containing Zn2+ ions. The experimental and theoretical studies on the charge storage mechanism revealed the redox activity of the azo (-N 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 N-) centers involving reversible insertion/extraction of protons and Zn2+ ions. Ultimately, the electrode displayed a specific capacity similar to 49 mA h g-1 with almost 100\% retention after 1400 cycles, encouraging the scope of redox-active organic crystalline materials for energy storage applications. Investigating the electrochemical features of proton-conducting flexible organic crystalline materials is crucial for the development of efficient energy storage and conversion devices.

}, issn = {2050-7488}, doi = {10.1039/d3ta05797f}, author = {Hossain, Munshi Sahid and Ghosh, Meena and Mondal, Amit and Ajmal, P. and Saha, Monochura and Reddy, C. Malla and Kurungot, Sreekumar and Bandyopadhyay, Subhajit} } @article {49786, title = {Accessing electron-deficient π-extended pyrenes via non-K-region fusion}, journal = {ORGANIC LETTERS}, volume = {27}, year = {2025}, month = {NOV }, pages = {12270-12275}, type = {Article}, abstract = {

This study presents a new class of pyrene derivatives featuring non-K-region fusion and electron-deficient pi-extension. By strategically introducing electron-withdrawing groups at the non-K positions, the optical and redox properties of these compounds were significantly altered. For the first time, we report a non-K-region fused acceptor pyrene with an extended pi-skeleton. The detailed characterizations revealed pronounced shifts in both absorption and emission spectra, accompanied by a significant lowering of the LUMO energy levels. Our results highlight non-K region-fused pyrenes as a promising building block for next-generation organic semiconductors with tunable electronic properties.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c03796}, author = {Dongre, Sangram D. and Kumar, Viksit and Kumar, Ravi and Babu, Sukumaran Santhosh} } @article {49931, title = {Additive-free, selective synthesis of N-heteroaromatics using morphology-engineered hollow CeO2 nanocatalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {13}, year = {2025}, month = {DEC }, pages = {21266-21276}, type = {Article}, abstract = {

We developed a highly efficient, shape-controlled CeO2 nanocatalyst for synthesizing N-heteroaromatics via an aerobic dehydrogenation approach, operating at mild reaction conditions without needing toxic acid/base additives. Different morphologies of CeO2, namely, hollow nanospheres, nanorods, and irregularly shaped nanoparticles, were synthesized, as confirmed by electron microscopy analysis. The CeO2 hollow nanosphere catalyst (CeO2-HNS) exhibited unique features, such as abundant acid-base sites, larger-sized voids, and surface oxygen vacancies. These characteristics are found to be crucial for the additive-free oxidative dehydrogenation of saturated N-heterocycles over the CeO2-HNS catalyst, resulting in 98\% conversion of 1,2,3,4-tetrahydroquinoline with 100\% quinoline product selectivity. The versatility of this approach was further demonstrated by the successful aerobic dehydrogenation of a broad range of saturated N-heterocycles, affording N-heteroaromatics in good to excellent yields. Furthermore, the CeO2-HNS nanocatalyst showed exceptional reusability over six cycles without requiring a regeneration step, such as high-temperature calcination treatment. The structural and morphological stability of the CeO2-HNS catalyst, along with reaction scalability and favorable green chemistry metrics, emphasized the practical viability of the CeO2-HNS catalyst for industrial applications.

}, keywords = {acid-base and defect sites, additive-free aerobicdehydrogenation, CeO2 hollow nanosphere catalyst, N-heteroaromatics, reusability and scalability}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5c10285}, author = {Singh, Nittan and Swapna, Bhattu and Balu, Alina Mariana and Bhatte, Kushal and Sudarsanam, Putla} } @article {49514, title = {Advances in polymer electrolyte design strategies for highly efficient supercapacitors and Zn-based batteries}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {MAY }, pages = {6864-6881}, type = {Article}, abstract = {

Electrolytes play a crucial role in the performance of electrochemical energy storage systems, such as batteries and supercapacitors. Their main function is to act as a medium for ion transport between the electrodes, which is essential for the charge and discharge processes. Beyond this, the electrochemical performance of the device is strongly affected by the various properties of the electrolytes such as their ionic conductivity, chemical, thermal and electrochemical stability, chemical compatibility, etc. The intrinsic limitations of the aqueous electrolytes such as their decomposition during high voltage operations has led to the development of better electrolytes for batteries and supercapacitors. These included non-aqueous electrolytes, inorganic solid-state electrolytes, and gel polymer electrolytes. This feature article reviews the various approaches to designing a highly efficient polymer electrolyte for the targeted application along with the suitable device fabrication strategy adopted in the current literature to achieve a balanced electrochemical performance compared with a liquid electrolyte-based device.

}, issn = {1359-7345}, doi = {10.1039/d5cc00174a}, author = {Puthiyaveetil, Priyanka Pandinhare and Babu, Athira and Kurian, Maria and Kurungot, Sreekumar} } @article {49582, title = {Air-stable double halide perovskite Cs2CuBiBr6: synthesis and memristor application}, journal = {Physical Chemistry Chemical Physics}, volume = {27}, year = {2025}, month = {FEB}, pages = {3150-3159}, type = {Article}, abstract = {

The excellent optical and electronic properties of halide perovskite materials have attracted researchers to investigate this particular field. However, the instability in ambient conditions and toxicity of materials like lead have given some setbacks to commercial use. To overcome these issues, perovskite-inspired materials with less toxic and excellent air-stable materials are being studied. Double perovskite materials are one of the perovskite materials. In this study, we have synthesized air-stable double perovskite Cs2CuBiBr6 using a solution process approach. The characterization of the material revealed that it has excellent crystallinity and high stability. The material shows excellent optical and electronic properties. It can be used in resistive memory devices. It shows stable current-voltage characteristics and analog switching. The ion migration through the active layer and accumulation of charge near the electrode region are the reasons behind the resistive switching.

}, issn = {1463-9076}, doi = {10.1039/d4cp04639k}, author = {Betal, Atanu and Chetia, Anupam and Saikia, Dibyajyoti and Karmakar, Krishnendu and Bera, Ganesh and Dambhare, Neha V. and Rath, Arup K. and Sahu, Satyajit} } @article {49566, title = {Altered Octopamine synthesis impairs tyrosine metabolism affecting Helicoverpa armigera vitality}, journal = {Pesticide Biochemistry and Physiology}, volume = {208}, year = {2025}, month = {MAR}, pages = {106323}, type = {Article}, abstract = {

Tyramine (1-hydroxylase (T(1H) is a key enzyme in the biosynthesis of octopamine (OA), a vital neurohormone in invertebrates. This study explores the expression patterns and functional role of Helicoverpa armigera T(1H (HaT(1H) across various tissues and developmental stages. HaT(1H expression was highest in the head and adult male stages, reflecting tissue-specific and developmental regulation. HaT(1H silencing significantly increased locomotion and decreased feeding behavior. OA supplementation in silenced insects or HaT(1H overexpression showed a contrary effect on locomotory and feeding behavior. In silico screening and inhibitory assays identified tomatidine, a tomato-derived metabolite, as a potent HaT beta H inhibitor with strong binding affinity. In vivo bioassays confirmed tomatidine{\textquoteright}s inhibitory effects, reducing feeding and increasing mortality in H. armigera. Modulation in HaT(1H expression or activity disturbs the tyrosine metabolic pathway, with altered levels of tyramine, octopamine, and dopamine. These results highlight HaT(1H as a key regulator of OA biosynthesis, influencing insect feeding, locomotion, and overall survival. The present study also introduces tomatidine as a potential candidate for insect control, given its ability to disrupt HaT beta H function. This work provides new insights into the physiological roles of HaT beta H and offers promising avenues for developing targeted pest management strategies.

}, keywords = {Helicoverpa armigera, Octopamine biosynthesis, Tomatidine, Tyramine (1-hydroxylase (HaT(1H), Tyrosine metabolic pathway}, issn = {0048-3575}, doi = {10.1016/j.pestbp.2025.106323}, author = {Patil, Yogita P. and Wagh, Deepti S. and Barvkar, Vitthal T. and Gawari, Shyam K. and Pisalwar, Priyanka D. and Ahmed, Shadab and Joshi, Rakesh S.} } @article {49772, title = {Anode|electrolyte|cathode interface engineering to develop a robust zinc metal hydrogel battery}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {DEC }, pages = {41105-41121}, type = {Article}, abstract = {

The poor electrode-electrolyte interfaces in quasi-solid-state zinc metal batteries often hinder Zn2+ ion transport due to the poor compatibility of the gel electrolyte with the electrodes. This report proposes a dual-interface engineering strategy across the anode, cathode, and separator using a single hydrogel polymer electrolyte (HPE). The integration of vanadyl phosphate functionalized carbon nanotubes (VP/fCNT) into a commercial glass fiber (GF) separator, followed by a thin hydrogel coating and UV-light photopolymerization, resulted in a dual-interface engineered cathode-separator-electrolyte structure (VP/IC-EGF). To mitigate the dendritic growth, an artificial solid electrolyte interface was developed on Zn foil (AEI@Zn). The engineered GF (EGF) demonstrates a room-temperature conductivity of 6.5 mS cm-1 and a high electrochemical stability window of 2.4 V vs. Zn|Zn2+. The symmetric cell with AEI@Zn|EGF|AEI@Zn exhibits exceptional plating/stripping stability over 1400 h at a current density of 0.1 mA cm-2 and a capacity of 0.1 mAh cm-2. Moreover, the low-volume cell (AEI@Zn \& Vert;VP/IC-EGF), featuring the dual-interface-engineered cathode-separator-electrolyte, demonstrates outstanding cycling stability with over 3000 charge-discharge cycles at a current rate of 1.0 A g-1, retaining 98-99\% of its initial capacity and showing high coulombic efficiency. These findings underscore the significant impact of interface engineering on enhancing the performance of ZMBs.

}, issn = {2050-7488}, doi = {10.1039/d5ta04128g}, author = {Dilwale, Swati and Babu, Athira and Kanheerampockil, Fayis and Torris, Arun and Puthiyaveetil, Priyanka Pandinhare and Bhat, Suresh and Kurungot, Sreekumar} } @article {49541, title = {Aspergillus terreus variant TB21 wet biomass optimized by in-situ transesterification for biodiesel production}, journal = {AMB Express}, volume = {15}, year = {2025}, month = {FEB}, pages = {23}, type = {Article}, abstract = {

The oleaginous fungus, Aspergillus terreus when subjected to random chemical mutagenesis led to isolation of TB21 variant with improved lipid content (78.1\%) as compared to wild type (49.8\%). The fungal wet biomass grown on sugarcane bagasse hydrolysate (SCBH) was subjected to one-step in-situ (direct) acid transesterification to optimize its conversion to biodiesel using a 2-level factorial statistical design of experiments. The process optimization revealed that wet biomass and methanol were the most significant factors and in a short reaction time period of 5 min with low methanol: wet biomass ratio (10:1) influenced FAME production Statistical optimization studies showed that TB21 exhibited a higher FAME content of 76.5 and 38.1\% (w/w) from wet and dry biomass, respectively when compared to wild type (48.1 and 24.5\%). FAME productivity (0.55-1 h-1) and a yield (66 gL-1) were achieved when TB21 was grown on SCBH for 120 h at 30 degrees C. The FAME profile from the wet biomass of TB21 grown on SCBH had desirable amounts of saturated (77.7\%), monounsaturated (7.2\%), and polyunsaturated (2.4\%) methyl esters. Physico-chemical properties of TB21-derived biodiesel were determined, namely, density(0.88 g cm-3), kinematic viscosity (4.1 mm s-2), iodine value (96.82), cetane number (55.31), free fatty acid content (0.15\%), total acid number (0.3 NaOH mg g-1), meeting international (ASTM D6751, EN 14214) and Indian (IS 15607) standards. Thus, the direct one-pot in situ transesterification reaction using wet biomass of variant TB21 strain showed improved production and quality of biodiesel with potential large scale application using the low-cost substrate (SCBH).

}, keywords = {Aspergillus Terreus, Biodiesel, In situ transesterification, Mutant, Statistical optimization, Wet biomass}, issn = {2191-0855}, doi = {10.1186/s13568-024-01772-7}, author = {Bed, Rashmi K. and Kumar, V. Ravi and RaviKumar, Ameeta} } @article {49818, title = {Atom-economical and scalable asymmetric synthesis of daridorexant key starting material (S)-2-methylproline via the memory of chirality}, journal = {Organic Process Research \& Development}, volume = {29}, year = {2025}, month = {DEC}, pages = {3223-3228}, type = {Article}, abstract = {

alpha-Methylproline is a key starting material (KSM) for important drugs, such as Daridorexant, Veliparib, Trofinetide, Enlicitide chloride, and Usnoflast. A practical and scalable asymmetric synthesis of (S)-2-methylproline and its derivatives has been disclosed here using a diketopiperazine intermediate-based strategy that leverages the memory of chirality. Commencing from an inexpensive starting material, l-proline, it proceeds through dimerization and alkylation, followed by hydrolysis under mild conditions, avoiding column chromatography to furnish enantiomerically pure (S)-2-methylproline.HCl, which was also converted to (S)-Boc-2-methylproline and (S)-2-methylproline methyl ester.HCl. In contrast to prior multistep approaches, which rely on expensive chiral auxiliaries and hazardous reagents, this concise three-step route offers operational simplicity, scalability, and superior stereochemical control, making it an attractive method for the synthesis of proline-derived building blocks for peptidomimetics and pharmaceutical applications.

}, keywords = {alpha-methylproline, atom economy, memoryof chirality, Stereoselective}, issn = {1083-6160}, doi = {10.1021/acs.oprd.5c00366}, author = {Bhatt, Gaurang J. and Kumar, Shubham and Mhaske, Santosh B.} } @article {49307, title = {Base-mediated denitrative C3-alkylation of quinoxaline derivatives}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {JAN }, pages = {303-307}, type = {Article}, abstract = {

We have developed a novel base-mediated method for the selective C3-alkylation of quinoxalin-2(1H)-one and N-protected quinoxalin-2(1H)-one using inexpensive, unactivated nitroalkanes. This approach tolerates a wide range of functional groups and supports the synthesis of various bioactive compounds. Gram-scale reactions demonstrate the scalability of the method. The proposed mechanism was validated by control experiments.

}, issn = {1477-0520}, doi = {10.1039/d4ob01571a}, author = {Pansare, Vaibhav Ramachandra and Barsu, Nagaraju} } @article {49780, title = {Binder-free in situ interface reconstruction of NiMoO4 nanorods over Ni(OH)2 nanosheets for efficient urea oxidation}, journal = {Advanced Sustainable Systems}, volume = {9}, year = {2025}, month = {DEC}, type = {Article}, abstract = {

Replacing the energy-intensive oxygen evolution reaction (OER) with the urea oxidation reaction (UOR) in electrochemical water splitting offers simultaneous green hydrogen production and urea-rich wastewater oxidation, enhancing energy efficiency and economic viability. In this study, a non-noble metal-based binder-free NiMoO4/Ni(OH)2/NF electrocatalyst is developed, featuring NiMoO4 nanorods anchored on Ni(OH)2 nanosheets. This unique morphology facilitates a highly active in situ reconstructed interface, delivering a current density of 134 mA cm-2 at 1.40 V (vs RHE) in 1 m KOH with 0.33 m urea, significantly outperforming its individual components. The catalyst demonstrates excellent stability over 50 h at 30 mA cm-2. When integrated into an anion exchange membrane urea electrolyser (13 cm2 area) with Pt@C/NF as the HER cathode, the system achieves 192 mA cm-2 at 1.60 V. The post-UOR studies confirm the presence of an amorphous NiMoO4-crystalline Ni(OH)2 interface, which plays a key role in enhancing the availability of the active sites to enhance the UOR performance. The improved electrochemical performance of the engineered catalyst can be ascribed to the in situ reconstructed amorphous-crystalline interface, optimal hydrophilicity, reduced charge transfer resistance, and the distinct morphology. This strategy offers a promising pathway for developing highly active electrocatalysts for energy conversion applications.

}, keywords = {AEM, electrolyser, OWS, tomography, UOR, wastewater}, issn = {2366-7486}, doi = {10.1002/adsu.202500883}, author = {Kumar, Yogesh and Barik, Sidharth and Kharabe, Geeta Pandurang and Torris, Arun and Singh, Mayank U. and Mohan, S. and Galave, Chaitanya and Tekawadia, Jyoti and Kanawade, Rajesh and Kurungot, Sreekumar} } @article {49769, title = {Binderless low silica X zeolite for methane separation from binary CO2/CH4 biogas stream: A comprehensive experimental and computational study}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {149}, year = {2025}, month = {SEP }, pages = {705-719}, type = {Article}, abstract = {

This study presents the synthesis of binderless Na-LSX (B-Na-LSX) and binderless NaK-LSX (B-NaK-LSX). XRD, SEM, EDS, and N-2 physisorption were used for characterization of samples. Computational modelling of prepared sorbent was performed for the fundamental understanding of zeolite topology and adsorption behaviour. The breakthrough experiments are used to evaluate the adsorption capacities on CO2/CH4 (40/60 vol\%) binary biogas stream. The results were compared with commercial Na-LSX (C-Na-LSX). The breakthrough adsorption capacity of B-Na-LSX was 3.08 mmol g(-1) and 0.29 mmol g(-1) of CO2 and CH4, respectively, at 300 K and 1 bar. CO2 sorption capacity of B-Na-LSX was similar to 11 \% and similar to 17 \% higher than B-NaK-LSX (2.77 mmol g(-1)) and C-Na-LSX (2.56 mmol g(-1)), respectively. DFT study reveals that the higher adsorption of CO2 over CH4 was attributed to higher charge transfer from CO2 to zeolite framework. Dual-bed six-step Pressure Swing Adsorption (PSA) was performed on B-Na-LSX at 6 bar. similar to 232 cycles were run with above 98 \% of CH4 purity and similar to 74 \% of recovery. The life-cycle test of sorbent was studied. It was implied that the designed sorbent is effective to produce the high purity of CH4 and can be utilized for a longer period for CH4 production.

}, keywords = {Binderless, Biogas, LSX zeolite, methane, PSA, Separation}, issn = {1226-086X}, doi = {10.1016/j.jiec.2025.02.031}, author = {Yadav, Tushar R. and Shrotri, Aadesh R. and Kate, Pranjali N. and Devasia, George and Niphadkar, Prashant S. and Mali, Nilesh A. and Krishnamurty, Sailaja and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {49823, title = {Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-a]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {OCT }, pages = {19164-19171}, type = {Article}, abstract = {

Herein, we report the synthesis of 11,12-dihydroindolo[2,3-a]carbazole (InC) 1 incorporating expanded porphyrinoid 8, and its boron(iii) complexes (8BF2 and 8BF). These macrocycles exhibit a {\textquoteleft}figure-eight{\textquoteright} conformation that exists as a pair of helical enantiomers (P,P and M,M), confirmed by X-ray crystallographic analysis. The {\textquoteleft}figure-eight{\textquoteright} structures are stabilized by intramolecular hydrogen bonds such as NH \& ctdot;N and NH \& ctdot;F interactions. The synthesized macrocycles demonstrate excellent stability under ambient conditions. Further, the helically-locked structure 8BF exhibited closely held InC units with a distance of 6.17 \& Aring; and enabled facile optical resolution using chiral HPLC. Circular dichroism spectroscopy of enantiopure 8BF shows the Cotton effect at 692 nm extending to the near-IR region with Delta epsilon up to 150 M-1 cm-1. The chiral induction of racemic macrocycle 8 was employed using enantiopure mandelic acids.

}, issn = {2041-6520}, doi = {10.1039/d5sc04279h}, author = {Spergen, Aswini and Bal, Pranav V. and Shameem, Asif Khan Shameer and Joshy, Arun and Nambiar, Anjana P. and Andrews, Alex P. and Sabapathi, Gokulnath} } @article {49911, title = {Caffeine vs. theophylline cocrystals: insights into structure-mechanical behavior and piezoelectricity}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {JUN }, pages = {5007-5021}, type = {Article}, abstract = {

Cocrystallization offers a versatile approach to modulate the physicochemical including mechanical properties of active pharmaceutical ingredients (APIs). In this study, we employ crystal engineering principles to design cocrystals of two structurally similar methylxanthine compounds-caffeine (CAF) and theophylline (THP)-with 3,5-dinitrosalicylic acid (DNSA) and 3,5-dinitrobenzoic acid (DNBA) as coformers. The resulting cocrystals and cocrystal polymorphs displayed diverse architectures-2D layers, corrugated sheets, and 3D interlocked structures-showing distinct deformation characteristics. Particular attention was given to the mechanical shearing of the layered structure cocrystals THP-DNBA and CAF-DNBA-I, which are critical for pharmaceutical manufacturing processes such as tablet compaction. The sheared fragmented crystal of THP-DNBA also shows plastic bending deformation. On the other hand, the CAF-DNSA, CAF-DNBA-II, and THP-DNSA cocrystals are brittle due to the absence of a flat layer structure. Our findings reveal that structural features such as flat molecular geometry, pi-stacking, and weak interlayer interactions play crucial roles in promoting plastic deformation via shearing and plastic bending. Nanoindentation studies have been performed on the major faces of all the cocrystals to quantify their mechanical properties. Notably, the CAF-DNBA-I cocrystal also exhibited piezoelectric properties. This work provides valuable insights into the structure-mechanical property relationship in pharmaceutical cocrystals and underscores the potential of cocrystallization in addressing formulation-related challenges.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5c00491}, author = {Bhowmik, Aritra and Bamane, Sanjivani and Saxena, Ashish Kumar and Mishra, Manish Kumar} } @article {49510, title = {Catalyst and transition-metal free 1,6-conjugate addition of azobisisobutyronitrile: access to isobutyronitrile containing diarylmethanes}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {APR}, pages = {3956-3966}, type = {Article}, abstract = {

A catalyst and transition-metal free 1,6-conjugate addition of azobisisobutyronitrile to para-quinone methides for the synthesis of isobutyronitrile containing diarylmethanes has been achieved. This protocol enables the synthesis of isobutyronitrile containing diarylmethanes in good yields and with a broad substrate scope. This is the first example wherein azobisisobutyronitrile has been used as a cyanide source for 1,6-conjugate addition under catalyst and metal-free conditions.

}, issn = {1477-0520}, doi = {10.1039/d5ob00012b}, author = {Mamale, Ajay G. and Ghodake, Balaji M. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {49725, title = {Catalytic hydrogenation of cinnamaldehyde over nanocrystalline nickel-doped lanthanum aluminate: synergistic effect of nickel and oxygen vacancies}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JUN}, type = {Article}, abstract = {

Nickel-doped lanthanum aluminium perovskite, LaAl1-xNixO3-delta with x = 0, 0.1, 0.2, 0.3, 0.4,0.5, 0.6, and 0.75 (LANx), were obtained through a combustion method followed by a calcination process. The obtained LANx materials crystallized in the cubic structure by the Pm-3m (221) space group. The nanocrystalline nature of the LANx materials was confirmed by the average crystalline size determined using Debye-Scherrer formula. X-ray photoelectron spectroscopy (XPS) studies showed that nickel was present in the +2 and +3 oxidation states. The introduction of nickel resulted in distinct peaks in TPR in the temperature range of 200-600 degrees C, with an enhanced reducibility of the materials. The LANx materials were thoroughly assessed for their effectiveness in the hydrogenation of cinnamaldehyde. The maximum catalytic activity (cinnamaldehyde conversion of 98\% with a hydrocinnamylalcohol selectivity 96.5\%) was observed with the presence of the LAN7 catalyst at 150 degrees C for 6 h at a H2 pressure of 10 bar. The catalytic activity is maintained even after four cycles, which broadens the application scope as the material is sustainable, scalable, cost-effective, and a potential alternative to reported noble metal catalysts. The synergistic effect of nickel and oxygen vacancies in the catalyst improves the reducibility and provides a promising catalytic activity in the cinnamaldehyde hydrogenation.

}, keywords = {Cinnamaldehyde, Hydrocinnamylalcohol, Hydrogenation, Nickel, Perovskite oxide}, issn = {1867-3880}, doi = {10.1002/cctc.202500011}, author = {Bhavisha, Meloth and Balamurugan, Sarkarainadar and Venkatesha, Naragalu J. and Gopinath, Chinnakonda S. and Sakthivel, Ayyamperumal} } @article {49548, title = {Characterization of novel phages KPAФ1, KP149Ф1, and KP149Ф2 for lytic efficiency against clinical MDR Klebsiella pneumoniae infections}, journal = {Microbial Pathogenesis}, volume = {202}, year = {2025}, month = {MAY}, pages = {107440}, type = {Article}, abstract = {

Phage therapy offers a promising approach to the increasing antimicrobial resistance of Klebsiella pneumoniae. This study highlights three novel lytic bacteriophages-KPAc1, KP149c1, and KP149c2-targeting multidrugresistant (MDR) K. pneumoniae. These phages belong to the Myoviridae and Podoviridae family and demonstrate their efficacy and stability across a wide range of temperatures (up to 60 degrees C) and pH levels (pH 4 to 11). Genomic analysis reveals that they are free from virulence, toxicity, and antimicrobial resistance genes, making them promising candidates for therapeutic use. Among these phages, KPAc1 showed the highest lytic activity with a 26.15\% lysis against MDR K. pneumoniae isolates. Additionally, a phage cocktail comprising all three phages improved lytic efficacy to 32.30\%. This study also examined the antimicrobial resistance profiles of K. pneumoniae isolates, emphasizing the critical need for alternative treatments. By effectively targeting resistant strains, these phages offer a potential candidacy to be used as a viable alternative or a complementary antimicrobial agent to traditional antibiotics, opening up the possibility for advanced phage-based therapies. The promising results from this study pave the way for developing new treatments that could significantly improve patient care and outcomes from the growing issue of resistant bacterial infections.

}, keywords = {Antimicrobial resistance, Bacteriophage, MDR-Klebsiella pneumoniae, Phage cocktail, Phage therapy}, issn = {0882-4010}, doi = {10.1016/j.micpath.2025.107440}, author = {Dandekar, Shraddha S. and Thanikkal, Sinta and Londhe, Arti and Bhutada, Pankhudi and Saha, Ujjayni and Pawar, Shubhankar and Samson, Rachel and Dharne, Mahesh and Saroj, Sunil D. and Koratkar, Santosh} } @article {49540, title = {Charge transfer effect on relaxation mechanism in hydrated pyrrole-water systems following N-2s ionization}, journal = {ChemPhysChem}, volume = {26}, year = {2025}, month = {APR}, type = {Article}, abstract = {

This study investigates the relaxation mechanisms of pyrrole and pyrrole-water clusters (C4H5N-(H2O)n, where n=0-3 \${n = 0 - 3}\$ ) following N-2s ionization of pyrrole. Using various theoretical methods, we focus on the influence of water molecules and charge transfer on these non-radiative relaxation pathways. Our simulations included pyrrole solvated in 494 explicit water molecules equilibrated at 300 K and also employed a polarizable continuum model (PCM) to make the system more realistic and gain additional insights. In hydrated environments, the hydrogen bonding network between pyrrole and surrounding water molecules facilitates enhanced non-radiative relaxation pathways following inner valence ionization. Since these are hydrogen bonding systems, we have explored the possibility of proton transfer, which could occur in conjunction with other electronic decay processes.

}, keywords = {ab initio-calculations, auger decay, charge transfer, proton transfer, pyrrole}, issn = {1439-4235}, doi = {10.1002/cphc.202400962}, author = {Kumar, Ravi and Bhattacharjee, Kankana and Ghosh, Aryya and Vaval, Nayana} } @article {49899, title = {(Chiro)optical Properties of π-Extended Spiro-Double Carbo[7]helicene}, journal = {Journal of Physical Chemistry Letters}, volume = {16}, year = {2025}, month = {NOV }, pages = {11657-11664}, type = {Article}, abstract = {

Helical nanographenes are a fascinating class of pi-extended chiral nanocarbons, where structural helicity imparts intrinsic chirality and unique optoelectronic properties to the rigid carbon framework. In this work, we synthesized a hexa-peri-hexabenzocoronene-based pi-extended spiro-double carbo[7]helicene. The helical distortion of the structure was unambiguously confirmed by X-ray crystallography. The optical properties were explored through UV-Vis absorption, fluorescence, and phosphorescence measurements, complemented by density functional theory (DFT) calculations. Remarkably, the pi-extended spiro-double carbo[7]helicene exhibited thermally activated delayed fluorescence (TADF) at room temperature and phosphorescence at low temperatures. Chiral HPLC successfully resolved the enantiomers into three fractions: (PP), (MM), and the meso forms (PM)/(MP), and chiroptical studies of the pure enantiomers revealed a moderately high g lum value of 1.58 x 10-3. Finally, the origin of the observed dissymmetry factors was rationalized by analyzing the transition electric dipole moments (TEDM) and transition magnetic dipole moments (TMDM) derived from time-dependent density functional theory (TD-DFT) calculations.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.5c02897}, author = {Kumar, Viksit and Dongre, Sangram D. and Vandhanam, Aparna and Jadhav, Ashok Badrinarayan and Kumar, Jatish and Babu, Sukumaran Santhosh} } @article {49607, title = {Chiroptical amplification of [7]-helicene nanographene by additional helical chirality}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB }, pages = {e202420767}, type = {Article}, abstract = {

Nanographenes have captivated scientific interest since the pioneering discovery of graphene. Recently, attention has shifted towards exploring chiral and nonplanar nanographenes, for their distinct optical, chiroptical, and electronic properties. Despite the growing acceptance of helicenes, the research on inducing helical chirality on pi-extended derivatives to boost chiroptical properties remains unattended. In our study, we introduce a new pi-extended [7]-helicene resulting from the condensation of diamines with 3,6-dibromophenanthrene-9,10-dione, complemented by two hexabenzocoronene arms in the periphery. Notably, the nanographene containing binaphtho-[1,4]diazocine, compared to the corresponding phenazine, exhibits a remarkable average 2.5, 5, and 10-fold enhancements in quantum yield, dissymmetry factor, and brightness, respectively, when measured in five different solvents. These improvements underscore the significance of the induced helical chirality by the antiaromatic binaphtho-[1,4]diazocine in influencing the chiroptical properties of the helical nanographene. Our research represents a significant stride toward unlocking the potential of pi-extended helicenes and lays the groundwork for further exploration in designing and synthesizing new chiral nanomaterials.

}, keywords = {circularly polarised luminescence, dissymmetry factor, helicene, nanographene, quantum yield}, doi = {10.1002/anie.202420767}, author = {Dongre, Sangram D. and Venugopal, Geethu and Kumar, Viksit and Badrinarayan Jadhav, Ashok and Kumar, Jatish and Babu, Sukumaran Santhosh} } @article {49771, title = {Coke management: unveiling the role of Ce substitution in Gd2Zr1.8Ni0.2O7-δ catalyst for dry reforming of methane}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {NOV }, pages = {22356-22368}, type = {Article}, abstract = {

The redox characteristics of cerium have become crucial elements in the carbon gasification process during methane dry reforming. This work examines the effect of cerium substitution in the Gd2Zr1.8Ni0.2O7-delta catalyst during methane dry reforming, employing a range of Ce-substituted Gd2Zr1.8-x Ni0.2Ce x O7-delta (x = 0.1, 0.2, 0.5, 0.75) catalysts synthesized via the citrate gel method. The materials crystallized in a fluorite structure, as verified by X-ray diffraction analysis and Raman spectroscopy. Enhanced reducibility of the substituted catalysts was assessed through H2-temperature-programmed reduction analysis. CO2 and O2 desorption studies along with X-ray photoelectron spectroscopy validated the enhanced basicity and generation of active oxygen and hydroxyl species. The enhanced activity and coke gasification in Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst are attributed to surface hydroxyl species, and prominent intermediate carbonate and bicarbonate species were further verified by in situ infrared spectroscopy. The high basicity of the Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst and high concentrations of oxygen vacancies (similar to 66.4\%) enhances CO2 adsorption and desorption, resulting in continuous CO2 activation, leading to less carbon formation and superior activity of the catalyst. The Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst exhibits the highest CH4 and CO2 conversion rates, at 85\% and 93.5\%, respectively, and remains stable for 100 h. Postreaction analysis of Gd2Zr1.6Ni0.2Ce0.2O7-delta confirms structure stability and less carbon formation compared to other substituted catalysts in dry reforming of methane. This study demonstrates that the moderate concentration of Ce in the Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst exhibits balanced activity and coke gasification capacity in the dry reforming of methane for a longer duration.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5c04019}, author = {Ghodke, Seema R. and Mule, Harshada M. and Bhatkar, Akash and Devi, R. Nandini} } @article {49909, title = {Comprehensive in vitro and in silico assessment of eugenol glycoconjugates against azole and amphotericin B resistant Rhizopus spp.}, journal = {Molecular Biology Reports}, volume = {52}, year = {2025}, month = {JUN }, pages = {589}, type = {Article}, abstract = {

Background Rhizopus spp. is a major cause of mucormycosis, a severe infectious disease with high morbidity and mortality. Treatment is challenging due to rising antifungal resistance. Glycosylation is a crucial technique for enhancing the properties of phenolic compounds like eugenol. The present study aims to examine the antifungal efficacy of eugenol glycoconjugates against azole and amphotericin B-resistant Rhizopus isolates. Methods and results Out of 50 soil samples, 12 isolates belonging to Mucorales were obtained, of which 7 were identified as Rhizopus spp. via 18S ITS sequencing. Antifungal susceptibility testing (AST) revealed that all Rhizopus isolates were resistant to amphotericin B (MIC \> 1 mu g/mL). Most isolates also showed resistance towards posaconazole (MIC \> 1 mu g/mL) and itraconazole (MIC \> 2 mu g/mL). AST of eugenol glycoconjugate (coded 6g) showed efficacy against resistant Rhizopus isolates, with MIC values ranging from 6.25 mu g/mL to 25 mu g/mL. Flow cytometry confirmed its fungicidal activity, correlating with MIC data. Compound 6g significantly reduced conidial germination within 24 h and exhibited no cytotoxicity on A549 lung cancer cells. In-silico analysis revealed a negative binding affinity of compound 6g for the spore coat protein CotH3, which could be a potential antifungal target. Conclusion Compound 6g could be an potential antifungal molecule against resistant Rhizopus spp, which requires further studies.

}, keywords = {Antifungals, Eugenol, Glycoconjugates, Mucormycosis, Resistance, Virulence}, issn = {0301-4851}, doi = {10.1007/s11033-025-10673-2}, author = {Sen, Pooja and Gupta, Lovely and Chauhan, Aastha and Goswami, Lakshmi and Bhattacharya, Asish K. and Sengupta, Abhishek and Vijayaraghavan, Pooja} } @article {49497, title = {Continuous flow β-zeolite catalysed regioselective alkylation of naphthols using alcohols for synthesis of peroxynaphthalen-2(1H)-one, Azidonaphthalen-2(1H)-one and Fluoronaphthalen-2(1H)-one derivatives}, journal = {Asian Journal of Organic Chemistry}, volume = {14}, year = {2025}, month = {APR}, type = {Article}, abstract = {

Functionalized naphthols are prominent scaffolds in organic synthesis and materials chemistry. Herein, we demonstrated continuous flow alkylation of alpha- and beta-naphthols by using various primary and secondary benzylic alcohols in the presence of environmentally benign granular beta-zeolite as a reusable catalyst. For a variety of beta-naphthols, the respective alkylated products with good regioselectivity were obtained in high yields under mild reaction conditions. This protocol proceeded via the classical Friedel-Crafts type alkylation process and generated stable carbocations as intermediates. Applying this protocol, versatile naphthol derivatives have been synthesized using primary and secondary benzylic alcohols (50 and 44 examples in batch and continuous flow process, respectively), with good yields. Key advantages of this process includes rapid and efficient transformation, facilitates gram-scale synthesis, and generates water as the sole by-product. The most significant advantage is the continuous reusability of granular beta-zeolite, which further emphasizes the sustainability of the method. The application of alkylated naphthols for quaternary functionalization was demonstrated through peroxidation, azidation, and halogenation reactions under the continuous flow module, which yielded the respective peroxynaphthalen-2(1H)-one, azidonaphthalen-2(1H)-one and fluoronaphthalen2(1H)-one derivatives.

}, keywords = {continuous flow, Multigram Synthesis, Reusable beta-zeolite, Sustainable Appraoch, Transition metal free}, issn = {2193-5807}, doi = {10.1002/ajoc.202400658}, author = {Londhe, Gokul and Bokade, Vijay and Gnanaprakasam, Boopathy} } @article {49724, title = {Coumarin hybrids: dual-target candidates for future antimicrobial and antitubercular therapies}, journal = {Future Medicinal Chemistry}, volume = {17}, year = {2025}, month = {MAY}, pages = {1131-1142}, type = {Article}, abstract = {

Aims: This study aimed to synthesize, characterize, and evaluate the antimicrobial and antitubercular activities of two novel series of coumarin-based derivatives (Series 5 and Series 9), focusing on their structure-activity relationship (SAR) and molecular docking interactions with key bacterial enzymes. Materials \& methods: Series 5 (5a-5j) and Series 9 (9a-9t) compounds were synthesized and characterized using spectroscopic techniques. Their antimicrobial and antitubercular activities were evaluated against Mycobacterium tuberculosis, Staphylococcus aureus, Bacillus subtilis, and E. coli. IC50 values were determined, and molecular docking studies were conducted to assess binding interactions with M. tuberculosis enoyl-ACP reductase (InhA) and E. coli DNA gyrase B. Results: Series 5 compounds exhibited moderate activity, with 5f, 5 g, 5i, and 5j showing notable inhibition. Series 9 derivatives displayed superior dual-target inhibition, with 9t, 9c, 9a, 9b, and 9p achieving \>90\% inhibition against S. aureus and B. subtilis. The lowest IC50 against M. tuberculosis was observed for 9c (1.50 mu g/mL), followed by 9a (2.84 mu g/mL) and 9b (2.73 mu g/mL). Molecular docking confirmed strong binding interactions, correlating with observed biological activities. Conclusions: Series 9 compounds, particularly 9t, 9c, and 9a, demonstrate high potential as dual-target antimicrobial drug candidates. Further optimization may enhance their therapeutic efficacy. [GRAPHICS]

}, keywords = {Antimicrobial activity, antitubercular agents, Coumarin derivatives, Molecular docking studies, structure-activity relationship (SAR), thiophene-based compounds}, issn = {1756-8919}, doi = {10.1080/17568919.2025.2504331}, author = {Bavishi, Abhay and Vala, Hardev and Thakrar, Shailesh and Swami, Sagar and Sarkar, Dhiman and Shukla, Rushit and Kamdar, Jignesh and Shah, Anamik} } @article {49869, title = {The critical helping hand of water: theory shows the way to obtain elusive, granular information about kinetic asymmetry driven systems}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {AUG }, pages = {14940-14955}, type = {Article}, abstract = {

Kinetic asymmetry is crucial in chemical systems where the selective synthesis of one product over another, or the acceleration of specific reaction(s) is necessary. However, obtaining precise information with current experimental methods about the behavior of such systems as a function of time, substrate concentration and other relevant factors, is not possible. Computational chemistry provides a powerful means to address this problem. The current study unveils a two-pronged computational approach: (i) full quantum chemical studies with density functional theory (DFT), followed by (ii) stochastic simulations with a validated Gillespie algorithm (GA) (using representative model systems where necessary), to study the behavior of a kinetic asymmetry driven unidirectional molecular motor (1-phenylpyrrole2,2 {\textquoteleft}-dicarboxylic acid) (Nature, 2022, 604 (7904), 80-85). Our approach allows us to understand what is really taking place in the system, underlining the crucial role played by water molecules in facilitating the rotation of the motor. It is seen that water lubricates the motion by increasing the rotation rate constant of the final step by, remarkably, more than ten orders of magnitude! These insights further serve to explain the efficient rotation of the very recently reported gel-embedded molecular motor (Nature, 2025, 637 (8046), 594-600), providing an upper limit for the allowed rotation barrier in such systems, and thus also casts light into the functioning of bio-molecular motors. The current work therefore provides a template for carefully and properly studying a wide variety of important, kinetic asymmetry driven systems in the future.

}, issn = {2041-6520}, doi = {10.1039/d5sc03256c}, author = {Bajpai, Priyam and Thulasiram, Shrivatsa and Vanka, Kumar} } @article {49557, title = {Cyclopropane containing triterpenoids, cycloartenone, and cycloartenol: isolation, chemical transformations, and anticancer studies}, journal = {ChemistrySelect}, volume = {10}, year = {2025}, month = {MAR}, pages = {e202403698}, type = {Article}, abstract = {

Cycloartenone and cycloartenol, two plant-derived triterpenoids possessing cyclopropane ring were isolated from the latex of Artocarpus heterophyllus (jackfruit). Cycloartenol was chemically modified to synthesize dihydrocycloartenol via acetylation and deacetylation methodology followed by hydrogenation. Hydroxyl group present in the cycloartenol was also employed for the nitro benzoate formation. All the isolated and synthesized compounds were assayed against MCF7 breast cancer cell line for their anticancer properties.

}, keywords = {Anticancer studies, Artocarpus heterophyllus, Chemical transformations, Cycloartenol, Cycloartenone}, issn = {2365-6549}, doi = {10.1002/slct.202403698}, author = {Paul, Sayantan and Mandal, Kartik and Santra, Manas K. and Bhattacharya, Asish K.} } @article {49802, title = {Defect-rich CoFe-alloy with engineered carbon support for high-performance rechargeable Zn-air batteries}, journal = {Small}, volume = {21}, year = {2025}, month = {SEP}, type = {Article}, abstract = {

Defect-rich CoFe-alloy with engineered carbon support is synthesized as a bifunctional cathode, coupled with a modified electrode fabrication technique, for rechargeable zinc-air batteries (RZABs). The CoFe(2:1)/N-rGCNT-catalyst is synthesized by annealing graphene oxide (GO), cobalt and iron acetate, and melamine, leading to the in situ formation of CoFe alloy-encapsulated CNTs. This resulted in a unique layer-separated Fe-rich skin@CoFe alloy decorated nitrogen-doped graphene (NGr) with CoFe-encapsulated CNTs. The interplay of line defects, enhanced conductivity, and electronic modulation underpins electrocatalyst{\textquoteright}s performance. Electrochemical analysis revealed an onset potential of 955 mV vs RHE, a half-wave potential of 835 mV vs RHE for oxygen reduction reaction (ORR) and an overpotential of 340 mV for oxygen evolution reaction (OER), yielding a Delta E of 0.73 V, comparable to the reported catalysts. The 3D X-ray microtomography simulations suggest improved air permeability of CoFe(2:1)/N-rGCNT facilitates easier gas diffusion, contributing in better device performance. The RZAB with CoFe(2:1)/N-rGCNT-cathode exhibited a peak power density of 171.3 mW cm(-)2, surpassing 140.8 mW cm(-)2 obtained from a cell based on Pt/C-cathode. The Co/N-rGCNT-based battery achieved a stable discharge profile at 10 mA cm(-)2 with a specific capacity of 650 mAh g(-)(1)Zn, and in rechargeable mode, achieved 140 h of high-rate charge-discharge cycling capability.

}, keywords = {3D tomography, N-doping, alloy encapsulated structure, device demonstration, grain boundaries, oxygen reduction and evolution reactions, rechargeable zinc-air battery}, issn = {1613-6810}, doi = {10.1002/smll.202505342}, author = {Kharabe, Geeta Pandurang and Barik, Sidharth and Torris, Arun and Maria, Anit and Kumar, Yogesh and Kurungot, Sreekumar} } @article {49806, title = {Degradation of aniline blue dye in aqueous solution using ozonation as advanced oxidation process: optimization and mechanism}, journal = {Journal of the Indian Chemical Society}, volume = {102}, year = {2025}, month = {JUN}, pages = {101742}, type = {Article}, abstract = {

Aniline blue dye is widely used in various fields, including textile dyeing, biotechnological processes, and analytical chemistry research. However, its release into the environment without proper treatment can have serious adverse effects on human health and the ecosystem, emphasizing the need for effective management and remediation strategies. A limited number of studies are available in the literature employing advanced oxidation processes (AOPs) for the mineralization of aniline blue dye. Therefore, the present work explores ozonation as one of the AOPs to study the degradation aniline blue dye in aqueous solution. The experimental parameters like initial dye concentration, inlet ozone dose and initial dye solution pH were optimized in order to maximize aniline blue dye degradation efficiency. The direct and indirect degradation pathways were analyzed using tbutanol as a radical scavenger. The maximum degradation efficiency of 81.1 \% was achieved at optimal experimental conditions of initial dye concentration of 250 mg/L, inlet ozone dose of 18g/h and initial dye solution pH 11 after 30 min of ozonation. The complete colour removal was observed after 15 min of ozonation at the optimized experimental conditions. The presence of radical scavenger t-butanol had no impact on colour removal efficiency indicating direct ozone molecule mechanism. However, COD removal efficiency was decreased with the addition of radical scavenger t-butanol suggesting indirect hydroxyl radical based mechanism. The experimental results suggested that ozonation is an effective and promising method for the degradation of aniline blue dye in aqueous solution, showcasing significant potential for its application in wastewater treatment.

}, keywords = {Aniline blue dye, Degradation mechanism, Ozonation}, issn = {0019-4522}, doi = {10.1016/j.jics.2025.101742}, author = {Bhawsar, Aastha and Bhutada, Dinesh and Ghuge, Santosh} } @article {49421, title = {Depolymerization of waste polycarbonates to value-added products}, journal = {ChemSusChem}, volume = {18}, year = {2025}, month = {JAN}, type = {Article}, abstract = {

Additive free aminolysis method developed for the depolymerization/upcycling of polycarbonates. We report here chemical recycling of polycarbonate under ambient conditions to get its monomer bisphenol A, monoaminocarbamate and biscarbamates in 1 : 2 : 1 ratio respectively. By employing the secondary amine as the aminating reagent, facilitates the depolymerization to work under additive/catalyst free conditions. The developed method deals with depolymerization of waste polycarbonates and works even with late-stage amine derivatives such as amoxapine and desloratadine which are drugs molecules known to treat neurotic disorders and allergies respectively. The reaction can be scaled up and works with similar efficacy which depicts the efficiency of the depolymerization of wasteend-of-life polycarbonate plastic waste. The biscarbamate and bisphenol-A was further subjected for the post functionalization to obtain amides and phenol in good yields. Developed additive/catalyst free aminolysis of waste polycarbonates to carbamates and monomer BPA at ambient conditions. Variety of secondary amines were screened including the late stage amine derivatives like amoxapine and desloratadine which delivered the expected products successfully. Later the developed methodology was even applied for the different end-of-life polycarbonates with the secondary amine and achieved the depolymerization without any obstacle. Further carried out the scale up reaction and derivatization of carbamates and BPA to amide and phenol synthesis. image

}, keywords = {Aminolysis, carbamates, depolymerization, End-of-life, Polycarbonate}, issn = {1864-5631}, doi = {10.1002/cssc.202400756}, author = {Padhi, Ganeshdev and Pansare, Vaibhav Ramachandra and Bajpai, Priyam and Krishna, Gamidi Rama and Vanka, Kumar and Barsu, Nagaraju} } @article {49860, title = {Detection and variant characterization of lumpy skin disease virus from dairy cattle in India}, journal = {Virus Evolution}, volume = {11}, year = {2025}, month = {DEC}, pages = {veaf090}, type = {Article}, abstract = {

The spread of a severe and often fatal form of lumpy skin disease (LSD) in cattle and water buffaloes has caused widespread mortality and morbidity of these animals in India. To track and understand the genetic changes occurring in the virus and to enable routine surveillance of the virus, multiplexed polymerase chain reaction (PCR) and sequencing methods were developed and validated in this study. Multiplexed nested PCR for LSD virus (LSDV) detection was optimized using skin lesion swabs and nasal samples collected from symptomatic and asymptomatic animals. For genotyping, overlapping PCRs to amplify the entire LSDV genome were developed and tested on field samples collected from the Maharashtra and Odisha states of India. Analysis of LSDV genomes from 41 field samples collected in 2022 and 2023 revealed the presence of highly conserved novel mutations. Phylogenetic analysis shows that a distinct genotype of LSDV has spread across India, which warrants genomic surveillance of the virus in the coming years to track the evolution and transmission of the virus. The non-invasive sample collection, detection, and genotyping methods described in this study can facilitate large-scale surveillance of LSDV in dairy animals.

}, keywords = {genotyping by sequencing, lumpy skin disease, multiplexed nested PCR, Oxford Nanopore technology, virus surveillance}, doi = {10.1093/ve/veaf090}, author = {Bajpai, Manali and Khilari, Ajinkya and Likhitkar, Bhagyashree and Musale, Pankaj and Jadhav, Santoshkumar and Dhanikachalam, Velu and Kakramkar, Payal and Bhave, Kaustubh and Swaminathan, Marimuthu and Joshi, Sachin and Shanmugam, Dhanasekaran} } @article {49714, title = {Development of novel ssDNA aptamers for detection of receptor-binding domain of SARS-COV-2}, journal = {ACS Omega}, volume = {10}, year = {2025}, month = {JUN }, pages = {23981-23992}, type = {Article}, abstract = {

The highly virulent and transmissible SARS-CoV-2 causes COVID-19 and poses a global public health threat. Herein cloned, expressed, and the molecular weight of the receptor-binding domain (RBD) of the SARS-CoV-2 gene encoding protein was confirmed by SDS-PAGE electrophoresis and Western blot analysis. The pivotal aim is to develop single-stranded DNA (ssDNA) aptamers for the rapid detection of SARS-COV-2 infections in humans. In this investigation, a library of nine novel ssDNA aptamers was developed by several rounds of systematic evolution of ligands by an exponential enrichment approach and assessed by an enzyme-linked aptamer assay for binding affinity against RBD antigen (Ag). An in vitro assay resulted in a varied colorimetric signal that depends on the nature of aptamer. Quantitative determination of AptRBD3, AptRBD6, and AptRBD8 aptamers exhibited excellent binding affinity against Ag in the range of 5-10 ng/mL. The putative AptRBD3, AptRBD6, and AptRBD8 aptamers were converted into peptide sequences and docked against RBD, exhibiting good binding energy of -6.8, -6.3, and -7.1 kcal/mol respectively, which were recorded. Furthermore, docking studies of ssDNA aptamers were performed using HDOCK web server to ascertain the binding mechanism and docking score perceived as -389.74, -404.28, and -390.37. Despite this, we engineered a high-affinity AptRBD3.3 aptamer that formed a single and bulged loop, which improved binding affinity, resulted in a docking score of -361.56, and exhibited sensitivity at 4 ng of Ag of SARS-CoV-2. Moreover, computational modeling of AptRBD3.3 revealed an intriguing significant binding affinity with the RBD mutant SARS-CoV-2 S-UK variant (PDB ID: 7EDG) with a docking score of -350.21. In conclusion, the AptRBD3.3 aptamer can be used for the development of lateral flow device and electrochemical sensors for rapid, low-cost, and accurate detection of COVID-19 infection in humans for point of care diagnostics.

}, issn = {2470-1343}, doi = {10.1021/acsomega.4c03580}, author = {Auti, Amogh and Yadav, Pranay and Bodkhe, Rahul and Bhandari, Yogesh and Varma, Sanjana and Chaudhari, Bhushan and Rahi, Shraddha and Ghormade, Vandana and Vamkudoth, Koteswara Rao} } @article {49687, title = {Diamondoid all-carbon porous aromatic framework host for lithium-sulfur batteries}, journal = {Small}, volume = {21}, year = {2025}, month = {JUN}, pages = {2500388}, type = {Article}, abstract = {

Lithium-sulfur batteries (LSBs) hold incredible potential as next-generation energy storage systems. However, practical applications of LSBs are significantly hindered by several critical challenges. For the first time, scalable all-carbon porous 3D polymers (3DPs) that do not contain heteroatoms or functional groups and do not require post-functionalization are investigated as hosts in lithium-sulfur batteries, demonstrating enhanced cycling stability and overall battery performance. The pyrene-containing 3DP exhibits 75\% capacity retention after 600 cycles at 1 C and 52\% capacity retention after 1300 cycles at 0.2 C, better than phenyl comprising 3DP. Furthermore, even at higher sulfur loading (4.1 mg cm(-2)) with an electrolyte/sulfur ratio of 5 mu L mg(-1), pyrene 3DP displayed a high capacity of 600 mA h g(-1) and stable performance over 250 cycles with negligible capacity fade. The defined pore structure of 3DPs prevents the migration of polysulfides through physical confinement and the large pi -clouds of 3DPs interact with the negative charge-bearing polysulfides generated in charge-discharge cycles through anion-pi interaction. In this way, The design ensures that the host 3DPs interact with neutral sulfur and anionic polysulfides, resulting in an excellent performance.

}, keywords = {3D polymers, Batteries, Li-Sulfur battery, porous materials, pyrene}, issn = {1613-6810}, doi = {10.1002/smll.202500388}, author = {Kumar, Viksit and Javaregowda, Bharathkumar H. and Devasia, George and Narayanan, Aswini and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Babu, Sukumaran Santhosh} } @article {49561, title = {Divergent access to α-carbonyl-α'-vinyl sulfoxonium ylides and polysubstituted furans from β-ketosulfoxonium ylides and ynone-esters}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {APR}, pages = {6186-6207}, type = {Article}, abstract = {

Here, we describe the synthesis of novel alpha-carbonyl-alpha {\textquoteleft}-vinyl sulfoxonium ylides under ambient, catalyst-free, and additive-free conditions, demonstrating broad substrate scope and scalability using beta-ketosulfoxonium ylides and alpha-ynone-esters. Furthermore, these ylides serve as versatile intermediates for the synthesis of highly substituted furans via Br \& oslash;nsted acid (p-TsOH) catalysis at 130 degrees C. This approach offers key advantages, including wide substrate compatibility, divergent product formation from common precursors, gram-scale feasibility, and good to excellent yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c00245}, author = {Ingale, Sudhir R. and Sahu, Manas Ranjan and Borade, Balasaheb R. and Gamidi, Rama Krishna and Kontham, Ravindar} } @article {49873, title = {Divergent synthesis of 3-formylpyrazolo[1,5-a]pyrimidines and methylene-bridged bis(pyrazolo[1,5-a]pyrimidines) using DMSO as a single carbon synthon}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {AUG }, pages = {7566-7570}, type = {Article}, abstract = {

A divergent approach has been explored for synthesizing 3-formylpyrazolo[1,5-a]pyrimidines and methylene-bridged bis(pyrazolo[1,5-a]pyrimidines) using DMSO as a C1 synthon. A library of 3-formylpyrazolo[1,5-a]pyrimidines and methylene-bridged bis(pyrazolo[1,5-a]pyrimidines) has been synthesized using CuOAc and AcOH, respectively. The reaction progressed through a radical pathway. The usefulness of 3-formylpyrazolo[1,5-a]pyrimidines in synthesizing a zaleplon derivative has been demonstrated.

}, issn = {1477-0520}, doi = {10.1039/d5ob01042j}, author = {Sikdar, Papiya and Das, Sourav and Saini, Sheetal and Sawant, Sanghapal D. and Bagdi, Avik Kumar} } @article {49964, title = {Dual agonist/antagonist modulation of α9-containing nicotinic acetylcholine receptors by 2-ammoniumethyl ethers of stilbenol and stilbenol analogues}, journal = {Journal of Medicinal Chemistry}, volume = {68}, year = {2025}, month = {DEC }, pages = {26099-26120}, type = {Article}, abstract = {

2-(Cyclohexyldimethylammoniumethyl)ether of 4-stilbenol (2), and its styryl-modified analogues 21 and 22, were identified as lead compounds from a series targeting human alpha 9 alpha 10, alpha 9, and alpha 7 nicotinic acetylcholine receptors (nAChRs). Compounds 2 and 21 exhibited potent, and subtype-selective modulation of alpha 9-containing receptors, with low nanomolar IC50 values and dual agonist/antagonist activity in a concentration-dependent manner. In contrast, compound 22 acted as a selective, pure antagonist. Molecular dynamics (MD) simulations of compound 21 supported a concentration-dependent allosteric mechanism, with orthosteric binding at low concentrations and vestibular site interaction at higher levels. In a human monocytic cell line, all three compounds inhibited ATP-induced IL-1 beta release at nanomolar concentrations. These findings identify alpha 9 alpha 10-selective ligands as promising scaffolds for the development of nonopioid analgesics and immunomodulators, with favorable selectivity over alpha 7 nAChRs to minimize CNS-related side effects.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.5c02173}, author = {Giraudo, Alessandro and Tae, Han-Shen and Hung, Andrew and Richter, Katrin and Shivankar, Bhavana and Armano, Edoardo and Grau, Veronika and Pallavicini, Marco and Adams, David J. and Bolchi, Cristiano} } @article {49970, title = {Dual inhibition of AXL and MER kinase: scope for lung and breast cancer therapeutics}, journal = {Bioorganic Chemistry}, volume = {164}, year = {2025}, month = {SEP}, pages = {108824}, type = {Article}, abstract = {

Cancer cells use multiple survival pathways for continuous proliferation, survival, and growth. Recent anticancer drug discovery commonly focuses on a single target that maintains key cancer cell survival mechanisms, where typically, this is a cellular enzyme that inhibits DNA replication, inducing cell damage and apoptosis. Since drugs that act on a single target may be more susceptible to the development of resistance, the search for polypharmacotherapeutics is becoming increasingly popular to defeat drug-resistant cancer cells. Receptor tyrosine kinases (RTKs) family members, AXL and MER, have been identified as important cancer targets and found to be overexpressed and associated with various forms of cancers, such as lung and breast cancers. This review has focused on the dual inhibition of AXL and MER kinases as a strategy for treating lung and breast cancer. The roles of these two kinases in non-small cell lung cancer (NSCLC) are such that dual inhibition would be therapeutically complementary, with MER inhibition more fully blocking tumor growth while AXL inhibition encourages chemosensitivity. Hence, treatment strategies targeting both of these RTKs may be more effective and beneficial than singly targeted agents, and a dual AXL/MER inhibitor is a potential therapy for NSCLC along with breast cancer. This review highlights the preclinical and clinical development of dual AXL and MER kinase inhibitors as lung and breast cancer treatments and the prospects for their future progression.

}, keywords = {AXL, Breast cancer, Cancer therapy, MER, Multi-kinase inhibitors, NSCLC targeted therapy}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2025.108824}, author = {Sathe, Balaji Dashrath and Kumari, Pratibha and Kumar, Hemant and Mane, Madhav Shivaji and Mudududdla, Ramesh and Baell, Jonathan and Kumar, Roshan and Singh, Shareen and Pawar, D. K. and Kommi, Damodara N. and Bushi, Ganesh and Pathak, Prateek and Dwivedi, Ashish R.} } @article {49884, title = {Dynamic signature of the thermodynamic transition in a novel mean field system}, journal = {Journal of Chemical Physics}, volume = {163}, year = {2025}, month = {AUG }, pages = {084510}, type = {Article}, abstract = {

Understanding the connection between thermodynamics and dynamics in glass-forming liquids remains a central challenge in condensed matter physics. In this study, we investigate a novel model system that enables a continuous crossover from a standard three dimensional liquid to a fully connected mean field like system by introducing pseudo neighbors. These pseudo neighbors enhance the effective connectivity of the system without altering its local structure. While their presence slows down the dynamics, they influence thermodynamic properties even more significantly. In particular, the configurational entropy obtained via thermodynamic integration vanishes at a temperature much higher than the temperature where the dynamics begin to slow down, leading to a clear breakdown of the Adam-Gibbs relation. To uncover a possible dynamical signature of this thermodynamic transition, we analyze bond breakage dynamics. Unlike real-real bonds, which decay similarly in both the parent Kob-Andersen model and its mean field variant, real-pseudo bonds exhibit long lived, persistent behavior with strong temperature dependence. These bonds do not fully decay over time, leading to a finite saturation value of the bond breakage correlation function. Remarkably, we show that the number of surviving pseudo bonds can be analytically estimated and correlates directly with the thermodynamic transition temperature T-K. We propose a phenomenological relation between T-K and the number of surviving pseudo-bonds, establishing a novel link between thermodynamic and dynamic observables. Our results suggest that these persistent pseudo bonds serve as a robust dynamical signature of the thermodynamic transition, and the system might have properties analogous to those of randomly bonded ultrastable glasses.

}, issn = {0021-9606}, doi = {10.1063/5.0283034}, author = {Anwar, Ehtesham and Nandi, Ujjwal Kumar and Patel, Palak and Kumawat, Sanket and Maitra Bhattacharyya, Sarika} } @article {49430, title = {An effective alliance for successful coupling: electrochemical alcohol oxidation mediated conversion of indoles to bis(indolyl)methanes}, journal = {Journal of Applied Electrochemistry}, volume = {55}, year = {2025}, month = {MAY}, type = {Article}, abstract = {

Electro-organic transformation of indoles to bis(indolyl)methanes (BIMs) has been successfully achieved by combining the electrochemical alcohol oxidation reaction (AOR) with indole coupling. The fact that it is the readily available alcohols and not the traditionally used aldehydes or ketones that provide the bridging -CH2- (methylene) for this transformation makes this path extremely attractive and valuable. The formation of aldehydes as reactive intermediates during the AOR has been dexterously utilized to achieve this transformation. Most gratifyingly, the transformation also can be carried out in water-alcohol mixtures and the yields and conversions are better than the most of the previously reported chemical catalytic transformations using specially designed metal complexes. Various substituted indoles were selectively converted to their corresponding BIMs in decent yields. This strategy could further be exploited for the synthesis of different natural products, including the much sought after deuterium substituted ones (as CD3OD is readily accessible), and other important biologically active alkaloids and drug molecules, etc.

}, keywords = {Alcohol oxidation reaction, Bis(indolyl)methanes, Direct alcohol fuel cell, Electroorganic transformations, Vibrindole A}, issn = {0021-891X}, doi = {10.1007/s10800-024-02227-4}, author = {Baravkar, Mayur D. and Prasad, Bhagavatula L. V.} } @article {49894, title = {Effectiveness of 3-amino-2-thiocyanato-α, β-unsaturated carbonyl compounds against chikungunya virus}, journal = {Future Medicinal Chemistry}, volume = {17}, year = {2025}, month = {JUN }, pages = {1269-1279}, type = {Article}, abstract = {

Aim Chikungunya fever (CHIKF) caused by the chikungunya virus (CHIKV) is characterized by the presence of long-term polyarthralgia in a minor proportion of the infected patients. Currently, there are no FDA-approved antivirals available. This study evaluated the anti-CHIKV potential of 16 synthetic 3-amino-2-thiocyanato-alpha, beta-unsaturated carbonyl compounds and elucidated their probable mechanisms of action. Methods Anti-CHIKV activity of 16 compounds were investigated in Vero CCL-81 cells using focus forming unit assay (FFU). Dose-dependent and time-dependent antiviral assays were performed for the effective compounds. Molecular docking was performed to find out their interactions with viral proteins. Results Five compounds showed promising anti-CHIKV activity by reducing viral titer with \>1 log10 FFU/ml. Dose-dependent studies revealed that the compound 3 g was more effective in reducing the virus titer with a half-maximal inhibitory concentration (IC50) of 0.4315 mu M and a selectivity index of 35.99. Docking analyses revealed that all the compounds mainly interact with the non-structural proteins of CHIKV. Conclusions These findings demonstrate the in vitro anti-CHIKV activity of these compounds, and their possible mode of action via interference with early stages of infection and replication processes. This study warrants further preclinical and clinical evaluation to establish their safety and efficacy as novel anti-CHIKV therapeutics.

}, keywords = {3-amino-2-thiocyanato-alpha, antivirals, beta-unsaturated carbonyl compounds, Chikungunya virus (CHIKV), nsP2 helicase, therapeutics}, issn = {1756-8919}, doi = {10.1080/17568919.2025.2517527}, author = {Alagarasu, Kalichamy and Dhote, Radhika and Bagad, Pooja K. and Kharikar, Dwidhesh and Patil, Poonam and Roy, Diya and Shukla, Shridhar and Cherian, Sarah and Senthilkumar, Beeran and Parashar, Deepti} } @article {49819, title = {Efficient continuous catalytic process for production of bisphenol A}, journal = {Organic Process Research \& Development}, volume = {29}, year = {2025}, month = {OCT}, pages = {2530-2543}, type = {Article}, abstract = {

Bisphenol A (BPA) is a versatile chemical compound that is essential for producing durable polycarbonate plastics and strong epoxy resins, which are integral to numerous everyday products. In the present study, BPA was prepared using phenol and acetone using a highly active and reusable ion-exchange resin (IER) Lewatit K1131S as the catalyst. Under optimized conditions, an acetone conversion of 84\% and a BPA selectivity of 94\% were achieved. The produced BPA was further purified, resulting in a 96\% isolated yield with 99.5\% purity. The reusability of Lewatit K1131S has been studied, and it was found that it can be reused multiple times without affecting the selectivity for BPA. The kinetics of the reaction was studied using the Langmuir-Hinshelwood model; it was found that the reaction follows pseudo-first-order kinetics, and the apparent activation energy was determined to be 12.7 kJ/mol. A continuous pilot scale process for the production of BPA using a fixed-bed reactor (packed with ion-exchange resin) has been developed. Pilot plant trials were conducted at different flow rates such as 200, 300, and 500 g/h, and a downstream processing methodology using an agitated thin film evaporator (ATFE) was employed for the BPA purification. This resulted in high throughput, producing 99.2\% isolated BPA yield with 99.5\% HPLC purity. Additionally, the robustness and viability of the catalyst were assessed at a flow rate of 200 g/h, producing 22.5 kg of BPA per kg of catalyst, highlighting its cost-effectiveness, stability, and resistance to deactivation, which shows its suitability for industrial-scale applications. The environmental viability of the process was further evaluated by using the E-factor and Process Mass Intensity (PMI) metrics. The estimated E-factor was 0.3118, while the corresponding PMI was 1.3935. These lower values indicate reduced waste generation, improved material efficiency, and enhanced sustainability of the process.

}, keywords = {bisphenolA, BPA purification, Continuous process, E-factor, ion-exchange resins (IER), PMI, process optimization, reactionkinetics}, issn = {1083-6160}, doi = {10.1021/acs.oprd.5c00204}, author = {Dhotre, Kapil and Patil, Chetana Rupak and Tarade, Komal P. and Markandeya, Nishant and Pathak, Abhishek and Bhongale, Sunil S. and Kamble, Sanjay P.} } @article {49881, title = {Efficient Copper-Catalyzed, One-Pot Synthesis of N2-Aryl Phosphoryl 1,2,3-Triazole 1-Oxides}, journal = {Asian Journal of Organic Chemistry}, volume = {14}, year = {2025}, month = {OCT}, pages = {e00162}, type = {Article}, abstract = {

A simple and facile one-pot process has been developed for the synthesis of N 2-aryl phosphoryl 1,2,3-triazole 1-oxide derivatives. This new approach utilizes simple and commercially available starting materials, operating under mild conditions. The method employs copper-catalyzed multicomponent reaction, involving the combination of arylhydrazines, beta-ketophosphonates, and tert-butyl nitrite. The developed protocol shows excellent functional group tolerance permitting an extensive range of substrate scope up to 92\% isolated yield.

}, keywords = {Copper-catalyzed, Phosphoryl triazoles N-oxides, Phosphorylated compound, Triazole N-oxides}, issn = {2193-5807}, doi = {10.1002/ajoc.202500162}, author = {Mujahid, M. and Bhavar, Akshay A. and Vara, Vijay and Gonnade, Rajesh and Muthukrishnan, M.} } @article {49820, title = {Efficient synthesis of functionalized alkylidenephthalides, butenolides, pyranones, and isocoumarins via I2-PPh3: synthesis of Thunberginols A and F}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {AUG}, pages = {7702-7708}, type = {Article}, abstract = {

A simple and efficient synthesis of functionalized alkylidenephthalides, butenolides, pyranones, and isocoumarins was achieved using I2-PPh3-Et3N reagent combination. The products obtained through this method act as versatile components in organic synthesis, enabling further modifications of functional groups. This method exhibits a wide substrate scope, employs straightforward and cost-effective reagents, eliminates the need for acidic, carbodiimide or other coupling agents, and operates at ambient temperature. Moreover, this methodology has been successfully applied to the synthesis of two natural products, Thunberginols A and F.

}, issn = {1477-0520}, doi = {10.1039/d5ob01153a}, author = {Abhang, Rohitkumar V. and Bhagwat, Prathamesh N. and Handore, Kishor L.} } @article {49833, title = {Enhanced stability of sodium metal anodes in covalent triazine frameworks via progressive nucleation with optimized conducting composite matrix}, journal = {Small}, volume = {21}, year = {2025}, month = {AUG}, type = {Article}, abstract = {

Organic materials offer exciting possibilities to improve rechargeable battery performance in multiple ways. This study explores the Covalent Triazine Framework (CTF) as an interlayer to modulate progressive sodium nucleation and subsequent recurrent deposition/extraction in an anode-less sodium battery. The optimized composite, C60R40, which combines CTF with reduced graphene oxide (rGO), has demonstrated its effectiveness as a host. In half cell Na electrodeposition, the C60R40 host exhibits 99.9\% coulombic efficiency at an applied current density and areal capacity of 6 mA cm-2 and 2 mAh cm-2, respectively, for 500 cycles. The stable performance is also observed in both full-cell and anode-less battery configurations. When paired with Na3V2(PO4)2F3, the sodium-plated C60R40 demonstrated a stable discharge capacity of 110 mAh g-1. Furthermore, the anode-less sodium battery configuration, with Na3V2(PO4)3 cathode, achieved a promising discharge capacity exceeding 50 mAh g-1 without any additional modifications. These findings highlight the significant role of organic materials in improving the performance of rechargeable sodium metal batteries.

}, keywords = {anode-less batteries, CTF, instantaneous and progressive nucleation, Nucleation and growth, SEI}, issn = {1613-6810}, doi = {10.1002/smll.202502636}, author = {Wasnik, Kundan and Bhatt, Rajesh C. and Shelke, Manjusha V.} } @article {50008, title = {Enhancing asphalt pavement longevity through microcapsule-encapsulated rejuvenators: mechanical performance and self-healing evaluation}, journal = { International Journal of Pavement Research and Technology}, year = {2025}, month = {OCT}, type = {Article}, abstract = {

Self-healing asphalt incorporating encapsulated rejuvenators presents a promising solution to extend pavement life by autonomously restoring binder functionality in aged or cracked regions. Calcium-alginate microcapsules encapsulating a commercially available bio-based rejuvenator available in the Indian market were synthesized (2{\textendash}3\ mm in diameter) and incorporated into Bituminous Concrete Grade-II asphalt mixtures at 0\%, 0.5\% and 1\% (by aggregates weight). Capsules showed rupture strength \> 18\ N and thermal stability up to 200\ {\textdegree}C. Microstructural (4D-XRM (X-ray Microscopy), Scanning Electron Microscopy (SEM), Brunauer-Emmett-Teller (BET)), chemical (Fourier Transform Infrared (FTIR), Energy-Dispersive X-ray Spectroscopy (EDAX), SARA) and mechanical (Indirect Tensile Strength (ITS), resilient modulus, dynamic creep, Semi-Circular Bending (SCB) healing) tests under unaged, short-term aged (STA) and long-term aged (LTA) conditions were performed. At 1\% dosage, the Healing Index (HI) increased substantially (up to 58.03\% for LTA), while volumetric, rutting and moisture resistance were not significantly affected. EDAX and SARA confirm targeted rejuvenator release under aging. These findings show that low dosages of Calcium alginate microcapsules can improve fracture recovery in aged asphalt mixtures without compromising initial performance, supporting their potential for self-healing pavements.

}, doi = {https://doi.org/10.1007/s42947-025-00651-z}, author = {Gowda, Sachin and Behl, Ambika and Shanmuganathan, Kadhiravan and Gupta, Aakash} } @article {49959, title = {Enzymatic pathway for kupyaphore degradation in mycobacterium tuberculosis: mechanism of metal homeostasis and turnover}, journal = {ACS Chemical Biology}, volume = {20}, year = {2025}, month = {JUN }, pages = {1492-1504}, type = {Article}, abstract = {

Metallophores are essential for metal homeostasis, regulating availability, and mediating host-pathogen interactions. Kupyaphores are specialized metallophores produced by Mycobacterium tuberculosis (Mtb) that primarily chelate zinc to support bacterial survival. Elevated kupyaphore levels early in infection highlight their importance, while their rapid decline, despite increasing bacterial loads, indicates tightly regulated mechanisms of production, consumption, and degradation. However, the processes driving kupyaphore catabolism and their role in preventing zinc toxicity in Mtb remain unclear. Here, we show that covalent modification of the isonitrile moiety in kupyaphores releases zinc, triggering degradation through a sequential three-step enzymatic pathway encoded by Mtb. Isonitrile hydratase converts isonitrile groups into formamides, which are subsequently processed into amines by N-substituted formamide deformylase and ultimately oxidized to beta-ketoesters by amine oxidases. The biological significance of this pathway is underscored by the upregulation of these genes under metal-depleted and biofilm-forming conditions. Mutant Mtb strains lacking these genes exhibit impaired growth in metal-limiting environments and reduced levels of biofilm formation. Catalytic intermediates detected in Mtb cultures and infected mouse lung tissues confirm the pathway{\textquoteright}s in vivo activity. Further, genome mining reveals that similar enzymes are conserved across organisms producing isonitrile-containing metabolites, emphasizing the broader importance of this pathway. Understanding these processes could pave the way for novel therapeutic strategies targeting kupyaphore catabolism.

}, issn = {1554-8929}, doi = {10.1021/acschembio.5c00078}, author = {Bhosale, Rashmi S. and Chakraborty, Arnab and Wong, Tsung-Yun and Masal, Dattatraya P. and Choudhury, Rahul and Srivastava, Sonali and Reddy, D. Srinivasa and Aldrich, Courtney C. and Kamat, Siddhesh S. and Mohanty, Debasisa and Gokhale, Rajesh S.} } @article {49867, title = {Essentials of Mo+6/Mo+4 and Ce+4/Ce+3 redox couples in auto-regenerated catalyst for dry methane reforming}, journal = {Chemical Engineering Journal}, volume = {522}, year = {2025}, month = {OCT }, pages = {167586}, type = {Article}, abstract = {

Biogas is a potential renewable carbon resource, and dry reforming is one of the promising routes to mitigate via generating syngas, used as a building block for the synthesis of chemicals and fuels. Coke deposition and metal sintering of the reported catalyst systems are the major challenges to developing an economically feasible dry reforming process. Molybdenum oxide is a versatile material with properties like oxygen storage, oxygen mobility, and sulphur tolerance. Here, an oxygen storage capacity enhanced catalyst has been designed by applying a mono layer molybdenum oxide on ceria-magnesia-modified alumina support using a unique chemical vapor deposition method. The Ru and Ni used as active components, and Gd as a promoter were dispersed over the modified support via a precipitation-deposition approach. The most efficient composition is found to be 4 \% Ni, 0.5 \% Gd, and 0.5 \% Ru with Mo-promoted modified alumina with excellent stability up to 500 h for dry reforming reaction studies. Two redox cycles (Mo+6 to Mo+4 \& Ce+4 to Ce+3) facilitated a significant number of oxygen vacancies, to limit surface carbon accumulation and support high catalytic stability and activity. The possible reaction pathways and stable surface intermediates were identified by using in-situ DRIFT studies, which included metal carbonyls, carboxylate species, and surface hydroxyl groups. Moreover, the DRIFT studies were supported with CH4-TPSR analysis and DFT studies evidence the formation of CHx species and subsequent oxidation. The additional advantage of the usage of molybdenum is the excellent S-tolerance capacity, which is fully scrutinized experimentally as well as theoretically.

}, keywords = {and Methane reforming, Coke resistant, Oxygen storage, Redox couple cycles, Sulphur tolerance}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.167586}, author = {Panda, Satyajit and Singh, Gaje and Kaishyop, Jyotishman and Gazi, Md Jahiruddin and Mule, Harshada Mahadev and Khan, Tuhin Suvra and Sharma, Ojasvi and Bordoloi, Ankur} } @article {49902, title = {Evaluating sodium-ion pouch cell battery for renewable energy storage under extreme conditions}, journal = {Communications Chemistry}, volume = {8}, year = {2025}, month = {OCT }, pages = {315}, type = {Article}, abstract = {

A sodium-ion battery (SIB) is a sustainable energy storage technology based on abundantly available raw materials. It is a commercially viable option because of the processing similarity with Li-ion battery. Most of the energy storage studies focus on the near room temperature performance of different battery chemistries. Herein, we report the ultralow temperature performance of the SIB pouch cell. The cells fabricated using low-temperature compatible components showed significant specific energy values around 96, 74, and 46 Wh kg-1 at room temperature, -25 degrees C, and -50 degrees C, respectively. We demonstrated the battery performance under laboratory conditions as well as under actual windy and snowy environments. Such an exhibition highlights the use case of the SIB pouch cell as an emergency energy storage device in extreme weather conditions. Moreover, charging of SIB cell at -100 degrees C using polycrystalline Si solar cell is also reported, indicating the possibility of deployment for space expeditions.

}, issn = {2399-3669}, doi = {10.1038/s42004-025-01709-6}, author = {Shelke, Mehul and Boyer, Jamee M. and Mirzapure, Vinay and Pol, Vilas G.} } @article {49893, title = {Expanding the Egbenema horizon: Novel species discovery in India and first complete genome assembly of the genus}, journal = {Algal Research-Biomass Biofuels and Bioproducts}, volume = {90}, year = {2025}, month = {AUG}, pages = {104256}, type = {Article}, abstract = {

The recognition of Egbenema bharatensis, a novel species of cyanobacteria from the Northern Western Ghats, extends the ecological and phylogenetic understanding of the genus Egbenema and highlights terrestrial microbial diversity of the region. Morphological characterization revealed resemblance with other Egbenema species but was inconclusive for definitive taxonomic classification. Preliminary phylogenetic analysis based on 16S rRNA gene sequences indicated affiliation with the genus but showed less than 98 \% similarity to known species, pointing toward taxonomic distinctiveness. Analysis of the 16S-ITS region further supported this differentiation, revealing unique secondary structural features. Based on these findings, we propose the isolate as a novel species within Egbenema. Whole-genome sequencing provided full resolution and functional genome annotation revealed nitrogen fixation, cobalamin biosynthesis, and stress tolerance pathways, suggesting its metabolic versatility and potential biotechnological applications. The presence of multiple toxin-antitoxin systems also reflects its adaptability to environmental fluctuation. This study also presents the first complete genome of the genus Egbenema, filling a significant gap in cyanobacterial genomic resources. These findings encourage integrative taxonomic practices and affirm the significance of exploring biodiversity hotspots for uncovering cryptic microbial diversity with ecological and industrial potential.

}, keywords = {16S rRNA, Biodiversity hotspots, Cyanobacteria, Egbenema bharatensis, ITS secondary structure, Northern Western Ghats, whole-genome sequencing}, issn = {2211-9264}, doi = {10.1016/j.algal.2025.104256}, author = {Bhagat, Jayesh M. and Khilari, Ajinkya A. and Shanmugam, Dhanasekaran and Patankar, Meena} } @article {49914, title = {Exploring the electronic modulation in controlling the activity and selectivity of Ni-Au-In based catalyst in atmospheric pressure CO2 hydrogenation}, journal = {Chemical Engineering Journal}, volume = {520}, year = {2025}, month = {SEP }, pages = {165921}, type = {Article}, abstract = {

Nickel-based catalysts are widely used for the hydrogenation of CO2 but encounter stability challenges during prolonged reactions and at elevated temperatures. At atmospheric pressure, nickel primarily promotes methane formation in CO2 hydrogenation reactions. In this work, we demonstrate that the stability and activity of nickel can be significantly enhanced through gold (Au) modification. Furthermore, we achieve a near-complete selectivity switch from methane to CO by incorporating indium (In), mediated through the formation of Au-In alloy. This catalyst exhibits excellent CO2 conversion and CO selectivity at relatively lower temperatures (400 degrees C), addressing a major bottleneck in the Reverse Water-Gas Shifts (RWGS) reaction. XPS studies demonstrate an interesting electron transfer mechanism facilitated by gold, which involves the formation of electronrich Au species (Au delta-) and the development of Au-In alloys. This process improves the reducibility of nickel oxide while allowing a fraction of nickel to remain in its metallic form, managing a facile hydrogenation process and regulating the shift in selectivity from CH4 to CO.

}, keywords = {Alloy formation, Bimetallic catalyst, CO2 hydrogenation, RWGS, Selectivity switch, synergy, Trimetallic catalyst, XPS (X-ray photoelectron spectroscopy)}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.165921}, author = {Bajpai, Jyotsna P. and Gupta, Sharad and Goud, Devender and Deka, Diku Raj and V. Jagtap, Anuradha and Kumar, Pawan and Ahamed, Momin and Peter, Sebastian C. and Vinod, C. P.} } @article {49589, title = {Extraction of highly crystalline and thermally stable cellulose nanofiber from Heliconia psittacorum L.f. leaves}, journal = {International Journal of Biological Macromolecules}, volume = {308}, year = {2025}, month = {MAY}, pages = {142264}, type = {Article}, abstract = {

Extracting cellulose nanofibers (CNF) from agro-waste is one of the promising and practical ways to develop sustainable nanocomposites. In this study, cellulose nanofibers were extracted from the leaves of Heliconia psittacorum for the first time. The combination of oxalic acid hydrolysis (5 wt\%) and steam explosion was used for the isolation of CNF from the leaves of Heliconia psittacorum. The structural and chemical features of the prepared CNF were analyzed using various techniques, including Fourier Transform Infrared Spectroscopy (FTIR), Solid state 13C Nuclear Magnetic Resonance Spectroscopy (13C NMR), Scanning Electron Microscopy (SEM), Energy Dispersive X ray analysis (EDX), Transmission electron Microscopy (TEM), X-Ray Diffraction (XRD) and Thermogravimetric analysis (TGA). TEM micrographs reported 15 to 40 nm diameter for the nanofibers synthesized. XRD analysis reported 91 \% crystallinity index for CNF, whereas that of the untreated sample was 76 \%. The maximum degradation of the CNF is reported at 355 degrees C, exceeds the untreated sample (316 degrees C). The tensile strength of the CNF derived paper was found to be 23 MPa. The recovered nanocellulose can be further utilized for various applications such as the automobile industry for developing lightweight parts, biosensors, super capacitors, absorption of greenhouse gases, wastewater treatment, and packaging applications.

}, keywords = {biomass valorization, Nanocellulose, Waste to resource}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.142264}, author = {Paul, Sharon and Joseph, Anto and Hridhya, P. D. and Badawi, Michael and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Asrofi, Mochamad and Dominic, C. D. Midhun} } @article {49713, title = {Fabrication of a 3D iron-modified NiCo2S4 structure on nickel foam as a bifunctional electrocatalyst for overall water splitting}, journal = {New Journal of Chemistry}, volume = {49}, year = {2025}, month = {JUN}, pages = {10056-10064}, type = {Article}, abstract = {

The development of highly efficient bifunctional electrocatalysts that operate effectively in strong electrolytes, with low overpotentials at defined current densities and excellent durability, has become a central focus in research on overall water splitting. In this study, a three-dimensional (3D) sheet-wrapped wire electrocatalyst, composed of Fe-doped NiCo2S4 on nickel foam (NF), was fabricated. This material demonstrated excellent durability for both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in an alkaline medium. The uniform distribution of Ni, Co, Fe, and S elements significantly enhanced the electro-catalytic performance. The incorporation of Fe improved activity, with the Fe2.5\%-NiCo2S4/NF electrocatalyst achieving overpotentials of 310 mV and 260 mV for the HER and OER, respectively, at a current density of 100 mA cm-2. These results were superior to those of both bare nickel foam and NiCo2S4/NF. The 3D configuration facilitated efficient ion transport and contributed to the remarkable catalytic performance. As a water-splitting electrolyzer in an alkaline electrolyte of 1.0 M KOH, the system delivered a current density of 20 mA cm-2 at a cell voltage of 1.66 V, highlighting the effectiveness of this design strategy.

}, issn = {1144-0546}, doi = {10.1039/d5nj00816f}, author = {Singla, Gourav and Mahajan, Mani and Bhange, Siddheshwar N. and Kashyap, Varchaswal} } @article {49766, title = {Facile and eco-friendly synthesis of Mn2O3 nanoparticles via microwave-assisted glycerol-thermal method}, journal = {Journal of Chemical Sciences}, volume = {137}, year = {2025}, month = {NOV }, pages = {102}, type = {Article}, abstract = {

Microwave-assisted efficient synthesis of nanosized manganese oxide (Mn2O3) is reported using glycerol and manganese acetate. Glycerol in this reported methodology acts as an efficient solvent for this nanomaterial synthesis under microwave radiation. This reported method enables the synthesis of nanosized Mn2O3 without further use of additives, stabilizers, and bases other than glycerol and manganese precursor. Glycerol is a renewable biomaterial derived nonvolatile and nontoxic, safe solvent. It has a high boiling point and dielectric constant, which makes it an ideal solvent for microwave synthesis. The synthesized nanosized Mn2O3 was analyzed by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. We examined the catalytic properties of as-synthesized Mn2O3 for cinnamyl alcohol oxidation to cinnamaldehyde. In this oxidation activity experiment, nanosized Mn2O3 exhibits good conversion and selectivity towards the desired product. We also made an attempt to understand the probable mechanism of nanomaterial formation and found some conclusive evidence to support it. This research methodology is facile, energy efficient, and involves minimum chemicals for synthesis. It makes this reported methodology not only economically attractive but also environmentally friendly, which aligns well with green chemistry principles.

}, keywords = {Glycerol, green chemistry, Nanosized Mn2O3, nanostructured catalysis}, issn = {0974-3626}, doi = {10.1007/s12039-025-02429-z}, author = {Yadav, Akash and Jha, Ratnesh and Bhatkar, Akash and Gehlot, Bhavika and Kamble, Aditi and Manikandan, Marimuthu and Bhosale, Hritvik and Vaishnav, Vishal and Rathod, Rutik and Umbarkar, Shubhangi and Raja, Thirumalaiswamy and Bhatte, Kushal D.} } @article {49817, title = {Fermi-level equilibrium-driven trap filling in multibandgap PbS quantum dot solids enabling record voltage generation and improved carrier transport in high-performance solar cells}, journal = {ACS Energy Letters}, volume = {10}, year = {2025}, month = {DEC}, pages = {6336-6346}, type = {Article}, abstract = {

To leverage the unique optical properties of quantum dots (QDs) in solar cells, it is crucial to address electronic traps from unsaturated surface states of high surface area QDs. Despite advancements in surface passivation, even the best-coupled QD solids exhibit significant sub-bandgap trap states. This study introduces engineered multibandgap PbS QD solids that achieve passivation of deep traps below the conduction band through electron migration from dopant QDs. Our findings indicate that electron flow, driven by Fermi energy balancing in blend films, fills deep trap states, reducing trap density by half and shifting trap energy positions closer to the conduction band. During electrical transport, trap filling minimizes trapping and detrapping events, enhancing overall carrier mobility, despite higher-bandgap dopant QDs not contributing to carrier transport due to their unfavorable energy positions. Improved trap passivation in coupled QD solids leads to a record V oc of 725 +/- 10 meV for the 1.33 eV excitonic peak of QDs and a power conversion efficiency exceeding 14\% in solar cells.

}, issn = {2380-8195}, doi = {10.1021/acsenergylett.5c03000}, author = {Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Mitra, Anurag and Girade, Vrushali S. and Rath, Arup Kumar} } @article {49615, title = {Functionalized gold nanorods (GNRs) as a label for the detection of thyroid-stimulating hormone (TSH) through lateral flow assay (LFA)}, journal = { Emergent Materials}, volume = {8}, year = {2025}, month = {JAN}, pages = {601{\textendash}617}, type = {Article}, abstract = {

Thyroid-stimulating hormone (TSH) is an important biomarker of thyroid dysfunctions. Different types of nano biosensors have been developed to detect TSH. However, there is a lacuna in the development of sensitive paper-based nano biosensors due to less sensitivity and instability of the labels. Interestingly, the intense color and localized surface plasmon resonance (LSPR) property make gold nanorods (GNRs) an efficient lateral flow assay (LFA) label instead of spherical gold nanoparticles. The rapidity, simplicity and user-friendly functioning of LFAs make them a predominant technique compared to electrochemical techniques for point-of-care diagnosis. This proof-of-concept study underlines the role of stable GNRs as a novel label for LFAs. The TSH antibody functionalized GNRs can semi-quantitatively diagnose hyperthyroidism and hypothyroidism. The limit of detection (LOD) of the LFA is 0.3 {\textmu}IU/mL, determined by visually analyzing the color development at the test line without employing any quantification method. Moreover, the study provides a comprehensive understanding of seed-mediated synthesis and functionalization of GNRs, which would benefit the researchers in suitably designing the GNRs-based labels for LFAs. Considering their exceptional characteristics, GNR-based LFAs are expected to surpass other labelling nanomaterials in detecting various biological markers. This enhanced sensitivity could significantly improve the clinical utility of diagnostic kits.

}, doi = {https://doi.org/10.1007/s42247-024-00976-8}, author = {Varma, Sanjana and Burade, Dimpal K. and Chaudhari, Bhushan P.} } @article {49571, title = {Gold nanorods (GNRs): a golden nano compass to navigate breast cancer by multimodal imaging approaches}, journal = {Journal of Biomedical Materials Research Part B-Applied Biomaterials}, volume = {113}, year = {2025}, month = {FEB}, pages = {e35543}, type = {Review}, abstract = {

The ongoing rise in the incidences of breast cancer cases has concerned medical and scientific personnel around the world. Adequate treatment of cancer predominantly relies on the pertinent diagnosis of the type of cancer as well as other molecular and cellular details at the initial stage only. Surprisingly, up till now, there is no single, self-reliant imaging modality that helps to systematically find out the anatomical and functional events taking place inside the body. This resulted in the advent of the multimodal imaging concept, which encompasses the integration of complementary imaging modalities by designing multimodal imaging probes. Gold nanorods (GNRs) are extremely popular and effective nanoparticles for multimodal bioimaging due to their unique properties. Researchers have designed varieties of stable and biocompatible GNR-based probes for targeted and nontargeted multimodal imaging of breast cancer. However, there is a lack of investigations on the in vivo fate and the toxicity of GNRs. Thus, their preclinical to clinical translation can be attained by comprehensively determining the in vivo fate and toxicity of GNRs. The review provides details about the GNRs-based nanoprobes fabricated so far for breast cancer imaging, which, by consequent studies, can be taken up to clinical usage.

}, keywords = {Breast cancer, Gold nanorods, imaging probes, Multimodal Imaging}, issn = {1552-4973}, doi = {10.1002/jbm.b.35543}, author = {Varma, Sanjana and Bamb, Aagam Lalit and Haldar, Niladri and Gajbhiye, Virendra and Amalnerkar, Dinesh and Chaudhari, Bhushan Pradosh} } @article {49457, title = {Green engineering of cellulose nanofibers and nanopapers from Wodyetia bifurcata fruits: a sustainable approach with emphasis on process optimization and tensile property assessment}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {MAY}, pages = {9321-9335}, type = {Article}, abstract = {

Nanocellulose emerges as a highly promising material with versatile applications, offering solutions to environmental and sustainability challenges. This study delves into the extraction of cellulose nanofibers (CNFs) from\ Wodyetia bifurcata\ fruit pulp through mild oxalic acid hydrolysis assisted by steam explosion. To ensure environmental compatibility, chlorine-free pre-treatments were applied to eliminate non-cellulosic components. Chemical composition analysis verified the effective removal of non-cellulosic elements, validated by Fourier transform infrared spectroscopy (FTIR). Solid-state\ 13C nuclear magnetic resonance (13C NMR) spectroscopy confirmed the presence of type I cellulose α-polymorph in the CNF, while a crystallinity index of 60\% was determined by X-ray diffraction analysis (XRD). The transmission electron microscopy (TEM)\ images revealed a fibrous morphology with a fiber diameter ranging from 9 to 36\ nm. Dynamic light scattering (DLS) was employed to corroborate the observed fiber diameter. Mild acid hydrolysis elevated the maximum degradation temperature (Tmax) of CNF to 39\ {\textdegree}C compared to the pristine sample. Furthermore, this research explores the application of CNFs in nanopaper development using a casting method. The resulting nanopapers exhibited a tensile strength of ~ 17\ MPa and a transmittance of 25\%. These nanopapers present a viable pathway toward eco-friendly products in various industries, promising to revolutionize upcoming sustainable packaging technologies.

}, doi = {10.1007/s13399-024-05751-7}, author = {Sankar, Sameera and Neenu, K. V. and Parameswaranpillai, Jyotishkumar and Ajithkumar, T. G. and Shelke, Ankita Ramesh and Begum, P. M. Sabura and Bipinbal, P. K. and George, Tresa Sunitha and Badawi, Michael and Dominic, Midhun} } @article {49438, title = {Green one-pot three component synthesis of thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidines with [Bmim]BF4: their in vitro and in silico anti-TB studies}, journal = {Molecular Diversity}, volume = {29}, year = {2025}, month = {FEB}, pages = {303-317}, type = {Article}, abstract = {

A simple and effective three-component one-pot green methodology was employed for the synthesis of a new thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidine derivatives using [Bmim]BF4 ionic liquid via [3 + 2] cycloaddition reaction. It is an environmentally benign, column chromatography-free, shorter reaction time, good yield and easy product isolation method. The synthesized compounds 10a-x, were thoroughly characterized by using various spectroscopic methods like FT-IR, H-1 NMR, C-13 NMR, Mass spectrometry and finally by single crystal X-ray diffraction method. In vitro anti-tubercular (anti-TB) activity studies were carried out on these synthesized compounds, and they showed good to moderate anti-TB activity against Mycobacterium tuberculosis H37Rv strain. The compound 10a exhibited good anti-TB activity, with an MIC (Minimum Inhibitory Concentration) value of 12.5 mu g/mL, and the compounds 10m, 10o and 10r showed moderate activity with an MIC value of 25.0 mu g/mL. Remaining compounds exhibited poor activity against Mycobacterium tuberculosis. Ethambutol, rifampicin and isoniazid were used as standard drugs. Furthermore, in silico molecular docking experiments on the TB protein (PDB ID: 1DF7) were carried out to understand the binding interactions, and they showed least binding energy values ranging from -8.9 to -7.2 kcal/mol.

}, keywords = {4-dione based bisspirooxindolo-pyrrolidines, Anti-TB activity, green synthesis, Molecular docking, Thiazolidine-2, [3+2] cycloaddition reaction, [Bmim]BF4}, issn = {1381-1991}, doi = {10.1007/s11030-024-10853-5}, author = {Rukyanaik, V. and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas} } @article {50005, title = {Green synthesis and characterization of gold nanoparticles using pomegranate peel extract for inhibition of calcium oxalate crystals and uropathogenic bacteria}, journal = {BioNanoScience}, volume = {15}, year = {2025}, month = {AUG}, pages = {article number 500}, type = {Article}, abstract = {

This study explores the therapeutic potential of pomegranate peel extract (PPE) and its gold nanoparticle conjugate (PPE-AuNP) in the prevention and treatment of urolithiasis. Pomegranate peels collected from four agro-climatic zones of India exhibited consistent methanolic extract yields (10{\textendash}17\%) and total phenolic content, with the highest levels observed in the West zone. Green synthesis of PPE-AuNPs was confirmed through UV{\textendash}Vis spectroscopy (λmax = 522\ nm), DLS (38.2 {\textpm} 2.1\ nm), zeta potential (-33.66 {\textpm} 2.97\ mV), and TEM imaging, which showed uniform spherical nanoparticles. Characterization confirmed that PPE-AuNPs were crystalline and phytochemically capped. FTIR shifts in O{\textendash}H, C = O, and C{\textendash}O bands, along with a ~ 500\ cm-1\ Au{\textendash}O/N vibration, confirmed phytochemical-mediated reduction and stabilization. XRD revealed an FCC structure with a dominant (111) plane, indicating high crystallinity. The synthesized nanoparticles demonstrated antioxidant activity with an IC50 of 21.53\ {\textmu}g/mL, superior to PPE and AuNP alone. In vitro calcium oxalate crystallization assays revealed significant crystal inhibition by PPE-AuNPs, confirmed via E-SEM, EDAX, and XRD analyses. Antibacterial studies against\ E. coli,\ K. pneumoniae,\ S. aureus, and uropathogenic\ E. coli\ showed MIC values of 31.25{\textendash}62.5\ {\textmu}g/mL for PPE and PPE-AuNPs, with negligible activity from AuNP alone. In vivo studies in ethylene glycol-induced urolithiatic rats revealed significant improvement in urinary parameters, renal biochemistry (creatinine, urea, SGPT, SGOT), hematological markers, and histopathology, especially in the PPE-AuNP-treated group. PPE-AuNP treatment normalized urinary appearance, reduced serum creatinine and blood urea nitrogen (BUN), and restored renal architecture with minimal degeneration. The enhanced therapeutic effects of PPE-AuNPs are attributed to their bioactive phenolic surface ligands and colloidal stability. Overall, this study demonstrates the synergistic efficacy of PPE-AuNPs as a potent, green nanotherapeutic agent for urolithiasis, offering antioxidant, antibacterial, and nephroprotective effects with promising translational relevance.

}, doi = {https://doi.org/10.1007/s12668-025-02194-w}, author = {Mundhewadikar, Dhananjay M. and Bhalerao, Minal R. and Vairale, Shiva and Sabir, Safiya and Mote, Chandrashekhar and Chowdhury, Chiranjit and Agawane, Sachin B.} } @article {49895, title = {Growth of structural lengthscale in Kob-Andersen binary mixtures: Role of medium range order}, journal = {Journal of Chemical Physics}, volume = {163}, year = {2025}, month = {NOV }, pages = {204505}, type = {Article}, abstract = {

A central and extensively debated question in glass physics concerns whether a single, growing lengthscale fundamentally controls glassy dynamics, particularly in systems lacking obvious structural motifs such as the Kob-Andersen binary Lennard-Jones (KALJ) model. In this work, we investigate structural and dynamical lengthscales in supercooled liquids using the KALJ model in two compositions: 80:20 and 60:40. We compute the dynamical lengthscale from displacement-displacement correlation functions and observe a consistent growth as temperature decreases. To explore the static counterpart, we use a structural order parameter (SOP) based on the mean field caging potential. While this SOP is known to predict short time dynamics effectively, its bare correlation function reveals minimal spatial growth. Motivated by recent findings that long time dynamics reflect collective rearrangements, we perform spatial coarse-graining of the SOP and identify an optimal lengthscale L-max that maximizes structure-dynamics correlation. We show that the structural correlation length derived from SOP coarse-grained over L-max exhibits clear growth with cooling and closely tracks the dynamical lengthscale, especially for A particles in the 80:20 mixture and for both A and B particles in the 60:40 system. Our results reconcile the previously observed absence of static length growth in the KALJ model by highlighting the necessity of intermediate range structural descriptors. Furthermore, we find that the particles with larger structural length growth also correspond to species with latent crystallization tendencies, suggesting a possible link between structural order, dynamics, and incipient crystallization.

}, issn = {0021-9606}, doi = {10.1063/5.0292633}, author = {Kumawat, Sanket and Sharma, Mohit and Nandi, Ujjwal Kumar and Tah, Indrajit and Bhattacharyya, Sarika Maitra} } @article {49886, title = {Harnessing microRNAs and their targets for salt stress tolerance in Pandanus odorifer}, journal = {Journal of Plant Biochemistry and Biotechnology}, volume = {34}, year = {2025}, month = {SEP}, pages = {714-730}, type = {Article}, abstract = {

Salinity poses a formidable challenge to agriculture, detrimentally impacting plant growth and the yield of several crops globally. Pandanus odorifer (Forssk.) Kuntze is a highly salt-stress resilient plant that grows naturally along the coastal regions of Asia, Southeast Asia, and Polynesia. It is frequently found as a frontier species along the sandy shores receiving constant salt sprays. MicroRNAs (miRNAs) play essential regulatory roles in growth, development, and combating various biotic and abiotic stresses. Thus, characterizing miRNAs and their targets is critical to understanding their roles in salt stress tolerance. Through a rigorous analysis based on homology, secondary structure and signatures of other miRNA genes, we identified 52 conserved nonredundant miRNAs from the P. odorifer transcriptome data. These miRNAs were diverse and belonged to 23 miRNA phylogenetic families. Several miRNAs, including pod-MIR156a, pod-MIR164d, and pod-MIR535d, demonstrated distinct expression patterns in response to salt stress. Their target genes exhibited opposing expression trends, corroborating the intricate miRNA-target relationship. Delving deeper into their influence, we discovered that these miRNAs mainly targeted transcription factors that are known for their pivotal roles in stress responses. We also detected four miRNA-star (miRNA*) sequences (the complementary strands of functional mature miRNAs), which supports the authenticity of the identified miRNAs. This study unveils the intricate regulatory mechanism through which miRNAs may reinforce salt stress tolerance in P. odorifer, providing a promising avenue for enhancing crop resilience to various stresses through miRNA-based strategies.

}, keywords = {Abiotic stress, microRNA, miRNA targets, Salinity tolerance, salt stress, Transcription factors}, issn = {0971-7811}, doi = {10.1007/s13562-025-00971-y}, author = {Rashmi, Deo and Barvkar, Vitthal T. and Nadaf, Altafhusain B. and Kadoo, Narendra Y.} } @article {49590, title = {Heteroatom-synergistic effect on anchoring polysulfides in chalcone-linked nanographene covalent organic frameworks for high-performance Li--S batteries}, journal = {Advanced Science}, volume = {12}, year = {2025}, month = {APR}, type = {Article}, abstract = {

Lithium-sulfur (Li \& horbar;S) batteries are an attractive option for future energy storage devices because they offer higher theoretical specific capacity, energy density, and cost-effectiveness than commercial lithium-ion batteries. However, the practical applications of Li \& horbar;S batteries are significantly limited by the shuttle effect caused by intermediate lithium polysulfides (LiPSs) and slow redox kinetics. In this study, the molecular engineering of chalcone-linked, sp(2)-bonded nanographene-type covalent organic frameworks (COFs) as sulfur hosts is reported to enhance interactions with LiPSs, thereby effectively suppressing the shuttle effect. The developed sulfur-hosting cathode material demonstrated outstanding battery performance, surpassing most reported materials by achieving a specific capacity of 1228 mA h g(-1) at 0.5C, with 80\% retention after 500 cycles and an average Coulombic Efficiency (C.E.) of 99\%. Additionally, the mechanisms of sulfur immobilization, the subsequent conversion into lithium polysulfides (LiPSs), and their binding energies with COFs are investigated using density functional theory (DFT) calculations. These findings offer valuable insights into the structure-property relationships essential for developing more efficient sulfur-hosting cathodes.

}, keywords = {anion-pi interaction, covalent organic frameworks, lithium-sulfur battery, nanographene, polysulfide shuttle}, doi = {10.1002/advs.202415897}, author = {Ranjeesh, Kayaramkodath Chandran and Javaregowda, Bharathkumar H. and Gaber, Safa and Bhauriyal, Preeti and Kumar, Sushil and Skorjanc, Tina and Finsgar, Matjaz and Heine, Thomas and Krishnamoorthy, Kothandam and Shetty, Dinesh} } @article {49555, title = {High levels of sinigrin trigger synthesis of fatty acids in Plutella xylostella (L.)}, journal = {Comparative Biochemistry and Physiology D-Genomics \& Proteomics}, volume = {54}, year = {2025}, month = {JUN}, pages = {101424}, type = {Article}, abstract = {

Diamondback moth (Lepidoptera: Plutellidae; Plutella xylostella L.) is a specialist insect of the Brassicaceae family, damaging economically important crops, such as cabbage and cauliflower. Glucosinolates, also known as {\textquoteleft}mustard oil bombs{\textquoteright} are present in all Brassicaceae members, of which sinigrin (allyl-glucosinolate or 2-propenylglucosinolate) is a major aliphatic compound. During herbivory, glucosinolates are converted to toxic isothiocyanates that deter insect pests. P. xylostella possesses glucosinolate sulfatases that desulfate them. Such a conversion renders them unfit for degradation to toxic products. Changes in the larval performance prompted us for RNA sequencing to understand probable adaptation mechanism under sinigrin stress. Differentially expressed genes were found to be related to larval cuticle proteins. Further, gene ontology and KEGG (Kyoto Encyclopedia of Genes and Genomes) analyses depict genes belonging to the categories, integral component of membrane, cellular processes and those involved in biosynthesis of fatty acids. Upregulation of cuticular genes viz. larval cuticle protein-17 (LCP-17), cuticular protein-19 (2CP-19) and ATP binding cassette transporter C7 (ABCC7), ABCC16 was validated by qRT-PCR. Liquid chromatography quadrupole time of flight mass spectrometry analysis of whole larvae feeding on sinigrin and their separated cuticle, depicted abundance of fatty acids. Changes in the topography of the larval cuticle were evident by scanning electron microscopy. Expression of PxABCH1 was corroborated to its role in the transport of cuticular lipids. Notably, molecular docking of PxABCH1 with cuticular fatty acids showed favorable binding interactions. To summarize, integrated transcriptomic and metabolomic analyses suggest that in response to a diet containing a high dose of sinigrin, P. xylostella re-programs metabolic pathways related to fatty acid biosynthesis that directly influence insect development.

}, keywords = {ABC transporter, Cuticle, Host metabolite, Metabolome, Plutella xylostella, Sinigrin, Transcriptome}, issn = {1744-117X}, doi = {10.1016/j.cbd.2025.101424}, author = {Barve, Pranoti R. and Barvkar, Vitthal T. and Giri, Ashok P. and Kotkar, Hemlata M.} } @article {49901, title = {Highly moisture-stable ferroelectric ammonium phosphate salt showing piezoelectric energy harvesting and rotation sensing applications}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JUL}, pages = {22574-22582}, type = {Article}, abstract = {

Ferroelectric phosphate-based materials are known for their biocompatibility, dipole switching, and high thermal stability. In this context, we report a novel organic ferroelectric material, diisopropylammonium bis(4-nitrophenyl) phosphate (DIPABNPP), crystallizing in the monoclinic C2 space group. DIPABNPP exhibits a high second harmonic generation (SHG) efficiency 2.5 times higher than that of potassium dihydrogen phosphate (KDP). The ferroelectric nature of DIPABNPP was confirmed by the observation of a rectangular P-E hysteresis loop, which gave a saturated polarization value of 6.82 mu C cm-2. The ferroelectric polar domains of DIPABNPP, along with the bias-dependent amplitude butterfly and phase hysteresis loops, were visualized by piezoresponse force microscopy (PFM). Furthermore, the polydimethyl siloxane (PDMS) composites of DIPABNPP enabled the fabrication of humidity-resistant piezoelectric nanogenerators (PENGs) with energy harvesting and mechanical-electrical sensing capabilities. The top-performing 10 wt\% DIPABNPP-PDMS device achieved a peak output voltage of 9.5 V and a charge storage efficiency of 81.8\%, successfully powering 53 LEDs. Additionally, its rapid response time of 18.5 ms enables precise rotation sensing capabilities, suggesting potential applications in motion monitoring, such as revolution per minute (RPM) counting. We also present a unique and refined method for obtaining the output work efficiency (OWE) parameter, which quantifies the ratio of harvested electrical energy to the maximum elastic energy stored in the composite device, taking into consideration several key parameters during the PENG measurements. For the 10 wt\% DIPABNPP-PDMS composite, an OWE of 13.1\% was achieved, highlighting both its current performance and potential for optimization. This metric provides a standardized approach for evaluating PENGs, addressing a critical gap in assessing mechanical-to-electrical energy conversion efficiency.

}, issn = {2050-7488}, doi = {10.1039/d5ta01846c}, author = {Kushwaha, Vikash and Prajesh, Neetu and Gopal, Animesh and Sahoo, Supriya and Deswal, Swati and Kirana, Antonysylvester and Shanmuganathan, Kadhiravan and Zareba, Jan K. and Boomishankar, Ramamoorthy} } @article {49573, title = {Hydrogel electrolyte-mediated in situ Zn-anode modification and the Ru-RuO2/NGr-coated cathode for high-performance solid-state rechargeable Zn-air batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {3188-3204}, type = {Article}, abstract = {

This work aims to deal with the challenges associated with designing complementary bifunctional electrocatalysts and a separator/membrane that enables rechargeable zinc-air batteries (RZABs) with nearly solid-state operability. This solid-state RZAB was accomplished by integrating a bifunctional electrocatalyst based on Ru-RuO2 interface nanoparticles supported on nitrogen-doped (N-doped) graphene (Ru-RuO2/NGr) and a dual-doped poly(acrylic acid) hydrogel (d-PAA) electrolyte soaked in KOH with sodium stannate additive. The catalyst shows enhanced activity and stability toward the two oxygen reactions, i.e., oxygen reduction and evolution reactions (ORR and OER), with a very low potential difference (Delta E) of 0.64 V. The computational insights bring out the electronic factors contributing to the enhanced catalytic activity of Ru-RuO2/NGr based on the charge density difference (CDD) between the interfaces. The disadvantages of the existing solid-state RZABs, such as their limited lifespan brought on by passivation, dendritic growth, corrosion, and shape change, have also been taken into account. The introduction of the stannate additive to the electrolyte induced an in situ Zn-anode modification, which subsequently improved the interfacial stability of the ZABs and, hence, the battery life cycles. The experimental observations reveal that, during the charging process, the Sn nanoparticles enable the homogeneous Zn deposition on the surface of the anode. Thus, the in situ Zn-anode surface modification assisted in achieving a high-rate cycle capability, viz., the homemade catalyst-based system exhibited continuous charge-discharge cycles for 20 h at a current density of 2.0 mA cm-2, with each cycle lasting for 5 min.

}, keywords = {Bifunctional Electrocatalyst, Core-ShellStructure, DFT study, electrolyte additive, Hydrogel, solid-state rechargeable zinc-airbattery, X-ray absorption spectroscopy}, issn = {1944-8244}, doi = {10.1021/acsami.4c14231}, author = {Kharabe, Geeta Pandurang and Verma, Tushar and Barik, Sidharth and Urkude, Rajashri R. and Ayasha, Nadeema and Ghosh, Biplab and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {49807, title = {Hypersilylsilylene-supported Ni(0) toluene and Ni(II) complexes with catalytic application}, journal = {Organometallics}, volume = {44}, year = {2025}, month = {NOV}, pages = {2646-2653}, type = {Article}, abstract = {

The reaction of Ni(COD)2 with [PhC(NtBu)2SiSi(SiMe3)3] (1) in toluene results in the formation of an 18-electron silylene-Ni(0) toluene complex (2). The analogous reaction with 1,3-DFB instead of toluene affords the C-H activation followed by ring walking leading to the allylic cyclooctene adduct, the (eta 3-C8H13)Ni(II) complex (3). DFT calculations were carried out to elucidate the mechanism as well as to gain insight into why 1,3-DFB undergoes C-H bond activation instead of C-F bond activation. The use of NiCl2DME permits access to 16-electron (tetrylene)2NiCl2 (Si(4) and Ge(5)) species, and 4 was later used as a catalyst for the C-N coupling reaction.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.5c00303}, author = {Ajithkumar, V. S. and Bisai, Milan Kumar and Ghanwat, Pratiksha B. and Raj, K. Vipin and Singh, Geetika and Vanka, Kumar and Sen, Sakya S.} } @article {49412, title = {Hypervalent-iodine-mediated base-free oxidative olefination of benzylic amines to access α,β-unsaturated ketones}, journal = {Synlett}, volume = {36}, year = {2025}, month = {AUG}, pages = {556-560}, type = {Article}, abstract = {

We report a one-pot base-free protocol for the oxidative olefination of benzylic amines promoted by a hypervalent iodine reagent for the synthesis of alpha,beta-unsaturated ketones. Mechanistically, (diacetoxyiodo)benzene oxidizes the benzylic amine to the corresponding imine, which, on reaction with a phenacyl(triphenyl)phosphonium bromide salt and an in situ generated acetoxy anion leads to an alpha,beta-unsaturated ketone. A wide range of alpha,beta-unsaturated ketones were easily accessed through direct oxidative olefination of substituted benzylic amines in good to excellent yields and with high E -selectivity.

}, keywords = {benzylic amines, enones, hypervalent iodine, olefination, Oxidation}, issn = {0936-5214}, doi = {10.1055/s-0043-1775392}, author = {Rupanawar, Bapurao D. and Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {49940, title = {Identification of genetic variations linked to buparvaquone resistance in Theileria annulata infecting dairy cattle in India}, journal = {Plos One}, volume = {20}, year = {2025}, month = {JUL}, pages = {e0326243}, type = {Article}, abstract = {

Buparvaquone (BPQ) is used for the treatment of bovine theileriosis, a tickborne disease caused by parasites of the Theileria genus. Studies on T. annulata have linked the mechanism of BPQ resistance predominantly to genetic variations in the parasite cytochrome b (cytb) gene. In addition, cryptic mechanisms of resistance involving the parasite peptidyl-prolyl isomerase (pin1) and dihydroorotate dehydrogenase (dhodh) genes require assessment. In India, where bovine theileriosis is endemic, and BPQ is widely used for treatment, it is necessary to establish the prevalence of genetic variations linked to BPQ resistance. In this study, multiplexed PCR amplification and nanopore sequencing method was used for genotyping the complete gene loci of the three target genes. Analysis of 454 T. annulata field samples collected from seven different states of India revealed the presence of previously reported BPQ resistance associated variations S129G, A146T and P253S in cytb gene and A53P in pin1 gene. The A146T and I203V variations in cytb were found to be prevalent and mostly co-occurring, and their role in BPQ resistance needs further evaluation. This study has revealed the presence of previously reported BPQ resistance-linked mutations in cytb and pin1 genes in T. annulata infecting dairy cattle in India and establishes an Oxford nanopore sequencing method suitable for large-scale surveillance of genetic variation in Theileria parasites from field samples.

}, doi = {10.1371/journal.pone.0326243}, author = {Musale, Pankaj and Khilari, Ajinkya and Gade, Rohini and Dhanikachalam, Velu and Jadhav, Santoshkumar and Bajpai, Manali and Turakani, Bhagya and Joshi, Akshay and Prajapati, Amar and Srivastava, Anand and Swaminathan, Marimuthu and Joshi, Sachin and Shanmugam, Dhanasekaran} } @article {50003, title = {Immobilization of aldehyde reductase for the production of bioplastic precursors from agricultural fatty acids}, journal = {RSC Sustainability}, volume = {3}, year = {2025}, month = {JUL}, pages = {3910-3914}, type = {Article}, abstract = {
Herein, we report the biosynthesis of bioplastic precursors thourgh the immobilization of aldehyde reductase (AHR) onto a metal organic framework (UIO-66-NH2). Kinetic analysis demonstrated that the immobilized AHR maintained significant catalytic activity and exhibited improved operational stability, as well as higher reusability, compared with the free AHR. Furthermore, the synthetic applicability of the immobilized AHR was evaluated in tandem with that of transaminase derived from\ S. pomeroyi\ (spTA), where 8, 10, and 12 carbon chain ω-amino fatty acids (ω-AFAs) were biosynthesized from the corresponding hydroxy fatty acids (ω-HFAs) with \~{}90\% conversions.
Herein, we report the biosynthesis of bioplastic precursors\ via\ the immobilization of aldehyde reductase (AHR) onto a metal organic framework (UIO-66-NH2).

}, doi = {https://doi.org/10.1039/d5su00311c}, author = {Mohne, Devesh and Reddy, Yeddula Nikhileshwar and Rawat, Kshitij and Patil, Mahesh D. and Bhaumik, Jayeeta} } @article {49703, title = {In situ solid-state synthesis of nitrogen-enriched porous carbon nanosheets from petroleum coke for lithium-ion hybrid capacitors}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {MAY}, pages = {10053-10069}, type = {Article}, abstract = {

Lithium-ion capacitors (LICs) have emerged as a next-generation energy storage technology, offering a unique balance between the high energy density of lithium-ion batteries and the fast charge-discharge capability of supercapacitors. However, the development of high-performance anode materials remains a major challenge due to the trade-off between capacity, rate capability, and long-term cycling stability. Herein, we report a novel in situ solid-state synthesis approach for the scalable production of nitrogen-enriched porous carbon nanosheets (mBG1) from petroleum coke, an abundant industrial byproduct. The hierarchical porosity and optimized nitrogen functionalities of mBG1 facilitate rapid lithium-ion diffusion, enhanced electronic conductivity, and robust structural stability. Electrochemical characterization in lithium-ion half-cells demonstrates an exceptional specific capacity of 388 mAh g-1 at 0.1 A g-1, with an outstanding capacity retention of 92.7\% over 1000 cycles (261.2 mAh g-1) at 1 A g-1. To validate its practical applicability, a full LIC coin cell was fabricated using mBG1 as the anode and commercial super activated carbon (super AC) as the cathode, achieving a specific capacitance of 44 F g-1 at 1 A g-1, a high energy density of 93.29 Wh kg-1 at 0.5 A g-1, and an impressive power density of 20.34 kW kg-1 at 10 A g-1, with 74\% capacitance retention after 5000 cycles. The integration of ultrahigh nitrogen doping, hierarchical porosity, and scalable synthesis techniques offers a new pathway for designing next-generation lithium-ion capacitors with enhanced efficiency, stability, and economic viability. These findings establish mBG1 as a high-performance, scalable, and sustainable anode material for next-generation LICs, offering a transformative pathway for the valorization of petroleum coke in advanced energy storage applications.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5c00716}, author = {Benoy, Santhi Maria and Das, Anoushka K. and Sarmah, Debashis and Pawar, Meenakshi and Shelke, Manjusha V. and Saikia, Binoy K.} } @article {49839, title = {Influence of hydrophilic/hydrophobic diols on the properties of polyurethane hydrogels: solvent-free one-pot synthesis}, journal = {Journal of Materials Chemistry B}, volume = {13}, year = {2025}, month = {SEP}, pages = {11010-11019}, type = {Article}, abstract = {

Herein, we report the design and synthesis of bio-degradable porous polyurethane hydrogels by a green, solvent-free, one-pot technique that can withstand physiological mechanical loads and aid in tissue regeneration. The hydrophilic/hydrophobic nature of the hydrogel was tuned using diols such as polycaprolactone diol (PCL) and polycarbonate diol (PCD), in combination with polyethylene glycol (PEG, MW approximate to 4000 g mol-1), 4,4 {\textquoteleft}-methylene bis(cyclohexyl isocyanate) (H12MDI) and hexanetriol (HT), which served as crosslinking agents. The structural characterizations of the hydrogels were performed using FT-IR as well as 1H and 13C high resolution magic angle spinning nuclear magnetic resonance (HR-MAS) spectroscopy. The utilization of various diols in the synthesis of the hydrogels enabled precise control over crystallinity, pore sizes, and customization of mechanical and degradation properties. These hydrogels exhibited tensile strength in the range of 0.22-1.48 MPa, while their compressive strength varied from 0.92 to 29.3 MPa. In vitro degradation profiles in the presence and absence of the enzyme Amano lipase PS revealed that the degradation process is contingent upon the specific diol present in the hydrogel. Furthermore, preliminary in vitro biological experiments confirmed the biocompatibility of the gels, indicating their potential as suitable substrates for drug delivery applications. This diverse library of gels can be shaped into specific forms, highlighting their promising applications as scaffolds and implants in drug delivery systems and tissue engineering.

}, issn = {2050-750X}, doi = {10.1039/d5tb00928f}, author = {Divakaran, Anumon V. and Nair, Sanoop B. and Karambe, Shivani S. and Wadgaonkar, Prakash P. and Nair, Kiran Sukumaran and Badiger, Manohar V.} } @article {49812, title = {Influence of physicochemical properties of seed on template-free ferrierite synthesis and its application in oleic acid isomerization}, journal = {Journal of Chemical Sciences}, volume = {137}, year = {2025}, month = {JUL}, pages = {62}, type = {Article}, abstract = {

We have reported an effective, seed-assisted organic structure directing agent (OSDA) free synthesis of ferrierite (FER) zeolites. In the current study, we have observed effects of physicochemical properties of two different seeds over synthesis of FER zeolites. The physicochemical properties of seeds, such as particle size and phase purity impart significantly over crystallization time and overall synthesis duration, costs of process and crystalline nature of FER zeolites. It is noteworthy that particle size of seed mainly affects the kinetics of crystallization for concerned FER zeolites. The synthesized zeolites were well characterized by XRD, FESEM, TEM, Raman spectroscopy, 27Al and 29Si MAS NMR, EDAX and BET surface area analyser to get more insights. We also evaluated, the catalytic activity of synthesized FER zeolites in oleic acid isomerization study to derive branched-chain fatty acids formation and attempted their structure and catalytic activity relationship with respect to purity of phases in seed.

}, keywords = {crystallization kinetics, Ferrierite seed, oleic acid isomerization, OSDA-free synthesis}, issn = {0974-3626}, doi = {10.1007/s12039-025-02387-6}, author = {Patil, Shrinidhi D. and Mohanty, Ananya and Kudalkar, Mahadev and Niphadkar, Prashant S. and Bhatte, Kushal D. and Bokade, Vijay V.} } @article {49874, title = {Insights into the Chemical Durability and Structure of ZnO-Incorporated Sodium Borosilicate Glasses from Solid-State NMR}, journal = {Journal of Physical Chemistry B}, volume = {129}, year = {2025}, month = {JUL}, pages = {7349-7360}, type = {Article}, abstract = {

ZnO-incorporated NBS glasses have been studied for their application as a matrix for nuclear waste immobilization. However, structural factors affecting chemical durability have not been established. In this study, the structural changes in NBSZn glasses across various Na2O/(B2O3 + ZnO) ratios are explored using multinuclear MAS, MQMAS NMR, and EXAFS techniques. The Na MAS and MQMAS studies reveal remarkable changes in the Na environment after ZnO incorporation, which leads to an increase in chemical durability. Based on the results from NMR and EXAFS, we rationalized the structure of this glass in terms of the modified random network (MRN) model. The glass network comprises a highly polymerized region and alkali percolation channels bordered by nonbridging oxygens from the depolymerized regions. The constriction of these percolation channels increases the chemical durability of the glass. Our findings will help in the advancement of Zn-containing NBS glasses as a promising matrix for nuclear waste immobilization.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c07210}, author = {Illath, Kavya and Ananthanarayanan, Arvind and Banerjee, D. and Mishra, R. K. and Kumar, Ravi and Bhattacharya, D. and Kumar, Sanjay and Manohar, S. and Ajithkumar, T. G.} } @article {49845, title = {Integrated analysis of mitochondrial ETC inhibition reveals genotype-specific heterogeneity of drug response in glioblastoma}, journal = {Biochemical and Biophysical Research Communications}, volume = {787}, year = {2025}, month = {NOV }, pages = {152798}, type = {Article}, abstract = {

Glioblastoma (GBM) is among the most aggressive brain cancers, driven by genetic diversity and resistance to therapy. Mitochondrial metabolism-and in particular the electron transport chain (ETC)-has emerged as both a key weakness and a source of variable drug response. To investigate this, we integrated constraint-based metabolic modeling (CBM), high-resolution drug profiling, and genomic sequencing across three GBM cell models: LN229, U87MG, and neurospheres (NSP). Modeling predicted distinct ETC vulnerabilities, which were confirmed experimentally using inhibitors against Complexes I-V. Sensitivity to rotenone varied sharply: NSP cells were most vulnerable (IC50 = 0.007 mu M), LN229 showed intermediate sensitivity (0.021 mu M), and U87MG remained highly resistant (1.816 mu M). Across inhibitors, LN229 consistently showed steep dose-response slopes, U87MG maintained flat curves, and NSP displayed selective weaknesses. By incorporating slope (m) and Instantaneous Inhibitory Potential (IIP), median-effect analysis captured dynamic drug-response behaviour{\textquoteright}s that IC50 values alone overlooked. Genomic sequencing revealed striking differences in mutational burden: U87MG and NSP carried 354 and 307 single nucleotide polymorphisms (SNPs), respectively, compared with 141 in LN229. Several non-synonymous mutations were directly linked to altered drug sensitivity, including L194S, Y50 N, and L46V in LN229; S456L, A466T, and Y629F in U87MG; and the NSP-specific R159Q. Notably, mutations near catalytic sites correlated with changes in slope and IIP, providing mechanistic insight into therapeutic response. Together, these results show how genetic variation reshapes ETC function and drug sensitivity in GBM, offering a predictive framework for mutation-informed, personalized therapy.

}, keywords = {Drug dose response, Electron transport chain, Glioblastoma, IC50 value, Instantaneous inhibitory potential, Mitochondrial genome}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2025.152798}, author = {Belekar, Madhuri and Kavatalkar, Vijendra and Yadav, Ritu and Raghunathan, Anu} } @article {49863, title = {An integrated paradigm to understand the antibacterial and antifungal potential of bimetallic core-shell platinum silver (Pt@Ag) nanoparticles: A one health approach}, journal = {Microbial Pathogenesis}, volume = {209}, year = {2025}, month = {DEC}, pages = {108120}, type = {Article}, abstract = {

The concurrent occurrence of various microbial infections escalates the need to develop new treatments that can tackle multiple microbes and improve clinical outcomes. This study reports the synthesis and comprehensive evaluation of core-shell platinum-silver nanoparticles (Pt@AgNPs) designed to elucidate the antimicrobial effects while ensuring biocompatibility. The synthesis protocol was meticulously optimized to investigate the impact of precursor concentrations and reagent conditions. High-end characterization confirmed the formation of a welldefined core-shell structure with spherical morphology, crystalline nature, a face-centred cubic (FCC) lattice, high monodispersity, and stability, with a mean size of 20.344 +/- 4.492 nm. The antimicrobial potential of Pt@AgNPs was validated through a minimum inhibitory concentration (MIC) assay, revealing potent activity with MIC values of 15.6 mu g/mL for Pseudomonas aeruginosa and Staphylococcus aureus and 3.9 mu g/mL for Escherichia coli. Antibiofilm assay demonstrated significant inhibition of biofilm formation by P. aeruginosa at concentrations as low as 3.9 mu g/ml. The nanoparticles also exhibited notable antifungal activity, as indicated by an inhibition of 65.19 \% for Aspergillus niger and 61.82 \% for Fusarium verticillioides. Furthermore, hemocompatibility was noticed with the hemolysis assay, and the antioxidant properties of nanoparticles, assessed through the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, underscored their potential to mitigate oxidative stress. This integrative study positions Pt@AgNPs as a promising platform for combating the occurrence of co-infections. The core-shell nanoparticle serves as a versatile tool in antimicrobial defence, exhibiting antibacterial, antifungal, antibiofilm, and antioxidant activity. Thus, it highlights their commercial translational potential as a next-generation antimicrobial intervention.

}, keywords = {Antibacterial, antibiofilm, antifungal, Antioxidant, Co-infections, Pt@Ag nanoparticles}, issn = {0882-4010}, doi = {10.1016/j.micpath.2025.108120}, author = {Bamb, Aagam Lalit and Varma, Sanjana and Gade, Tejas Subhash and Palaskar, Shahaji and Vamkudoth, Koteswara Rao and Vyawahare, Niraj and Chaudhari, Pallavi M. and Chaudhari, Bhushan P.} } @article {49922, title = {Integrating thermal actuation and acidochromism in schiff base molecular crystals}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {DEC}, pages = {10527-10540}, type = {Article}, abstract = {

Crystalline materials capable of responding to multiple external stimuli have garnered considerable attention in recent years due to their promising potential for various applications in smart materials, sensing, and actuation. In this paper, we report the synthesis and characterization of two developed linker-based Schiff base molecular crystals, designated as 1 and 2, both of which exhibit two distinct reversible stimuli-responsive behaviors: (i) a thermal expansion-contraction response during repeated heating and cooling cycles and (ii) a reversible acidochromic color change upon sequential exposure to acidic and basic vapors. Importantly, these two reversible responses are governed by entirely distinct underlying processes. The thermal expansion-contraction behavior is driven by a martensitic phase transition, from a low-temperature phase to a high-temperature phase, which involves rapid and reversible lattice displacive rearrangements. In contrast, the acidochromic color change arises from a disruption in the electronic conjugation within the molecular framework, where the system undergoes a transformation from an A-pi-D-pi-A (acceptor-pi-donor-pi-acceptor) configuration to an A-pi-A-pi-A (acceptor-pi-acceptor-pi-acceptor) configuration upon protonation, manifested by a distinct shift in optical absorption properties. The unique combination of these two reversible phenomena-thermal expansion-contraction and acidochromic responses-within a single material system offers significant potential for advanced applications, particularly in the development of acid-sensitive sensors and thermally responsive microactuators.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5c01283}, author = {Nag, Sayak and Bhowmik, Aritra and Mishra, Manish Kumar and Ghosh, Soumyajit} } @article {49546, title = {Interrupted borrowing hydrogen strategy enabled aminomethylation and direct cross-dehydrogenative coupling strategy enabled dicarbonylation reactions of imidazo[1,5-a]pyridines}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {FEB}, pages = {3021-3024}, type = {Article}, abstract = {

Herein, we disclose the development of novel aminomethylation and dicarbonylation reactions of imidazo[1,5-a]pyridines. The developed aminomethylation strategy involves a Pd-catalyzed interrupted borrowing hydrogen strategy by utilizing MeOH as the methylene source. A wide variety of imidazo[1,5-a]pyridines and secondary amines were explored for the developed strategy. The established imidazo[1,5-a]pyridine dicarbonylation strategy involves a catalyst/additive-free direct cross-dehydrogenative coupling reaction between imidazo[1,5-a]pyridines and 2-oxoaldehydes.

}, issn = {1359-7345}, doi = {10.1039/d4cc06272h}, author = {Mahajan, Shivangani and Bag, Debojyoti and Kour, Harpreet and Sawant, Sanghapal D.} } @article {49918, title = {Investigating the design of ssPalmO-derived lipid nanoparticles for mRNA delivery applications using molecular dynamics simulations}, journal = {ACS Omega}, volume = {10}, year = {2025}, month = {DEC}, pages = {61256-61267}, type = {Article}, abstract = {

The rational design of lipid nanoparticles (LNPs) is essential for the effective transport of drugs and genetic material, as their structural and dynamic properties are heavily influenced by lipid composition and functional group modifications. In this study, we employed molecular dynamics simulations with density functional theory (DFT) derived force fields to investigate the bilayer properties of ssPalmO lipids, their phenyl ester (ssPalmO-phe) and benzyl ester (ssPalmO-ben) derivatives, as well as their cis and trans isomers. While all systems formed stable bilayers, cis-ssPalmO deviated by adopting a flexible, nonlamellar architecture. Trans isomers of ssPalmO-phe and ssPalmO-ben exhibited greater bilayer thickness, packing density, and order parameters due to stronger intramolecular chain interactions, while their aromatic substituents reduced lateral diffusion relative to ssPalmO. Trans isomers exhibited lower electrostatic potential differences, which increased upon incorporation of helper lipids, concomitantly enhancing bilayer packing and thickness while suppressing diffusion. These results clarify how lipid functionalization, stereochemistry, and helper lipid composition modulate bilayer organization, offering molecular level guidance for rational LNP design in drug and mRNA delivery.

}, issn = {2470-1343}, doi = {10.1021/acsomega.5c05079}, author = {Barange, Anjana and Luwang, Meitram Niraj and Meena, Santosh Kumar} } @article {49821, title = {Ketenimine multicomponent strategy for multifaceted amidine functionalization of peptides on the solid phase}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {SEP}, type = {Article}, abstract = {

The amidine group and its derivatives serve as proteolytically stable bioisosteres of the peptide bond, and their selective incorporation into peptides attributes significant chemical and biological features. This study introduces an efficient synthesis of amidine-containing peptides by a copper-catalyzed, solid-phase-compatible multicomponent reaction (MCR), leveraging ketenimine intermediates that are generated in situ. Through the reaction of sulfonyl azides with terminal alkynes and a wide variety of amines, we establish the robust on-resin synthesis of delta/epsilon-amidine amino acids, arginine isologues, fluorescently labeled peptides, drug-peptide hybrids, and PEGylated derivatives. This strategy notably supports a wide range of peptide modifications, including side chain alteration, amine functionalization, and peptide macrocyclization through both backbone and side chain groups, as well as incorporating aromatic scaffolds into the peptide backbone. The methodology demonstrates broad substrate tolerance, compatibility with peptide chemistry protocols, and access to complex motifs, including pharmacophores and imaging tags, all within a single reaction platform. Our results underscore the synthetic versatility and functional applicability of ketenimine-based MCRs for advanced peptide modification, expanding the chemical space of peptide medicinal chemistry and therapeutics.

}, keywords = {Amidines, multicomponent reactions, peptide modification, Peptide-small molecule hybrids, Solid phase peptide synthesis}, issn = {1433-7851}, doi = {10.1002/anie.202509854}, author = {Bodake, Supriya Mahadev and Marelli, Udaya Kiran} } @article {49938, title = {LDH-dsRNA nanocarrier-mediated spray-induced silencing of juvenile hormone degradation pathway genes for targeted control of Helicoverpa armigera}, journal = {International Journal of Biological Macromolecules}, volume = {332}, year = {2025}, month = {DEC}, pages = {148673}, type = {Article}, abstract = {

Helicoverpa armigera, a devastating agricultural pest, poses significant threats to global crop productivity. Targeting the Juvenile Hormone (JH) degradation pathway may offer a promising approach for pest management, given its pivotal role in insect development and reproduction. In this study, we developed a nanoclay-based formulation of double-stranded RNA (dsRNA) targeting three key JH degradation pathway genes: Juvenile Hormone Esterase (HaJHE), Juvenile Hormone Epoxy Hydrolase (HaJHEH), and Juvenile Hormone Diol Kinase (HaJHDK). Expression analysis revealed tissue and stage-specific patterns of these genes, with qRT-PCR confirming high expression levels of specific isoforms in key developmental transition: the pre-pupal stage. Treatment with bacterially expressed dsRNAs achieved \>50 \% silencing of target genes, resulting in delay in larval-to-pupal transitions. Bioassay demonstrated that treatment with LDH-based dsRNA nanocarrier resulted in downregulation of target genes, causing developmental delays, including prolonged larval and pupal stages. Metabolomic analysis further indicated reduced accumulation of JH degradation pathway metabolites, highlighting the pathway-specific action of dsRNAs. Furthermore, combinatorial application of dsRNAs resulted in higher mortalities compared to individual dsRNA application. These results suggest that the application of the LDH-based dsRNA nanocarrier formulation against H. armigera JH degradation pathway for spray-induced gene silencing could serve as a potential insect management strategy.

}, keywords = {Development, dsRNA, Helicoverpa armigera, Juvenile hormone, Layered double hydroxide, Nanocarrier}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.148673}, author = {Joshi, Kaumudi S. and Barvkar, Vitthal T. and Hadapad, Ashok B. and Hire, Ramesh S. and Joshi, Rakesh S.} } @article {49581, title = {Low-cost gelatin/collagen scaffolds for bacterial growth in bioreactors for biotechnology}, journal = {Applied Microbiology and Biotechnology}, volume = {109}, year = {2025}, month = {MAY}, pages = {113}, type = {Article}, abstract = {

A wide array of pharmaceutical and industrial products available in today{\textquoteright}s market stems from bioreactors. Meeting the escalating demand for these products necessitates significant enhancements in biotechnological processes. This study focuses on developing cost-effective scaffolds designed explicitly for use within bioreactors, employing commonly used polymers such as gelatin and collagen. Bacterial proliferation assays involving Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa were conducted to assess the effectiveness of these scaffolds. The scaffolds were produced by electrospinning polymeric solutions with varying concentrations of gelatin and collagen and were characterized using scanning electron microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. Results revealed that scaffolds with 15\% gelatin increased the 24-h proliferation of S. aureus, P. aeruginosa, and E. coli by 52\%, 35\%, and 20\%, respectively. In the case of E. coli, scaffolds with lower gelatin concentrations (1-10\%) were more effective, leading to 35-55\% proliferation growth. These findings highlight the potential application of gelatin/collagen scaffolds in fabricating industrial products derived from these bacteria.

}, keywords = {Bacterial cell proliferation, collagen, gelatin, Polymeric electrospinning, scaffolds}, issn = {0175-7598}, doi = {10.1007/s00253-025-13491-5}, author = {Pompa-Monroy, Daniella Alejandra and Vera-Graziano, Ricardo and Dastager, Syed G. and Perez-Gonzalez, Graciela Lizeth and Bogdanchikova, Nina and Iglesias, Ana Leticia and Villarreal-Gomez, Luis Jesus} } @article {49704, title = {Manganese(i)-catalyzed dehydrogenative borylation of terminal alkynes}, journal = {Dalton Transactions}, volume = {54}, year = {2025}, month = {JUL}, pages = {10426-10432}, type = {Article}, abstract = {

Compounds containing carbon-boron bonds serve as valuable intermediates for constructing more complex molecules by transforming these bonds into other carbon-element bonds. The catalytic dehydrogenative borylation of carbon-hydrogen bonds using HBpin presents an appealing method for synthesizing carbon-boron bonds. While this approach has been extensively explored with noble metals for various types of carbon-hydrogen bonds, its application with manganese-based catalysts remains rare. This study explores a dehydrogenative borylation process employing an Earth-abundant transition metal catalyst, FcbpyMn(CO)3Br (Mn(i)), in combination with HBpin under mild conditions. Arylalkynes featuring electron-withdrawing, electron-donating, and heteroaryl substituents yielded good to excellent results. Thorough DFT calculations were performed to understand the mechanism.

}, issn = {1477-9226}, doi = {10.1039/d5dt00577a}, author = {Ghanwat, Pratiksha B. and Bora, Debashree and Pandya, Rinu and Vanka, Kumar and Saha, Biswajit and Sen, Sakya S.} } @article {49717, title = {Mechanical flexibility, photosalience, and acidochromism of benzylidene indanone-based molecular crystals}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {JUN}, pages = {4481-4493}, type = {Article}, abstract = {

Molecular crystals that respond to multiple external stimuli are of great interest in smart, responsive materials in various fields. However, the integration of multiple responsive properties within the same crystal still remains a significant challenge for materials scientists due to the complex structural and electronic interactions. Previous studies on benzylidene indanone-based molecular crystals have shown only mechanical plasticity; however, we design crystals to elicit diverse responses to external stimuli, including mechanical stress, light, and acid vapor. Herein, we report two benzylidene indanone derivative-based crystals 1 and 2. Crystal 1 is mechanically brittle and exhibits light-induced photosalient splitting and jumping, attributed to [2 + 2] cycloaddition facilitated by the presence of a vinyl moiety. On the other hand, crystal 2 demonstrates anisotropic mechanical flexibility, exhibiting elasticity on one face and plasticity on alternate faces. Furthermore, crystals 1 and 2 both display reversible acidochromism in response to acid vapor. A detailed structure-property correlation has been established to elucidate the distinct mechanical responses of these molecular crystals. The development of such multistimuli-responsive smart materials holds significant potential for applications in flexible acid sensors, multifunctional responsive smart devices, and actuators, paving the way for advanced smart or intelligent molecular materials with tunable mechanical and optical properties.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5c00389}, author = {Ahamed, Riyaaz and Bhowmik, Aritra and Mishra, Manish Kumar and Ghosh, Soumyajit} } @article {49848, title = {Mechanochemical large-scale rapid synthesis of ultrapure sodium hexafluorophosphate}, journal = {ChemPlusChem}, volume = {90}, year = {2025}, month = {JUL}, type = {Article}, abstract = {

Among the sodium battery electrolytes, sodium hexafluorophosphate (NaPF6) exhibits superior conductivity, anodic stability, and stable cathode electrolyte interface compared to other electrolytes. Therefore, the synthesis of pure NaPF6 through a simple process is very important. Usually, NaPF6 is synthesized using HF. In our approach, NaPF6 is synthesized by grinding dry ammonium hexafluorophosphate (NH4PF6) and sodium metal. Sodium injects an electron into the ammonium ion, which results in the formation of ammonia and hydrogen. The gram scale synthesis is completed in about 30 min. Purification of the product is not needed. The product purity is confirmed by various spectroscopic and electrochemical techniques. Usually, NaPF6 comprises NaF, HF, and solvents as impurities that affect the performance of SIBs. It has been confirmed that the NaPF6 synthesized by our mechanochemical approach in the absence of solvent is devoid of impurities despite the absence of product purification step. Furthermore, the synthesis of pure NaPF6 (250 g) is demonstrated using a grinder used as household item in cooking Indian pancakes, which costs about 300 USD. The duration of the synthesis of 250 g pure NaPF6 is 1 h. The purity of this sample is comparable to that of NaPF6 (5 g) synthesized using mortar and pestle.

}, keywords = {ammonium hexafluorophosphate, Batteries, carbonates, sodium hexafluorophosphate, sodium vanadium phosphate}, issn = {2192-6506}, doi = {10.1002/cplu.202400640}, author = {Senthilkumaran, Marimuthu and Javaregowda, Bharathkumar H. and Rajendran, Prakash Babu and Balasubramanian, Rajalakshmi and Ajithkumar, Thalasseril G. and Ravindranathan, Sapna and Krishnamoorthy, Kothandam} } @article {49706, title = {Mesoporous Fe2O3-TiO2 integrated with plasmonic Ag nanoparticles for enhanced solar H2 production}, journal = {Chemistry-An Asian Journal}, volume = {20}, year = {2025}, month = {MAY}, type = {Article}, abstract = {

Present work describes a sol-gel assisted one-pot synthesis of mesoporous Fe2O3-TiO2 nanocomposites (TiFe) with different Ti : Fe ratios, and fabrication of Ag-integrated with TiFe nanocomposites (TiFeAg) by a chemical reduction method and demonstrated for high solar H2 generation activity in direct sunlight. Enhanced solar H2 production is attributed to the light absorption from entire UV+Visible region of solar spectrum combined with Schottky (Ag-semiconductor) and heterojunctions (TiO2-Fe2O3), as evidenced from HRTEM and various characterization studies. TiFeAg-2 thin film (1 wt \% Ag-loaded TiFe-4) displayed the highest activity with a solar H2 yield of 7.64 mmol h-1g-1, which is 48 times higher than that of bare TiO2 and 5 times higher in thin film form compared to its powder counterpart. Schottky and heterojunctions formed at the interface efficiently separate the charge carriers and increase the hydrogen production activity. The highest H2 production activity of TiFeAg-2 is partly attributed to the heterogeneous distribution of Fe3+ and metallic Ag-species with relatively high Ag/Ti surface atomic ratio. A plausible photocatalytic reaction mechanism on TiFeAg nanocomposite may involve the direct electron transfer from both Fe2O3 and TiO2 to Ag nanoparticles which are subsequently utilized for the reduction of H+ to H2.

}, keywords = {energy conversion, green hydrogen, Photocatalysis, Solar harvesting, water splitting}, issn = {1861-4728}, doi = {10.1002/asia.202401664}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Saju, Simi and Babu, Bindhya M. and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {49910, title = {Microbiome knowledge graph as a tool to understand bacteria-host associations}, journal = {Archives of Microbiology}, volume = {207}, year = {2025}, month = {AUG}, pages = {222}, type = {Article}, abstract = {

Gut bacteria are well known to significantly influence human health and physiology. Knowledge Graph (KG) can effectively integrate the heterogenous factors modulating gut bacteria-host associations. Limited studies describe the construction and application of KGs capturing these associations for domain experts. This work outlines a methodology for constructing microbiome-centric KG and demonstrates how it enhances conventional microbiome data analysis workflows. Towards construction and deployment of this domain centric KG, methodologies involved in collection of data, selecting relevant entities and relationships, and preprocessing them are discussed. Key relevant entities include bacteria, host genetic and immune factors, chemicals and diseases. The KG construction in both RDF (Resource Description Framework) and LPG (Labeled Property Graph) models are demonstrated. Comparison of the querying techniques in both these models and applications of the KG using biologically relevant case studies are also presented. Overall, the work is intended to provide domain experts with a complete protocol for construction of a microbiome-centric KG starting from entity selection and schema design to utilizing the KG for microbiome data analysis and hypothesis generation.

}, keywords = {Bacteria-host association, Bioinformatics, Knowledge graph, Knowledge graph question answering, Microbiome}, issn = {0302-8933}, doi = {10.1007/s00203-025-04413-0}, author = {Pudavar, Anand Eruvessi and Baksi, Krishanu Das and Pokhrel, Vatsala and Kuntal, Bhusan K.} } @article {50001, title = {Microgels of hydrophobically modified-ethyl hydroxy ethyl cellulose (HM-EHEC) with 5-flurouracil for drug delivery applications}, journal = {Research Journal of Biotechnology}, volume = {20}, year = {2025}, month = {AUG}, pages = {212-218}, type = {Article}, abstract = {

The polysaccharides (e.g. celluloses and proteins) which form the basic building blocks of life, are gaining increased interest in recent times for researchers to develop newer health care products from renewable bio-polymers which are cheaper and easily available with different desirable properties. Gels are highly swollen three dimensional networks of hydrophilic polymers cross-linked by physical or chemical interactions. Our focus was to design and develop a novel microgel system which would effectively deliver the anti-cancer drug to the targeted site by slow and sustained release for longer times. The water soluble hydrophobically modified ethyl hydroxy ethyl cellulose (HM-EHEC) biopolymer was used in the synthesis of microgels by Michael-type addition reaction between the primary hydroxyl groups of HM-EHEC and Divinyl sulphone (DVS) crosslinker using water-in-oil emulsion technique. The microgels obtained were spherical in shape having flower type morphology with average size of 5 to 8 μm. The anti-cancer drug 5-Flurouracil (5-FU) drug was successfully incorporated and around 56\% of the 5-FU was released in 72 hours with a loading efficiency of 95\%.

The cell viability (MTT assay) studies confirmed the cycto-toxicity on the MDA-MB 231 breast cancer cell line. There was an increase in the cell death with increase in the concentration of microgel containing drug concentration. The HM-EHEC microgels could be effectively used in the form of a topical cream in the skin and breast cancer for on-site slow and targeted delivery.

}, doi = {10.25303/2010rjbt2120218}, author = {Wali, Ashwini and Badiger, Manohar} } @article {49803, title = {Mobile RNAs and proteins: impacts on plant growth and productivity}, journal = {Journal of Experimental Botany}, volume = {76}, year = {2025}, month = {SEP}, pages = {3927-3942}, type = {Review}, abstract = {

Short- and long-distance mobile signals (mobile RNAs and proteins) are integral parts of the local and systemic communications that coordinate various physiological processes at the whole-plant level and have far-reaching impacts on plant productivity. In this review, we aim to provide a comprehensive description of the integral roles of these mobile signals in controlling phenotypic traits and plant productivity. We describe how key mobile RNAs (mRNAs, small RNAs, and long non-coding RNAs) and proteins (including RNA-binding proteins) function as vital regulators of multi-faceted aspects of phenotypic traits that ultimately govern plant productivity, such as the formation of the shoot apical meristem, leaf morphology, root architecture, flowering, ripening of fleshy fruits, tuberization, crop yield, and abiotic stress responses. We also describe recent advances in the study of macromolecular transport mechanisms, such as cyclophilin-mediated transport and extracellular vesicle-based signal delivery, as well as the identification of novel signature motifs on mobile RNAs. In addition, we consider the discovery of new mobile signals and highlight how these signals can potentially be explored with advanced biotechnological interventions, virus-induced flowering, genome-editing tools, and emerging breeding approaches (e.g. the xenia-based mobile RNA delivery system for fleshy fruits) with the aim of designing strategies for enhancing valuable phenotypic traits and improving plant productivity. Mobile RNAs and proteins act as key regulators of shoot apical meristem development, leaf morphology, root architecture, flowering, fleshy fruit ripening, tuberization, yield, and responses to abiotic stresses in plants.

}, keywords = {Long non-coding RNA, mobile protein, mobile RNA, plant productivity, RNA-binding protein, small RNA}, issn = {0022-0957}, doi = {10.1093/jxb/eraf185}, author = {Kondhare, Kirtikumar R. and Bhide, Amey J. and Banerjee, Anjan K.} } @article {50000, title = {Modification of some steps in the synthesis of Ivacaftor by mechano-chemical approach}, journal = {Sustainable Chemistry for Climate Action}, volume = {7}, year = {2025}, month = {DEC}, pages = {100097}, type = {Article}, abstract = {

Recently implementation of the mechano-chemistry approach for carrying out some of the steps in the synthesis of API{\textquoteright}s, is considered an attractive and environment friendly approach as it permits solvent-free reactions or the use of activators for the reaction, making the process efficient and economical. In this study, we focused on the modification of some steps in the drug Ivacaftor, which is one of the most expensive drugs in the market. For the first time, a mechano-chemical approach was employed to replace some steps in the synthesis of Ivacaftor. One of the fragment 5-amino-2,4-di-tert-butyl-phenol (5) required in the synthesis of Ivacaftor was prepared in two steps from commercially available 2, 4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl carbonate (6) by mechano-chemistry approach in good yields. In the last step, fragment 5-amino-2,4-di-tert-butyl-phenol (5) was coupled with 4-quinolone-3-carboxylic acid\ (4)\ using mechano-chemistry to obtain Ivacaftor (1) in good yields. The advantage of this methodology was it avoided the use of solvent in all three steps of ivacaftor synthesis, making the process efficient and economical.

}, doi = {https://doi.org/10.1016/j.scca.2025.100097}, author = {Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49441, title = {Molecular insights into the oleic acid accumulation in safflower}, journal = {Journal of the American Oil Chemists Society}, volume = {102}, year = {2025}, month = {FEB}, pages = {351-363}, type = {Article}, abstract = {

Most of the Indian safflower (Carthamus tinctorius L.) varieties produce oil rich in linoleic acid (LA, similar to 75\%) and low in oleic acid (OA, similar to 15\%). In the fatty acid biosynthetic pathway, the fatty acid desaturase 2 (FAD2) enzyme converts OA to LA. Safflower is reported to have 12-20 FAD2 genes. Gene expression analysis of four FAD2 genes during seed development in a high LA variety, PBNS-12, revealed high expression of FAD2-1 at 21 days after flowering (DAF), correlating with high LA accumulation. Fatty acid profiling of 448 Indian safflower germplasm accessions revealed four lines to have high (58\%-77\%) OA content, with NASF-39 having the highest OA content. Interestingly, all four high OA lines showed the same mutation in the FAD2-1 gene. The DNA sequence of FAD2-1 from the four high OA lines showed a deletion of C at the +606 position, resulting in a premature stop codon at the +733 position and a truncated protein of 244 amino acids. Hence, despite the high expression levels of FAD2-1 in NASF-39 at 18-21 DAF, it exhibited high OA (77\%). The dysfunctional nature of the truncated FAD2-1 in NASF-39 was evident in molecular docking studies with 1-stearoyl-2-oleoyl phosphatidylcholine. We also sequenced FATB, a thioesterase responsible for releasing stearic acid from acyl carrier protein for further desaturation to oleic acid, where an A773G substitution was observed. This resulted in E258G substitution in NASF-39 FATB compared to that of PBNS-12. This probably made the acyl-binding pocket of NASF-39 FATB unstable, contributing to high OA accumulation. Thus, the outcomes of this study can help develop super and ultra-high oleic safflower varieties through various genetics and genomics approaches.

}, keywords = {Carthamus tinctorius, FAD2, FATB, Fatty acid desaturase, fatty acid thioesterase, linoleic acid}, issn = {0003-021X}, doi = {10.1002/aocs.12892}, author = {Salunke, Gayatri and Badhe, Yogesh and Singh, Vrijendra and Ghorpade, Prakash and Hegde, Mahabaleshwar and Kadoo, Narendra} } @article {49583, title = {Monitoring influenza A (H1N1, H3N2), RSV, and SARS-CoV-2 using wastewater-based epidemiology: A 2-year longitudinal study in an Indian megacity covering omicron and post-omicron phases}, journal = {Food and Environmental Virology}, volume = {17}, year = {2025}, month = {MAR}, pages = {3}, type = {Article}, abstract = {

{The bourgeoning field of wastewater-based epidemiology (WBE) for the surveillance of several respiratory viruses which includes Influenza A, H1N1pdm09, H3N2, respiratory syncytial viruses (RSV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is of interest for public health concerns. However, there are few long-term monitoring studies globally. In this study, respiratory viruses were detected and quantified from 11 sewer sheds by utilizing reverse transcription-quantitative polymerase chain reaction analysis in Pune city, India, from Jan 2022 to Dec 2023. The RNA fragments of respiratory viruses were detected in sewage samples before clinical cases were reported, underscoring the potential of WBE for early detection and monitoring within the population. The Spearman correlation of wastewater viral copies was positively and significantly correlated with the clinically positive case of H1N1pdm09 (rho = 0.55

}, keywords = {Influenza A, Quantitative reverse transcription-PCR, Respiratory viruses, SARS-CoV-2, Wastewater-based epidemiology}, issn = {1867-0334}, doi = {10.1007/s12560-024-09618-y}, author = {Pramanik, Rinka and Nannaware, Kiran and Malik, Vinita and Shah, Priyanki and Sangewar, Poornima and Gogate, Niharika and Shashidhara, L. S. and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Dharne, Mahesh} } @article {49620, title = {Multifunctional luminogens with synergy of aggregation-induced delayed fluorescence, two-photon absorption and photocurrent generation}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {JAN}, pages = {1447-1450}, type = {Article}, abstract = {

In this study, we investigated the aggregation-induced delayed fluorescence (AIDF) properties of three luminogens - TN, TA, and TP. Our comprehensive theoretical analysis reveals a significant reduction in the Delta EST in their aggregated or solid-state, activating TADF, on a similar to mu s time-scale. Additionally, these luminogens demonstrate two-photon excited anti-Stokes photoluminescence emission and improved photocurrent generation, attributed to their strong charge transfer characteristics and longer singlet exciton lifetimes.

}, issn = {1359-7345}, doi = {10.1039/d4cc05113k}, author = {Chatterjee, Abhijit and Narayanan, Sundaravalli and Thorat, Sachin and Malik, Ajay J. and Ambhore, Madan D. and Narayanan, Aswini and Sihag, Anil Kumar and Babu, Sukumaran Santhosh and Lahiri, Mayurika and Hazra, Partha} } @article {49508, title = {MYB proteins: Versatile regulators of plant development, stress responses, and secondary metabolite biosynthetic pathways}, journal = {International Journal of Biological Macromolecules}, volume = {288}, year = {2025}, month = {FEB}, pages = {138588}, type = {Review}, abstract = {

MYB proteins are ubiquitous in nature, regulating key aspects of plant growth and development. Although MYB proteins are known for regulating genes involved in secondary metabolite biosynthesis, particularly phenylpropanoids, their roles in terpenoid, glucosinolate, and alkaloid biosynthesis remain less understood. This review explores the structural and functional differences between activator and repressor MYB proteins along with their roles in plant growth, development, stress responses, and secondary metabolite production. MYB proteins serve as central hubs in protein-protein interaction networks that regulate expression of numerous genes involved in the adaptation of plants to varying environmental conditions. Thus, we also highlight key interacting partners of MYB proteins and their roles in these adaptation mechanisms. We further discuss the mechanisms regulating MYB proteins, including autoregulation, epigenetics, and post-transcriptional and post-translational modifications. Overall, we propose MYB proteins as versatile regulators for improving plant traits, stress responses, and secondary metabolite production.

}, keywords = {Activator, defense, Development, MYB protein, Repressor, Secondary metabolites}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2024.138588}, author = {Bhatt, Preshita A. and Gurav, Tanuja P. and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {49966, title = {Mycobacteria-specific prodrug to overcome phenotypic AMR in mycobacterium tuberculosis}, journal = {Journal of Medicinal Chemistry}, volume = {68}, year = {2025}, month = {DEC}, pages = {24935-24952}, type = {Article}, abstract = {

Most front-line tuberculosis (TB) drugs are ineffective against hypoxic nonreplicating Mycobacterium tuberculosis (Mtb), largely due to poor permeability, leading to reduced drug accumulation and target engagement. To overcome this phenotypic antimicrobial resistance (AMR), we developed nitroheteroaryl prodrugs for Moxifloxacin (MXF), a front-line TB drug. These prodrugs are activated by bacterial nitroreductases (NTR), which are overexpressed in hypoxic Mtb. NTR-mediated electron transfer and protonation facilitate rapid cleavage of the protective group, releasing active MXF. The lead prodrug exhibited comparable efficacy to MXF in replicating Mtb and significantly enhanced lethality in nonreplicating Mtb. Drug accumulation studies confirmed a modest but significant increase in MXF levels in nonreplicating Mtb treated with the prodrug, suggesting improved permeability. A mathematical model integrating growth and drug-killing kinetics further elucidated how permeability differences impact lethality. Together, these findings highlight enzyme-activated prodrugs as a promising strategy to address phenotypic AMR in Mtb

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.5c01848}, author = {Kumar, T. Anand and Birua, Shalini and Mallojjala, Sharath Chandra and Mukherjee, Piyali and Singh, Samsher and Kaul, Grace and Ramachandran, Aparna and Akhir, Abdul and Chopra, Sidharth and Gadgil, Chetan J. and Hirschi, Jennifer S. and Singh, Amit and Chakrapani, Harinath} } @article {49428, title = {Nano-springe enriched hierarchical porous MOP/COF hybrid aerogel: efficient recovery of gold from electronic waste}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

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

}, keywords = {Aerogel, COF, E-waste, Gold, MOP}, issn = {1433-7851}, doi = {10.1002/anie.202419830}, author = {Majumder, Dipanjan and Fajal, Sahel and Shirolkar, Mandar M. and Torris, Arun and Banyla, Yashasvi and Biswas, Kishalay and Rasaily, Sagarmani and Ghosh, Sujit K.} } @article {49533, title = {Organophotoredox-catalyzed decarboxylative C-O/N/S bond formation: access to ampakine APIs and quinazolinone alkaloids}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {APR}, pages = {3871-3876}, type = {Article}, abstract = {

This study describes a novel and general protocol featuring organophotoredox-catalyzed intramolecular decarboxylative construction of carbon-heteroatom (oxygen, nitrogen, and sulfur) bonds, enabling direct access to ampakine APIs (CX-614 and CX-554), quinazolinone alkaloids (deoxyvasicinone and mackinazolinone), and thiazinone scaffolds as well as their congeners with broad functional group tolerance and scalability. Mechanistic studies suggest a radical-polar crossover pathway via single-electron oxidation.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00565}, author = {Sonavane, Sameer R. and Kale, Tushar B. and Bhatt, Gaurang J. and Mhaske, Santosh B.} } @article {49459, title = {Oxidase-like nanozyme activity of ultrathin copper metal{\textendash}organic framework nanosheets with high specificity for catechol oxidation}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JAN}, type = {Article}, abstract = {

In nature, catechol oxidase catalyzes the oxidation of\ o-diphenol to\ o-quinone to produce a series of highly important polyphenolic natural products. Although mimicking the functionality of natural enzyme using a nanozyme was found to be beneficial, attaining a high specificity is challenging. Herein, we have explored the thickness-dependent oxidase activity and specificity of Cu-metal-organic framework (MOF) nanosheets. The unique synthetic method offers control over the thickness of the Cu-MOF nanosheets. The ultrathin (4\ nm) Cu-MOF (Cu-UMOF) nanosheets as an oxidase nanozyme exhibit high specificity for catechol oxidation without having any peroxidase activity. Interestingly, the thicker (20{\textendash}30\ nm) Cu-MOF nanosheets showed poor catechol oxidase and peroxidase activity. The binuclear Cu-center, coordinative, and electronic unsaturation tuned electronic structure in Cu-UMOF, resulting in higher specificity for catechol oxidation than thicker Cu-MOF.

}, doi = {https://doi.org/10.1002/cctc.202401029}, author = {Singh, Ajit Kumar and Sharma, Deepika and Singh, Devesh Kumar and Sarraf, Sonu and Basu, Aviru Kumar and Ganesan, Vellaichamy and Saha, Avishek} } @article {49834, title = {Palladium(II)-catalyzed desymmetrization of 2-alkynylbenzoate-tethered cyclohexadienones for the synthesis of polycyclic compounds}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAY}, pages = {5429-5434}, type = {Article}, abstract = {

Pd-catalyzed cascade cyclization of 2-alkynylbenzoate-tethered cyclohexadienone was developed for the single step synthesis of isocoumarin-fused dihydrochromenones. This highly atom economical method proceeds via 6-endo-dig cyclization of tert-butyl benzoate with a tethered alkyne. By modulating the reaction solvent and metal catalyst, the methodology was diverted for the purposeful synthesis of either of the E/Z tetra-substituted alkenes.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c01396}, author = {Rai, Archana and Bajpai, Priyam and Gamidi, Rama Krishna and Vanka, Kumar and Das, Utpal} } @article {49731, title = {Peganutonin A: computationally informed synthesis of its revised structure}, journal = {Journal of Natural Products}, volume = {88}, year = {2025}, month = {APR}, pages = {1253-1258}, type = {Article}, abstract = {

The structure of the recently isolated natural product peganutonin A was shown to be incorrect by analysis of the reported spectroscopic data, and therefore, the structure was reassigned utilizing computational methods. Subsequently, the computationally proposed reassignment was confirmed by total synthesis, which was achieved in seven steps from 6-methoxyindole. It is assumed that peganutonin A is not a natural product but an artifact arising from photooxidation of the alkaloid harmaline.

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.5c00322}, author = {Saranya, N. Sathya Sai and Choudhury, Rahul and Supekar, Prathmesh R. and Beduru, Srinivas and Williams, Craig M. and Elyashberg, Mikhail E. and Kutateladze, Andrei G. and Bates, Roderick W. and Reddy, D. Srinivasa} } @article {49690, title = {Peptide functionalization with dithioate and trithioate groups: A CS2-mediated solid-phase approach}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAY }, pages = {6271-6278}, type = {Article}, abstract = {

The dithiocarbamate group is an important class of compounds whose presence in small molecules and peptides leads to antimicrobial, anticancer, and enzyme inhibition properties. This study introduces an efficient and selective method for incorporating dithioate and trithioate moieties into amino acids and peptides using CS2 chemistry under mild conditions. Utilizing a N,N-diisopropylethylamine (DIPEA)-CS2-benzyl chloride system, we achieved modifications at the N-terminal amines and the side chains of Lys and Cys residues through solid-phase peptide synthesis (spps). The method exhibits excellent yields and broad compatibility with diverse amino acids, their protection groups, peptide chemistry reagents, and varied peptide sequences. Notably, the successful incorporation of trithioate groups into peptides via cysteines, reported here for the first time, expands the functional repertoire of peptide chemistry, offering new possibilities for peptide-based drug design and related applications.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c01282}, author = {Shinde, Dinesh R. and Bodake, Supriya Mahadev and Marelli, Udaya Kiran} } @article {49686, title = {Peptide-triazolobenzodiazepine hybrids: a catalyst-free on-resin strategy to build complex therapeutic motifs into peptides}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {JUN}, type = {Article}, abstract = {

The merger of peptide and heterocyclic chemistry presents significant opportunities for enhancing the structural and functional diversity of therapeutic agents. In this study, we introduce a streamlined on-resin method to modify peptides at the N-terminus amines and the side chain amines of Lys/Orn amino acids by incorporating the biologically active triazolobenzodiazepine scaffold. In the presented solid-phase peptide synthesis (SPPS), the triazolobenzodiazepine core is formed on-resin through a combination of N-alkylation, amide bond formation, and an alkyne-azide 1,3-dipolar cycloaddition, of which the latter two happen as a single-step one-pot reaction- proceeding under mild conditions without metal catalysts. This protocol tolerates a wide variety of amino acids and functional groups, providing a versatile method for synthesizing peptide-triazolobenzodiazepine hybrids. Using orthogonal protection group strategies, we further demonstrate the method{\textquoteright}s adaptability for two site modifications in peptides involving both the N-terminus and Lys side chain amines. These modifications enhance the scope of {\textquoteleft}{\textquoteleft}peptide medicinal chemistry{\textquoteright}{\textquoteright} by creating multifunctional peptides with potential therapeutic applications. The method{\textquoteright}s compatibility with SPPS, room temperature conditions, and elimination of metal catalysis make it an efficient and powerful tool for peptide modification.

}, keywords = {hybrid peptides, peptide chemistry, peptide modification, spps compatibility, triazolobenzodiazepines}, issn = {0947-6539}, doi = {10.1002/chem.202500836}, author = {Kamble, Sandip Sushila Mohan and Bodake, Supriya Mahadev and Marelli, Udaya Kiran} } @article {49572, title = {Phytochemical investigation of Cannabis sativa: Isolation and structure determination of spiroindans}, journal = {Journal of Molecular Structure}, volume = {1332}, year = {2025}, month = {JUN}, pages = {141653}, type = {Article}, abstract = {

Four undescribed, beta-, alpha-chevicospiranol (1, 2), 4-prenylspirenone B (3), and, 6-prenylspirenone B (4), along with ten known spiroindans were discovered in Cannabis sativa. The structures were determined through 1D, 2D NMR, HRMS, and quantum mechanical calculations. Compounds 1 and 2 have an unprecedented fused system of 3hydroxychavicol with beta- and alpha-cannabispiranol core, respectively, while 3 and 4 are prenylated spiroindan congeners. Detailed NMR data assignments of isomeric pairs 2a - 2b, 3a - 3b, and 4a - 4b, corrected the misidentification of the previously reported spiroindane, prenylspirodinone (5). Besides, the crystal structures of 2a, 3a, and 5a were determined by SC-XRD experiments.

}, keywords = {Cannabaceae, Cannabis sativa L., Crystal structure analysis of spiro-indans, Indian cannabis variety, NMR data of spiro-indans, Spiro-indans}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.141653}, author = {Nalli, Yedukondalu and Komal and Boccia, Eleonora and Lauro, Gianluigi and Bifulco, Giuseppe and Krishna, Gamidi Rama} } @article {49709, title = {Portal substituent modulations in chiral imido-Pd(II) cages for the enhanced separation of styrene oxide enantiomers}, journal = {Inorganic Chemistry}, volume = {64}, year = {2025}, month = {MAY}, pages = {10313-10319}, type = {Article}, abstract = {

Sensing and separation of enantiomers are crucial for the synthesis of biologically relevant compounds as well as for applications in catalysis and pharmaceutical development. Chiral coordination cages have gained significant attention as effective platforms for enantioselective processes through their well-defined, tunable cavities that facilitate host-guest interactions. In this study, we systematically explored the enantioselective binding and separation properties of two tetrahedral Pd(II) cages, 1-R and 2-R, with the molecular formula [Pd3(PO[N(RCH(CH3)Ph)3])4(C6O4X2)6] (X = Cl for 1-R, and X = F for 2-R). Their enantioselective abilities were investigated for small chiral molecules with diverse functional groups. Notably, the 2-R cage demonstrated a high enantioselectivity value of 88 for R-styrene oxide. Chiral separation experiments further revealed impressive enantiomeric excess (ee) values of 98\% for R-styrene oxide from their racemic mixtures upon desorption from 2-R. The enhanced selectivity and separation efficiency were attributed to an optimal guest-to-cavity fit and the presence of multiple interaction sites within the host framework. Remarkably, portal substituent modulation in 2-R led to a 16-fold enhancement in enantioselective separation efficiency compared to 1-R, primarily due to improved portal dimensions, tighter molecular packing, and increased hydrogen bonding interactions. These findings highlight the potential of neutral chiral coordination cages for various enantioselective applications.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5c01469}, author = {Jose, Cavya and Sarkar, Abhradeep and Khopade, Kishor V. and Boomishankar, Ramamoorthy} } @article {49971, title = {Precision integrated identification of predictive first-trimester metabolomics signatures for early detection of gestational diabetes mellitus}, journal = {Cardiovascular Diabetology}, volume = {24}, year = {2025}, month = {NOV }, pages = {434}, type = {Article}, abstract = {

Background and aimGestational diabetes mellitus (GDM), a common pregnancy-related metabolic disorder, often goes undiagnosed until the second trimester, limiting early intervention opportunities. Given the higher prevalence of GDM in India, there is a critical need to investigate metabolomic biomarkers among Asian Indians, who exhibit greater insulin resistance and are predisposed to developing type 2 diabetes at an earlier age. This study aimed to identify early pregnancy metabolomic signatures predictive of GDM. MethodsAmong 2115 pregnant women from the STratification of Risk of Diabetes in Early pregnancy (STRiDE) study, we performed untargeted metabolomic profiling using UPLC-MS/MS at early pregnancy (\< 16 weeks) plasma samples from 100 women-comprising 50 with GDM and 50 normal (without GDM) based on oral glucose tolerance test (OGTT) at 24-28 weeks. Statistical and machine learning approaches, including logistic regression and random forest (RF), were applied to identify GDM-associated metabolites and construct predictive models. Pathway enrichment analysis was conducted using KEGG database annotations. ResultsA total of 49 metabolites were significantly associated with GDM, primarily involving lipid classes such as phosphatidylcholines, sphingomyelins, and triacylglycerols. RF analysis identified a panel of eight metabolites that achieved best predictive performance (AUC 0.880; 95\% CI: 0.809-0.951) for GDM. When combined with conventional clinical risk factors, the integrated model showed comparable prediction of GDM with AUC 0.88;: 95\% CI: 0.810-0.952). Enrichment analysis highlighted dysregulated pathways including glycerophospholipid and sphingolipid metabolism, autophagy, and insulin resistance. ConclusionThis study demonstrates the utility of early-pregnancy metabolomic profiling for predicting GDM in Indian women. The eight-metabolite panel offers a promising tool for early risk stratification of GDM, warranting validation in diverse populations.

}, keywords = {First trimester, Gestational diabetes mellitus, Indian women, Mass spectrometry, Metabolomics, Prediction}, doi = {10.1186/s12933-025-02978-0}, author = {Sharma, Sapna and Subrahmanyam, Yalamanchili Venkata and Gupta, Payal and Vadivel, Sangeetha and Deepa, Mohan and Tandon, Ansh and Sreedevi, Sreekumar and Ram, Uma and Narad, Priyanka and Parmar, Dharmeshkumar and Anjana, Ranjit Mohan and Raghunathan, Anu and Balasubramanyam, Muthuswamy and Mohan, Viswanathan and Sengupta, Abhishek and Adamski, Jerzy and Saravanan, Ponnusamy and Panchagnula, Venkateswarlu and Usharani, Dandamudi and Gokulakrishnan, Kuppan} } @article {49847, title = {Probing solvent fluctuations in deep eutectic solvents: Influence of probe charge and nano-domain localization}, journal = {Journal of Chemical Physics}, volume = {163}, year = {2025}, month = {JUL}, pages = {044506}, type = {Article}, abstract = {

Deep eutectic solvents (DESs) segregate into hydrogen bond acceptor or hydrogen bond donor (HBD) rich nano-domains, leading to molecular heterogeneity. Understanding how this heterogeneity affects the DES structure and dynamics is essential. In this study, we used two-dimensional nuclear magnetic resonance (2D NMR) and two dimensional infrared (2D IR) spectroscopies, combined with molecular dynamics (MD) simulations, to investigate solvation structure and dynamics in two choline chloride-based DESs with different HBDs-levulinic acid and glycolic acid. We introduced two thiocyanate vibrational probes, methyl thiocyanate (CH3SCN, neutral) and ammonium thiocyanate (NH4SCN, anionic), which selectively localize in specific nano-domains. 2D NMR provided insights into solvent structure and probe location, while 2D IR captured solvation dynamics. Our results show that these small probes do not alter the solvent structure, regardless of charge. However, solvation dynamics depend on long-range electrostatic ordering in the DES and the local shielding effects of the nano-domain where the probe resides. MD simulations complement experimental findings, providing a molecular-level understanding of solvation in DESs.

}, issn = {0021-9606}, doi = {10.1063/5.0269436}, author = {Chowdhury, Tubai and Pathania, Akhil and Ravindranathan, Sapna and Bagchi, Sayan} } @article {49878, title = {Rational design of reduced graphene oxide/TiO2/gold nanorod nanocomposite for complete degradation of polystyrene microplastics in wastewater}, journal = {Advanced Sustainable Systems}, volume = {9}, year = {2025}, month = {AUG}, type = {Article}, abstract = {

Our planet is being devoured by plastic consumption every day. Water, soil, and air are deliberately polluted by the ingredients of these nondegradable plastics. Extensive usage of plastic has serious consequences in the environment, wildlife, and human health. A comprehensive approach to eradicate plastics from the planet is therefore imperative. Herein, a ternary nanocomposite subsumed of reduced graphene oxide (rGO), titanium dioxide (TiO2), and gold nanorods (AuNRs) is synthesized and effectively deployed to remove plastics from water as well as degradation of polymer film by both chemically and photocatalytically. The hydrothermally prepared nanocomposite completely removes polystyrene molecules from water, and 1.2 mg of plastic degradation is observed during the photolysis. Conversely, chemical degradation pathway induces the weight loss of 10.7 mg. Both Plasmon-induced interfacial charge transfer transition (PICTT) and Plasmon-induced hot electron transfer (PHET) assist the formation of reactive oxygen species (ROS) that collectively degrades the polymer strands. The spectrochemical and microscopic studies validate the degradation studies with cautious conclusions.

}, keywords = {chemical degradation, Photocatalysis, plasmonic hot electron, polystyrene microplastics, Reduced graphene oxide}, issn = {2366-7486}, doi = {10.1002/adsu.202500096}, author = {UshaVipinachandran, Varsha and Naveenkumar, K. and Haroon, Kabir Hussain Badagoppam and Ashokan, Indhumathi and Sinha, Arup and Maity, Pradip and Bhunia, Susanta Kumar} } @article {49593, title = {Recommendations for sample selection, collection and preparation for NMR-based metabolomics studies of blood}, journal = {Metabolomics}, volume = {21}, year = {2025}, month = {MAY}, pages = {66}, type = {Review}, abstract = {

BackgroundMetabolic profiling of blood metabolites, particularly in plasma and serum, is vital for studying human diseases, human conditions, drug interventions and toxicology. The clinical significance of blood arises from its close ties to all human cells and facile accessibility. However, patient-specific variables such as age, sex, diet, lifestyle and health status, along with pre-analytical conditions (sample handling, storage, etc.), can significantly affect metabolomic measurements in whole blood, plasma, or serum studies. These factors, referred to as confounders, must be mitigated to reveal genuine metabolic changes due to illness or intervention onset.Review objectiveThis review aims to aid metabolomics researchers in collecting reliable, standardized datasets for NMR-based blood (whole/serum/plasma) metabolomics. The goal is to reduce the impact of confounding factors and enhance inter-laboratory comparability, enabling more meaningful outcomes in metabolomics studies.Key conceptsThis review outlines the main factors affecting blood metabolite levels and offers practical suggestions for what to measure and expect, how to mitigate confounding factors, how to properly prepare, handle and store blood, plasma and serum biosamples and how to report data in targeted NMR-based metabolomics studies of blood, plasma and serum.

}, keywords = {Blood, Metabolites, Metabolomics, NMR, Plasma, Serum, Standardization}, issn = {1573-3882}, doi = {10.1007/s11306-025-02259-7}, author = {Emwas, Abdul-Hamid and Zacharias, Helena U. and Alborghetti, Marcos Rodrigo and Gowda, G. A. Nagana and Raftery, Daniel and Mckay, Ryan T. and Chang, Chung-ke and Saccenti, Edoardo and Gronwald, Wolfram and Schuchardt, Sven and Leiminger, Roland and Merzaban, Jasmeen and Madhoun, Nour Y. and Iqbal, Mazhar and Alsiary, Rawiah A. and Shivapurkar, Rupali and Pain, Arnab and Shanmugam, Dhanasekaran and Ryan, Danielle and Roy, Raja and Schirra, Horst Joachim and Morris, Vanessa and Zeri, Ana Carolina and Alahmari, Fatimah and Kaddurah-Daouk, Rima and Salek, Reza M. and LeVatte, Marcia and Berjanskii, Mark and Lee, Brian and Wishart, David S.} } @article {49921, title = {Regio selective synthesis of pyrazole derivatives of 5-chloro-2-methoxy phenyl hydrazide and their biological evaluation}, journal = {Journal of Heterocyclic Chemistry}, volume = {62}, year = {2025}, month = {APR}, pages = {325-329}, type = {Article}, abstract = {

Present study involves synthesis of derivatives of (5-chloro-2-methoxyphenyl) (5-alkyl-3-(substituted) (phenyl/alkyl)-1H-pyrazol-1-yl) methanones. Structural elucidation of the synthesized compounds was depicted by the data of 1H and 13C NMR, IR, and Mass spectral analysis. The newly synthesized compounds 1a-1d and 2a-2i were screened in vitro against Mycobacterium tuberculosis H37Ra using an established XRMA protocol. Among the screened compounds, 2d, 2f, and 2h showed good percent inhibition against the active stage of M. tuberculosis H37Ra 80.77, 55.70, and 79.54, respectively, at 30 mu g/mL of inhibitor concentration. Further in secondary screening, compound 2d exhibited significant antitubercular activity on the active stage of M. tuberculosis H37Ra with IC50 of 0.208 mu g/mL. The synthesized compounds were also screened for antibacterial activity and found no significant activity against Gram-positive Bacteria Bacillus subtitles and Staphylococcus aureus and Gram negative bacteria Pseudomonas aeruginosa and Escherichia coli at 30 mu g/mL, which confirms the specificity of inhibitory activity against M. tuberculosis and more selectively against the active stage. The present study will be helpful for the further development of these molecules into antitubercular lead candidates.

}, keywords = {5-chloro-2-methoxy phenyl hydrazide, antibacterial activity, Antitubercular activity, Biological evaluation, H37Ra, hydrazide, Pyrazole}, issn = {0022-152X}, doi = {10.1002/jhet.4941}, author = {Bavishi, Abhay and Vala, Hardev and Swami, Sagar and Thakrar, Shailesh and Shah, Anamik and Sarkar, Dhiman} } @article {49568, title = {Regioisomeric π-extended nanographene with long-lived phosphorescence afterglow}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB}, pages = {e202422125}, type = {Article}, abstract = {

The cutouts of graphene sheets, particularly those with a nonplanar topology, present vast opportunities for advancement. Even a slight deviation from the planar structure can lead to intriguing (chiro)optical features for helically twisted nanographenes. In this context, we introduce two regioisomeric pi-extended nanographenes that exhibit distinct excited-state characteristics. The helicene structure and the photophysical features can be easily tuned by changing the connecting position of the nanographene to the carbazole core (2,7- and 3,6-). Single-crystal X-ray diffraction analysis confirmed the formation of nanographenes with bent and helical conformations. Both derivatives exhibited thermally activated delayed fluorescence at room temperature and phosphorescence at low temperatures. Notably, the nanographene with the bent structure displayed an impressive red afterglow lasting over 30seconds, in contrast to the very weak afterglow observed in the helical structure. DFT calculations revealed the existence of an isoenergetic higher triplet state (T-8) and comparatively weak spin-orbit coupling (T-1-S-0), thereby enabling the bent nanographene to exhibit a long-lived component and strong afterglow. Our findings highlight the significance of regioisomeric nanographenes with exceptional optical properties and offer a deeper understanding of the structure-property relationship in nonplanar nanographenes.

}, keywords = {Afterglow, CPL, Helicenes, nanographene, Phosphorescence, TADF}, doi = {10.1002/anie.202422125}, author = {Kumar, Viksit and Venugopal, Geethu and Jadhav, Ashok Badrinarayan and Dongre, Sangram D. and Gonnade, Rajesh and Kumar, Jatish and Ruer, Paul C. and Hupp, Benjamin and Steffen, Andreas and Babu, Sukumaran Santhosh} } @article {49919, title = {Revealing the functional importance of tyrosine and tryptophan of human hemoglobin for development of structural templates representing protein microenvironment}, journal = {Computational and Theoretical Chemistry}, volume = {1254}, year = {2025}, month = {DEC}, pages = {115483}, type = {Article}, abstract = {

Microenvironment surrounding Tyrosine (Tyr) / Tryptophan (Trp) and heme appear to characterize the UV-vis absorption spectra of human hemoglobin (HHb). Structural elucidation of HHb using multiple tools, that may contribute to its spectral properties, then indicate greater structural stability of subunit A and the significance of its heme, Tyr42 and Trp14. Mutagenesis of Tyr42 and Trp14 of subunit A to Glycine (Gly) further validate their contribution in determining the structural stability, physicochemical properties, functional properties, and secondary structure of HHb. Accordingly, the use of structural coordinates of Tyr42 and heme as the first cluster and Trp14, Tyr42 and heme as the second cluster to represent the microenvironment of HHb is assessed for the first time. The calculated (DFT) absorption and FTIR properties of both the clusters are in well agreement with experimental absorption and FTIR characteristics of whole HHb suggesting prospective biomedical applications of these clusters.

}, keywords = {Heme, Human hemoglobin, Nano-peptide cluster, Representative template, Trp14, Tyr42}, issn = {2210-271X}, doi = {10.1016/j.comptc.2025.115483}, author = {Chakraborty, Madhurima and Sen Banerjee, Nineesha and Ghosh, Deborin and Bhattacharya, Prabuddha and Ganguly, Tapan} } @article {49972, title = {Review on recent progress in synthesis, properties, and applications of MXenes}, journal = {Oxford Open Materials Science}, volume = {5}, year = {2025}, month = {DEC}, type = {Article}, abstract = {

Abstract

MXenes, a noble class of two-dimensional (2D) material, discovered in 2011 have gained attention in recent years. They have attracted significant attention due to their flexible elemental composition, distinctive 2D-layered architecture, large surface area, and abundant surface terminations. Top-down synthesis techniques such as HF etching, alkaline etching, and electrochemical methods are used for MXene synthesis. Alongside these methods, methods like chemical vapor deposition (CVD), template method and plasma enhanced pulsed layer deposition (PELPD) are also used for the thin-film synthesis of MXenes. The discovery of double transition-metal layered MXene, solid, and high entropy MXene open up the prospect of further novel structures. MXenes are electrically conductive and have promising optoelectronic, mechanical, and thermoelectric properties. MXenes have also shown immense potential in biomedicine and environmental applications. The surface chemistry of MXene make them ideal for biosensors, drug delivery, and photothermal therapy, while their photocatalytic and adsorption properties enable efficient removal of pollutants and contaminants from water. This review examines the various MAX phase synthesis methods, such as solid-state reactions, hot isostatic pressing, and spark plasma sintering, followed by top-down techniques like HF etching, alkaline etching, and electrochemical etching, as well as bottom-up methods like CVD, template approaches, and plasma-enhanced pulsed layer deposition. The review also looks into the optical, chemical, and electronic properties of MXene, as well as their advancements in energy storage, optoelectronics, pollution avoidance, biomedical applications, and more.

}, doi = {https://doi.org/10.1093/oxfmat/itae017}, author = {Borah, Ashish Jyoti and Natu, Varun and Biswas, Abhijit and Srivastava, Anchal} } @article {49522, title = {Ruthenium-catalyzed deconstruction of polyolefins: a strategy to up-cycle waste polyethylene to value-added alkene}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {APR}, type = {Article}, abstract = {

Synthesis of value-added products from post-consumer waste polyolefins is fascinating as well as challenging. Here we report ruthenium-catalyzed up-cycling of the polyethylene to long-chain alkene derivatives. The developed methodology mainly involves two steps i.e., dehydrogenation of polyethylene through hydrogen atom transfer and its metathesis using the HG-II catalyst. The dehydrogenation of polyethylene using ruthenium catalysis derived up to 3.38 \%, of double bonds; with 90 \% of the recovered polyolefin material. The obtained unsaturated polyethylene was subjected to cross-metathesis with ethylene using HG-II catalytic system. This resulted in the synthesis of predominantly dodecene (C12) derivatives, with 58 \% selectivity, along with other derivatives of varying chain lengths. The overall reaction produced terminal and internal olefins in the ratio 1:0.8 respectively. The dehydrogenation of polyethylene and its deconstruction was confirmed by NMR spectroscopy, Gel Permeation Chromatography (GPC) and Differential Scanning Calorimetry (DSC). The origin of C12 selectivity has been demonstrated by control experiments. The scope of the methodology was extended to post-consumer waste polyethylene which gave high conversion to value-added dodecene derivatives as a major product.

}, keywords = {Deconstruction, Homogeneous catalysis, ruthenium, Upcycling, Waste plastic}, doi = {10.1002/anie.202422609}, author = {Padhi, Ganeshdev and Khopade, Kishor V. and Moyilla, Nageswararao and Rangappa, Raghavendrakumar and Chikkali, Samir H. and Barsu, Nagaraju} } @article {49798, title = {Selective hydrogenation of furfural to furfuryl alcohol over Pd supported on ternary oxide in aqueous medium under mild conditions}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {AUG}, type = {Article}, abstract = {

We report palladium (Pd) supported on a mixed CuO/ZnO/Al2O3 catalyst for the synthesis of furfuryl alcohol (FA) from furfural (FF) using hydrogen under near atmospheric pressure (balloon pressure) conditions. A systematic study of various metal oxide combinations revealed that the best support for Pd nanoparticles is a CuO/ZnO/Al2O3 mixed system, which results in excellent catalytic performance. A series of control experiments highlighted the essential role of mixed Cu-Zn-Al oxide support in facilitating the adsorption and activation of FF. Our results demonstrate that under optimal conditions (40 degrees C, balloon pressure H2), the catalyst yields FF conversion exceeding 98\%, with remarkable selectivity for FA reaching up to 99\% with water as solvent. The catalyst exhibited almost comparable activity up to three catalytic cycles without extra catalyst treatment or reactivation with negligible Pd leaching. These findings shed insight into the design of mixed metal oxide-based support for active metal interactions in optimizing catalytic performance in furfural hydrogenation under mild conditions.

}, keywords = {Biomass conversion, Furfural hydrogenation, Furfuryl alcohol, mixed metal oxides, Pd catalyst}, issn = {1867-3880}, doi = {10.1002/cctc.202402092}, author = {Nehra, Pooja and Betsy, K. J. and Vinod, C. P.} } @article {49531, title = {Self-supported super-hydrophilic interconnected nanospikes and particles of MoS2-Ni3S2/NF with optimum d-band center for anion exchange membrane water electrolyzer}, journal = {Advanced Sustainable Systems}, volume = {9}, year = {2025}, month = {MAR}, type = {Article}, abstract = {

There is an imperative need for highly efficient electrocatalysts for cost-effective hydrogen production. Herein, a self-supported, hybrid composite as a bifunctional electrocatalyst is introduced. This is achieved by in situ growth of MoS2-Ni3S2 on nickel foam (NF), designated as MoS2-Ni3S2/NF, synthesized by a facile one-step hydrothermal synthesis method. MoS2-Ni3S2/NF exhibits low overpotentials of only 187 and 146 mV for OER and HER, respectively, to achieve a current density of 10 mA cm-2 in 1 M KOH. The practical application of the designed bifunctional electrocatalyst is verified by constructing the MoS2-Ni3S2/NF || MoS2-Ni3S2/NF symmetrical membrane electrode assembly (MEA) of 4 cm2 working area for the anion exchange membrane water electrolyzer. The system shows continuous electrolysis for the monitored 48 h duration. For OER, an optimum d-band center of -1.66 eV for the heterostructure is calculated from the Density Functional Theory (DFT) studies. The factors like the unique structure of the electrocatalyst, enhanced hydrophilicity, improved electrochemically accessible number of sites (ECASs), and optimum d-band center, are expected to be the primary contributors to the system{\textquoteright}s improved performance. Thus, the present finding unveils a straightforward synthesis approach for creating a stable electrocatalyst for advancing commercial water electrolysis in the realm of renewable electrochemical energy conversion.

}, keywords = {AEM, d-band center, electrolyzer, HER, OER}, issn = {2366-7486}, doi = {10.1002/adsu.202400957}, author = {Kumar, Yogesh and Barik, Sidharth and Samudre, Nikhil S. and Kharabe, Geeta Pandurang and Chauhan, Inderjeet and Manna, Narugopal and Bhat, Suresh and Kurungot, Sreekumar} } @article {49567, title = {Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition}, journal = {CrystEngComm}, volume = {27}, year = {2025}, month = {FEB}, pages = {1240-1247}, type = {Article}, abstract = {

Enrichment of enantiomers during crystallization of racemic thiourea derivatives was investigated. The spontaneous resolution of a chiral thiourea derivative via preferential crystallization is attributed to thermodynamic stability when molecules of identical chirality bind with each other in the crystal lattice. Single crystal X-ray analysis reveals the interactions responsible for self-recognition of molecules of the same chirality in the unit cell. The tendency of the thiourea derivative to form a conglomerate is supported by IR spectroscopy, thermal analysis and computational studies.

}, doi = {10.1039/d4ce01226g}, author = {Dwivedi, Astha M. and Gonnade, Rajesh G. and Sahoo, Suban K. and Bedekar, Ashutosh V.} } @article {49536, title = {Sequential nitro-michael addition and reductive cyclization cascade reaction for diastereoselective synthesis of multifunctionalized 3,3'-pyrrolidinyl-spirooxindoles}, journal = {European Journal of Organic Chemistry}, volume = {28}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

In this investigation, we elucidated, one-pot two stage efficient synthesis of multifuctionalized spiro[oxindole -3,3 {\textquoteleft}-pyrrolidine]. The methodology proceeds via organocatalyzed nitro-Michael addition reaction between indolylidenecyanoesters and nitroalkanes to formed nitro-Michael adduct which transformed into multifunctionalized 3,3 {\textquoteleft}-pyrrolidinyl-spirooxindoles by metal catalyzed reductive cyclization cascade. DFT investigations were conducted to elucidate the mechanism underlying the preferential reduction of the nitro group, with subsequent attack on the nitrile and ester groups remain inert throughout the reaction process. The approach is operationally simple, easily scalable, exhibits compatibility with readily accessible starting material and catalysts, thereby emphasizing cost-effectiveness.

}, keywords = {3 {\textquoteleft}-pyrrolidinyl spirooxindoles, DFT study for regioselective cyclization, Diastereoselective 3, organocatalysis, Pd/C catalysed partial reductive spirocyclization}, issn = {1434-193X}, doi = {10.1002/ejoc.202401121}, author = {Nichinde, Chandrakant B. and Bhati, Meema and Girase, Amardipsing S. and Patil, Baliram R. and Chaudhari, Suryakant S. and Gamidi, Rama Krishna and Joshi, Kavita and Kinage, Anil K.} } @article {49715, title = {Sila[1]ferrocenophanes with Bulky Substituents}, journal = {European Journal of Inorganic Chemistry}, volume = {28}, year = {2025}, month = {MAY }, type = {Article}, abstract = {

In this study, sila[1]ferrocenophanes with sterically bulky groups such as tris(trimethylsilyl) or N-heterocyclic iminato located at the bridging silicon atom are synthesized. The reactions of silicon-bound chloride in Fe(eta 5-C5H4)2SiCl2 (1) with K[Si(SiMe3)3] and silylated N-heterocyclic imine result in sila[1]ferrocenophanes 2 and 3 with bulky silicon- and nitrogen-based substituents at the ansa-bridge via elimination of KCl and Me3SiCl. Subsequently, the reduction of 1 is attempted using 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-dihydropyrazine (popularly known as Mashima reagent), which leads to the elimination of Me3SiCl and generation of 1,4-dihydropyrazine-spanned sila[1]ferrocenophanes (4). All the compounds are structurally characterized.

}, keywords = {ansa-bridges, ferrocenophanes, hypersilyls, Mashima reagents, N-heterocyclic imines}, issn = {1434-1948}, doi = {10.1002/ejic.202500120}, author = {Ajithkumar, V. S. and Bisai, Milan Kumar and Yuvaraj, K. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49727, title = {Silicon incorporated tacrine: design, synthesis, and evaluation of biological and pharmacokinetic parameters}, journal = {RSC Medicinal Chemistry}, volume = {16}, year = {2025}, month = {JUN}, pages = {2603-2614}, type = {Article}, abstract = {

Tacrine, an orally bioavailable cholinesterase inhibitor, was previously used to treat Alzheimer{\textquoteright}s disease but was withdrawn due to hepatotoxicity. The unique structural features of tacrine have once again captured the interest of medicinal chemists. However, the blood-brain barrier (BBB) permeability hampered the development of the majority of its new analogs. Herein, we employed a silicon switch approach for improving the BBB permeability of CNS drugs with tacrine as a tool compound. The replacement of C2 methylene of tacrine with dimethyl silicon yielded {\textquoteleft}sila-tacrine{\textquoteright} that inhibits acetylcholinesterase as well as butyrylcholinesterase with IC50 values of 3.18 and 6.09 mu M, respectively. Sila-tacrine competitively inhibits acetylcholinesterase while it is a non-competitive inhibitor of butyrylcholinesterase. The molecular docking results corroborated with the in vitro cholinesterase inhibition activity of tacrine vs. sila-tacrine. Sila-tacrine demonstrated metabolic stability in HLM and MLM and exhibited superior plasma exposure in an oral pharmacokinetic study in Swiss albino mice. However, tissue distribution studies revealed lower-than-expected brain levels due to efflux pump-mediated transport. This study offers a proof-of-concept for the silicon switch approach in improving the BBB permeability of CNS-active compounds.

}, doi = {10.1039/d5md00019j}, author = {Kulkarni, Akshay S. and Ramana, Sreenivasa Rao and Nuthakki, Vijay K. and Bhatt, Shipra and Jamwal, Ashiya and Nandawadekar, Laxman D. and Jotshi, Anshika and Kumar, Ajay and Nandi, Utpal and Bharate, Sandip B. and Reddy, D. Srinivasa} } @article {49603, title = {Simple freeze-thaw based method for efficient purification of recombinant human proinsulin from inclusion bodies}, journal = {Protein Expression and Purification}, volume = {227}, year = {2025}, month = {MAR}, pages = {106645}, type = {Article}, abstract = {

Insulin is a pivotal peptide hormone essential for regulating glucose homeostasis. It has been known for over 100 years, but its production and purification methods are still under improvement. Escherichia coli based bacterial expression system is primarily used for insulin production. The human insulin protein expressed in bacteria usually forms inclusion bodies, complicating the purification process. Traditionally, insulin purification is a timeconsuming process involving urea-based denaturation methods, and various refolding techniques, followed by extensive chromatographic methods. Here, we report an easy and efficient purification of human proinsulin involving freeze-thaw based solubilization method. The extracted proinsulin inclusion bodies are treated with different concentrations of urea, followed by a freeze-thaw based solubilization. The freezing was carried out at various temperatures, mainly -80 degrees C, -20 degrees C, and -196 degrees C to determine the optimum condition for solubilization. Highest solubilization of proinsulin from the inclusion body was achieved with 0.5M urea and -20 degrees C. Further Nickel NTA-based purification was performed, and the purified protein was characterized for disulfide mapping by high-resolution mass spectrometer (HRMS). We also performed glucose uptake assays to validate the functional properties of purified proinsulin. This freeze-thaw based mild solubilization approach is a fast and effective method for getting bioactive proinsulin, which will help further design better purification and processing strategies for insulin production.

}, keywords = {Diabetes, Disulfide mapping, glucose, insulin, Mass spectrometry}, issn = {1046-5928}, doi = {10.1016/j.pep.2024.106645}, author = {Rajesh, S. and Jathar, Swaraj and Banarjee, Reema and Sharma, Monika and Palkar, Shivani and Shankar, S. Shiva and Kulkarni, Mahesh J.} } @article {49679, title = {Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {JUL}, pages = {11989-11998}, type = {Article}, abstract = {

Multi-carbazole-based benzonitrile systems are efficient thermally activated delayed fluorescence (TADF) materials for organic light-emitting diodes (OLEDs). However, they suffer from low PLQY due to the large dihedral angle arising from steric crowding. Addressing this challenge, we demonstrate a potent strategy to engineer steric crowding in this work. To achieve our goal, we have designed three luminogens, namely, CzPHCN, tCzPHCN and Cz2CzPHCN based on phenanthrene-9,10-dicarbonitrile (PHCN), as an acceptor core to minimize the steric hindrance between the donor groups. Among the three luminogens, tCzPHCN exhibits a maximum PLQY of 86\% and the highest RISC rate of 3.5 x 105 s-1, the underlying cause being the least dihedral angle of 45.72 degrees and suppressed intermolecular interaction due to the presence of the bulky tert-butyl group. Interestingly, our QM/MM calculations and experimental evidence suggest that the RISC process of both CzPHCN and tCzPHCN takes place via a hot exciton channel. Unlocking a new realm of applications, the unique non-centrosymmetric space group (Cmc21) of CzPHCN offers excellent SHG with a chi(2) value of 0.21 pm V-1 at 1320 nm. In addition to this, the molecule depicts good ferroelectric (PS = 0.32 mu C cm-2), piezoelectric energy harvesting (VOC = 2.8 V) and two-photon absorption properties.

}, issn = {2041-6520}, doi = {10.1039/d5sc02107c}, author = {Dutta, Madhusudan and Chatterjee, Abhijit and Deka, Nilotpal and Tanwar, Riteeka and Mishra, Vishnu and Saha, Arindam and Mandal, Pankaj and Boomishankar, Ramamoorthy and Hazra, Partha} } @article {49907, title = {Structure-dynamics correlation and its link to fragility and dynamic heterogeneity}, journal = {Journal of Statistical Mechanics-Theory and Experiment}, volume = {2025}, year = {2025}, month = {SEP }, pages = {094005}, type = {Article}, abstract = {

Understanding the connection between structure, dynamics, and fragility, the rate at which the relaxation time grows with the decreasing temperature, is central to unravelling the glass transition. Fragility is often associated with dynamic heterogeneity, implying that if the structure influences the dynamics, more fragile systems should exhibit stronger structure-dynamics correlations. In this study, we test the generality of this assumption using the Lennard-Jones (LJ) and Weeks-Chandler-Andersen systems, where the fragility is tuned via the density, and a modified LJ (q, p) system, where the fragility is varied by changing the potential softness. We define a structural order parameter based on a mean-field caging potential and analyse the energy barriers at both the macroscopic and microscopic levels. While the macroscopic free energy barrier slope correlates with fragility, the microscopic free energy barrier does not show a consistent trend. Instead, it exhibits a strong correlation with a structure-dynamics correlation measure obtained from isoconfigurational ensemble simulations. Interestingly, the two systems showing the highest structure-dynamics correlation, LJ at rho = 1.1 and the (8, 5) model, are respectively the least and most fragile within their classes. These systems exhibit broad mobility distributions and large non-Gaussian parameters but low four-point susceptibilities, suggesting a decoupling between the spatial correlation length and mobility contrast. Both systems lie in the enthalpy-dominated regime and are close to the spinodal, pointing to mechanical instability as a source of heterogeneity. Our results reveal that the structure-dynamics correlation is more closely linked to the contrast in individual particle mobility than to the spatial extent of dynamic correlations that typically scale with fragility.

}, keywords = {dynamical heterogeneities, Glasses, glassy dynamics, slow relaxation, structural}, issn = {1742-5468}, doi = {10.1088/1742-5468/ae012d}, author = {Sharma, Mohit and Sastry, Srikanth and Maitra Bhattacharyya, Sarika} } @article {49928, title = {Supramolecular self-assembly of glochidonol: a renewable triterpenoid from glochidion tomentosum}, journal = {Chemistryselect}, volume = {10}, year = {2025}, month = {AUG }, pages = {e01207}, type = {Article}, abstract = {

Glochidonol a lupane pentacyclic (6-6-6-6-5) triterpenoid isolated from Glochidion tomentosum, exhibited exceptional gelation ability compared to the screened lupane- and oleanane-type triterpenoids. This study represents the first report on the self-assembly behavior of glochidonol in various liquids. The molecule self-assembled to form gels in all tested aromatic solvents, whereas no gelation was observed in water or phosphate buffer. The structural and physical properties of the self-assembled glochidonol were characterized using optical microscopy, scanning electron microscopy, atomic force microscopy, and Fourier-transform infrared spectroscopy. Additionally, the glochidonol-based self-assembled fibrillar network was utilized for the encapsulation of fluorescein isothiocyanate as a model drug, highlighting its potential for biomedical applications. A glochidonol-based gel loaded with doxorubicin exhibited sustained, diffusion-mediated drug release into PBS, accompanied by partial gel degradation. Fluorescence analysis confirmed release suggesting drug-gel interactions and diffusion. The glochidonol-based gel demonstrated sustained, diffusion-controlled doxorubicin release with partial degradation under physiological conditions.

}, keywords = {Glochidion tomentosum, Glochidonol, Organo gelator, Self-assembly, Triterpenoids}, issn = {2365-6549}, doi = {10.1002/slct.202501207}, author = {Patil, Harshal S. and Jagadeesh, K. S. and Dinore, Jaysingh and Sharanappa, P. and Baviskar, Ashwini S. and Thulasiram, Hirekodathakallu V.} } @article {49805, title = {Sustainable base-mediated chemical upcycling of poly (propylene carbonate) to β-hydroxy sulfides and oxides}, journal = {Green Chemistry}, volume = {27}, year = {2025}, month = {SEP}, pages = {10543-10549}, type = {Article}, abstract = {

We present a cesium carbonate-mediated method to upcycle poly(propylene carbonate) (PPC) waste into beta-hydroxy sulfides, selenides, and phenoxides via selective thermal depolymerization. The process tolerates diverse nucleophiles, including those from multilayer plastics. Mechanistic studies support a cesium aryl thiolate-driven nucleophilic degradation. The beta-hydroxy products are easily functionalized, and the base is recyclable, offering a sustainable route for PPC valorization.

}, issn = {1463-9262}, doi = {10.1039/d5gc02451j}, author = {Moyilla, Nageswararao and Padhi, Ganeshdev and Barsu, Nagaraju} } @article {49948, title = {Sustainable cellulose nanofiber extraction from Borassus flabellifer: a comprehensive study and analytical insights}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {SEP}, pages = {25359-25373}, type = {Article}, abstract = {

Cellulose, a biodegradable and renewable material, is versatile and transforms various fields. This work uses a chemo-mechanical method to discuss the extraction and analysis of palmyra (Borassus flabellifer) fruit derived cellulose nanofibers (PFCNF). The mild acid treatment, steam explosion, and homogenization could increase the physico-chemical properties of Borassus flabellifer fiber. The chemical composition and FTIR analysis confirmed the successful elimination of the hemicellulose, lignin, and other extractives in the palmyra fruit pulp. The solid-state 13C NMR proved the cellulose type I structure of the extracted PFCNF. The crystallinity index of PFCNF was found to be 57\%. The yield of the cellulose was calculated to be 44\%. PFCNF exhibited fibrous morphology with a nanodimension of 10-80 nm, validated using scanning electron microscopy and transmission electron microscopy. With progressive treatments, the thermal stability was increased, and the Tmax of PFCNF was 32 degrees C higher compared to the raw fibers. These superior properties further support their potential in eco-friendly packaging, advanced composites, biomedical materials, film production, electronics, coating materials, and paper production.

}, keywords = {Borassus flabellifer, Biomass, Cellulose nanofiber, Eco-friendly extraction, Sustainable materials, Waste valorization}, issn = {2190-6815}, doi = {10.1007/s13399-025-06859-0}, author = {Surya, S. and Soman, Arathy and Krishnan, Akhil and Suresh, M. Parvana and Neenu, K. V. and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Begum, P. M. Sabura and Dominic, C. D. Midhun} } @article {49961, title = {Sustainable isolation of cellulose nanofibers with superior crystallinity and thermal stability from Terminalia catappa L. fruit peel waste}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {JUL}, pages = {21557-21572}, type = {Article}, abstract = {

Turning agricultural waste into value-added products is a key focus of sustainable development. Herein, cellulose nanofibers (CNF) were extracted from the pericarp of Terminalia catappa L. for the first time. The CNF was extracted by chlorine-free pretreatment methods followed by oxalic acid hydrolysis (5 wt\%) assisted with steam explosion. The prepared CNF were characterized by Fourier transform infrared spectroscopy (FTIR), solid-state 13C nuclear magnetic resonance spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA and DTG). FTIR analysis confirmed the successful removal of lignin and hemicellulose during chemical treatment which was again validated by solid-state 13C NMR analysis. TEM image revealed that the diameter of the extracted nanofibers ranges from 14 to 18 nm. From XRD analysis, the crystallinity index of the CNF was 82\%, while that of the raw sample was 62 \%. The temperature at which the maximum degradation (Tmax) of CNF occurred was found to be 372 degrees C which is superior to that of the raw sample (334 degrees C). The extracted cellulose nanofibers were used to prepare cellulose paper, demonstrating a tensile strength of 1.1 MPa, indicating its potential suitability for biodegradable packaging applications.

}, keywords = {cellulose, Cellulose nanofiber, green synthesis, Waste to wealth}, issn = {2190-6815}, doi = {10.1007/s13399-025-06726-y}, author = {Harsha, R. and Mol, A. P. Princy and Paul, Sharon and Badawi, Michael and Ajithkumar, T. G. and Rao, H. Jeevan and Parameswaranpillai, Jyotishkumar and Nair, Ajalesh B. and Begum, P. M. Sabura and Dominic, C. D. Midhun} } @article {49917, title = {Synergistic effect of acidic-basic features of copper-doped layered double hydroxides nanocatalysts in valorization of biomass-derived furfural to biofuels}, journal = {ChemPlusChem}, volume = {90}, year = {2025}, month = {DEC}, pages = {e202500416}, type = {Article}, abstract = {

Valorization of biomass-derived chemicals into high-quality compounds and biofuels is enormously fundamental to diminish dependence on fossil-based resources. Furfural is a bio-based valuable compound which can be proficiently upgraded to 4-(2-furyl)-3-buten-2-one (FAc) and 1,4-pentadiene-3-one, 1,5-di-2-furanyl (F 2 Ac) via aldol condensation of furfural with acetone. In the present work, efficient Cu-doped Mg-Al layered double hydroxides (LDH) nanocatalysts are fabricated by coprecipitation and are exploited for furfural conversion to obtained FAc and F 2 Ac. The structure-activity relationship is scrutinized by characterizing fresh and spent nanocatalysts via numerous techniques. The good correlation between the amount of weak acidic-weak basic catalytic sites and nanocatalysts performance is established. The superior performance of Cu-0.1 nanocatalyst (Cu-content = 1.85 wt\%) in aldol condensation is attributed to the presence of optimum weak acidic sites (0.21 mmol g-1) and weak basic sites (0.36 mmol g-1), synergistic acidic-basic effect, nano-sized Cu(OH) 2 nanoparticles (1.6 nm), high BET surface area (181 m2 g-1), and mesoporous architecture of material. Cu-0.1 nanocatalyst delivered 98\% FAc selectivity with 100\% furfural conversion at 85 degrees C. Furthermore, at 100 degrees C, the nanocatalyst gives 55\% F 2 Ac selectivity with 73\% furfural conversion. The catalyst displays good recyclability (7 recycles) and stability. Plausible mechanistic pathway for transformation of furfural to FAc and F 2 Ac is proposed.

}, keywords = {Aldol condensation, biofuels, biomass valorization, nanocatalysis, synergistic effect}, issn = {2192-6506}, doi = {10.1002/cplu.202500416}, author = {Gode, Nilesh G. and Nagpure, Atul S. and Rewatkar, Suresh B. and Bhagat, Shailesh K. and Deshmukh, Ganpat D. and Saini, Ajay} } @article {49496, title = {Synergistic improvement of narrow bandgap PbS quantum dot solar cells through surface ligand engineering, near-infrared spectral matching, and enhanced electrode transparency}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {6614-6625}, type = {Article}, abstract = {

The tunability of the energy bandgap in the near-infrared (NIR) range uniquely positions colloidal lead sulfide (PbS) quantum dots (QDs) as a versatile material to enhance the performance of existing perovskite and silicon solar cells in tandem architectures. The desired narrow bandgap (NBG) PbS QDs exhibit polar (111) and nonpolar (100) terminal facets, making effective surface passivation through ligand engineering highly challenging. Despite recent breakthroughs in surface ligand engineering, NBG PbS QDs suffer from uncontrolled agglomeration in solid films, leading to increased energy disorder and trap formation. The limited NIR transparency of commonly used indium-doped tin oxide (ITO) electrodes and inadequate NIR radiation from commercially available solar simulators further compromise the true performance of NBG PbS QDs in solar cells. Here, we employ a hybrid ligand strategy based on inorganic cadmium halide and organic thiol molecules, leading to the partial substitution of surface Pb atoms with Cd heteroatoms. This hybrid ligand strategy substantially reduces undesired QD fusion in solid films, improving the photophysical and electronic properties. By modulating the thickness of the ITO layer and managing refraction loss through a ZnO layer coating, we improved NIR transparency to above 80\%. We combine an NIR light source with a solar simulator to achieve near-ideal spectral matching for a broader range with standard AM1.5G illumination. Enhancements in surface passivation of QDs, improvements in NIR transparency of electrodes, and a spectral matched light source setup help us achieve solar cell power conversion efficiencies of 12.4\%, 4.48\%, and 1.37\% under AM 1.5G, perovskite filter, and silicon filter illuminations, respectively. A record open-circuit voltage (V oc) of 0.54 V and short-circuit current density (J sc) of 38.5 mA/cm2 are achieved under AM 1.5G illumination. We attribute these advancements in photovoltaic parameters to the reduction in Urbach tail states and intermediate trap density originating from superior surface passivation of QDs.

}, keywords = {lead sulfide, ligand passivation, near-infrared, quantum dots, solar cell, tandem solarcell}, issn = {1944-8244}, doi = {10.1021/acsami.4c22334}, author = {Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Mitra, Anurag and Girade, Vrushali S. and Rath, Arup K.} } @article {49994, title = {Synthesis and characterization of thermosetting adhesives from epoxidized Thevetia peruviana oil for sustainable bonding solutions}, journal = {RSC Sustainability}, volume = {4}, year = {2025}, month = {DEC}, pages = {456-465}, type = {Article}, abstract = {
The demand for bio-based epoxy thermoset alternatives within the adhesive industry has seen substantial growth in recent years. This increase is attributed to a heightened exploration of renewable materials, including biopolymers and monomers derived from renewable resources. However, despite these significant advancements, a considerable portion of the research primarily focuses on edible oils, which may inadvertently neglect critical implications for food security. So, this study explores the thermal, mechanical, and adhesive properties of epoxy thermosets derived from biobased epoxidized\ Thevetia peruviana\ oil (ETPO) cured with two diamines, 1,10-decane diamine (DDA) and\ m-xylene diamine (XDA), using imidazole (IM) as a catalytic initiator. The thermosets were evaluated for lap shear strength on stainless steel (SS) and aluminium (Al) substrates at varying imidazole concentrations (0{\textendash}5\%) and curing times (24{\textendash}96 hours). The results show that DDA-cured thermosets demonstrate superior thermal stability and heat resistance, with\ T5\%\ increasing from 149 {\textdegree}C to 256 {\textdegree}C and\ THRI\ from 139 {\textdegree}C to 162 {\textdegree}C as IM concentration rises. XDA-cured thermosets exhibit higher adhesive strength, peaking at 1.47 MPa on SS at 5\% IM and 72 hours, but lower thermal stability, with\ T5\%\ values decreasing from 157 {\textdegree}C to 68 {\textdegree}C. Imidazole{\textquoteright}s catalytic efficiency enhanced the crosslinking in both systems, with DDA providing better thermal stability and XDA delivering higher adhesive strength. These findings demonstrate the potential of ETPO-based thermosets as sustainable adhesives, offering excellent performance for industrial applications.
The demand for bio-based epoxy thermoset alternatives within the adhesive industry has seen substantial growth in recent years.

}, doi = {https://doi.org/10.1039/d5su00782h}, author = {Kambikanam, Karthika Vayalachery and Bindu, Bhadra Purushothaman and Olosho, Adebayo Isaac and Nair, Kiran Sukumaran} } @article {49527, title = {Synthesis and concomitant polymorphs of green fluorescence protein chromophore-anthracene-based fluorescent analogue}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {FEB}, pages = {1011-1022}, type = {Article}, abstract = {

Controlled variations in fluorescence properties hold significant promise for applications in optical sensors, bioimaging, and advanced display devices. However, constructing multicolor fluorescent systems remains a challenge. In this study, we demonstrate the development of multicolor fluorescence by generating polymorphs of a novel green fluorescent protein chromophore analogue, which exhibits distinct photoluminescence emissions in the solid state. The observed emission variations are attributed to differences in molecular conformation due to variations in pi-stacking interactions between the polymorphs. This offers a novel approach to designing materials with tunable fluorescence properties.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c01347}, author = {Mali, Bhupendra P. and Dabke, Niteen B. and Dash, Soumya R. and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {49993, title = {Synthesis and crystal structure of [Sr(urea)(NO3)2]n}, journal = {Acta crystallographica Section E, Crystallographic communications}, volume = {81}, year = {2025}, month = {FEB}, pages = {96-98.}, type = {Article}, abstract = {

The crystal structure of poly[di-μ2-nitrato-μ2-urea-strontium(II)], [Sr(NO3)2(CH4N2O)]\ n\ , was determined using single-crystal X-ray diffraction. Crystallizing in the ortho-rhom-bic space group\ Aba2, the asymmetric unit consists of an SrII\ cation, two nitrate anions, and two half urea mol-ecules. The SrII\ cation adopts a distorted deca-hedral geometry coordinated by ten oxygen atoms, with Sr-O bond lengths ranging from 2.573 (3) to 2.847 (5) {\r A}. The nitrate anions act as bidentate ligands, displaying both terminal and bridging coordination modes. The structure features a robust coordination network supported by hydrogen bonding. These results provide insight into the coord-ination behaviour of SrII\ with nitrate and urea ligands, contributing to the understanding of supra-molecular architectures in metal-organic frameworks (MOFs).

}, doi = {10.1107/S2056989024012386}, author = {Bektursinova, Aysanem and Djumanazarova, Zulfiya and Uzakbergenova, Zamira and Ashurov, Jamshid and Khan, Akram A. and Kadirova, Shakhnoza and Torambetov, Batirbay} } @article {49624, title = {Synthesis and structural studies of ammonium exchanged synthetic analogue of disordered aluminosilicate natrolite}, journal = {Microporous and Mesoporous Materials}, volume = {384}, year = {2025}, month = {FEB}, pages = {113441}, type = {Article}, abstract = {

The current article reports preparation and structural analysis of NH4+ exchanged form of synthetic natrolite zeolite (NH4-natrolite) with disordered structure wherein Si and Al occupies all the tetrahedral (T) sites in the zeolite framework. Structural data is used to gain insight into the structural parameters those influence thermal stability of its proposed H-form. NH4-natrolite is prepared by ion-exchange method from K-natrolite (which was also obtained by ion-exchange with Na-natrolite). Na-natrolite, K-natrolite and NH4-natrolite prepared in this study were tested for their structural, morphological and thermal analysis. Synchrotron X-ray diffraction data was utilized to estimate the crystal structures of hydrated forms of Na-natrolite, K-natrolite and NH4-exchanged natrolites. Thermal analysis of NH4-natrolite revealed that the dehydration is followed by removal of ammonia during calcination. The role of the size (radius) and nature (either divalent or monovalent) of the exchangeable cations present in the channels, the framework chemical content and extent of {\textquoteleft}T{\textquoteright} atom ordering have been collectively discussed and correlated with the structural behaviour of calcined NH4-natrolite to explain its thermal stability in better way.

}, keywords = {Crystal structure of natrolite, Disordered framework, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2024.113441}, author = {Gavhane, Manjusha J. and Jha, R. K. and Nam, Kyung-Wan and Bhange, Deu S.} } @article {49558, title = {Synthesis, biological screening, and molecular docking of hybrid pyrazole scaffolds for antitubercular and antimicrobial activity}, journal = {ChemistrySelect}, volume = {10}, year = {2025}, month = {JAN}, pages = {e202404830}, type = {Article}, abstract = {

This study reports the synthesis, characterization, and docking analysis of 21 novel compounds, including asymmetric dihydropyridines (4a-4o) and chalcones (6a-6f), derived from coupling 1,3-(substituted)-diphenyl-1H-pyrazole-4-carbaldehyde with active methylene compounds and 3-acetyl-4-hydroxycoumarin, respectively. Structural confirmation was achieved through 1H and 13C NMR, IR, and mass spectrometry. Biological screening against mycobacterium tuberculosis H37Ra identified compounds 4b, 4d, 4f, 4g , 4i, 4k, 6e, and 6f as significant antitubercular agents. Antibacterial evaluation at 30 mu g/mL showed selective inhibition of gram-positive bacteria, with compound 6e active against Staphylococcus aureus and Bacillus subtilis, and 6f showing activity specifically against S. aureus. Docking studies indicated effective InhA binding (Delta G = -3.52 to -7.27 kcal/mol) and inhibition constants ranging from 2640 to 4.71 mu M. Key binding interactions with residues TYR156 and ILE192 were observed, enhancing affinity, particularly for compound 6e. The SAR analysis emphasized the enhanced antitubercular potency of 2-chloroacetyl and 2,4-dichlorobenzoyl substitutions in the dihydropyridine series, while in the chalcone series, specific substitutions, such as the 3-nitro substitution in 6e, enhance antitubercular and antimicrobial potency due to stronger hydrogen bonding and increased polar surface area, while the 4-fluoro substitution in 6f confers selective activity against S. aureus.

}, keywords = {1, 4-dihydropyridine, 4-hydroxy coumarin, Biological activity, In silco studies, Pyrazole}, issn = {2365-6549}, doi = {10.1002/slct.202404830}, author = {Bavishi, Abhay and Vala, Hardev and Radadiya, Ashish and Swami, Sagar and Thakrar, Shailesh and Sarkar, Dhiman and Shah, Anamik} } @article {49517, title = {Synthesis, characterization and theoretical investigations of the newly developed molecular salts of an anti-psychotic drug (Penfluridol)}, journal = {Journal of Molecular Structure}, volume = {1328}, year = {2025}, month = {APR}, pages = {141392}, type = {Article}, abstract = {

Penfluridol (PEN) is a clinically relevant antipsychotic medication used to treat schizophrenia; nevertheless, its bioavailability is limited due to its poor solubility. To address this issues, new molecular salts of PEN are being produced utilizing an array of GRAS (Generally Recognised AS Safe) salt formers such as oxalic acid (OXA), malonic acid (MAL), maleic acid (MAE), and an artificial sweetener (saccharin (SAC)). A variety of solid-state analytical techniques were used to identify and characterize the resulting molecular salts. Moreover, PEN and its novel salts{\textquoteright} solubility were assessed using high-performance liquid chromatography (HPLC) and the data revealed that among all the adducts PEN.MAL exhibited a significantly higher solubility which is similar to 15 times more than the parent drug PEN. Furthermore, in order to enhance comprehension of the hydrogen bonding interaction, the Hirshfeld surface (HS), frontier molecular orbital (HOMO-LUMO), non-covalent interaction plots (NCIs), and electrostatic potential maps (ESP) investigations are discussed. Additionally, the stability of the synthesized adducts was evaluated over a 2-week period under accelerated humidity (90 \% +/- 5 \% RH, 40 +/- 1 degrees C) and it was observed that all the adducts demonstrated excellent stability. In light of the aforementioned observations, we expect that the latest discovery will be a superior alternative for refining and strengthening the pharmacological features of PEN.

}, keywords = {Anti-psychotic drug, Hydrogen bond, Liquid-assisted grinding (LAG), solubility}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.141392}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Kar, Ananya and Giri, Lopamudra and Mahapatra, Sanat Kumar and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Dandela, Rambabu} } @article {49990, title = {Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thia-zol-2-yl)sulfan-yl]-1,3,4-thia-diazole}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {569{\textendash}572}, type = {Article}, abstract = {

The title compound, C6H5N3S3, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group\ P21/c\ and features non-classical inter-molecular C{\textemdash}H...N hydrogen bonds, along with π{\textendash}π stacking inter-actions that contribute to the crystal cohesion. Hirshfeld surface analysis highlights significant inter-molecular inter-actions including, among others, N...H/H...N, S...H/H...S, and S...C/C...S contacts.

}, doi = {10.1107/S2056989025004980}, author = {Kinshakova, Ekaterina and Torambetov, Batirbay and Bharty, Manoj K. and Atashov, Aziz and Rasulov, Abdusamat and Kadirova, Shakhnoza and Gonnade, Rajesh G.} } @article {49836, title = {Synthesis of benzannulated [5,6] oxa-fused/spiro-lactones via [4+2] cycloaddition with quinone methides: new insights into deconjugated butenolide reactivity}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {OCT}, pages = {15185-15190}, type = {Article}, abstract = {

In this study, we unfold a Lewis-acid-catalyzed inverse electron demand hetero Diels-Alder (IEDHDA) [4 + 2] reaction, leveraging the unique beta-selective nucleophilicity of deconjugate lactone in conjunction with quinone methides for the synthesis of polycyclic fused and spiro acetals in a one-pot process. This cascade annulation reaction efficiently generates 3/4 chiral centers with high diastereoselectivity. The developed methodology proceeds under mild reaction conditions and exhibits a broad substrate scope for fused and spiro acetal formation.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c01468}, author = {Kumar, Manish and Kale, Someshwar B. and Jawahar, Subramani and Barkade, Apurva D. and Das, Utpal} } @article {49683, title = {Synthesis of diamido N-heterocyclic imines (DAC = NH) via staudinger or reductive N-N bond cleavage approach}, journal = {Organometallics}, volume = {44}, year = {2025}, month = {MAY}, pages = {1129-1133}, type = {Article}, abstract = {

This report communicates the first examples of N-heterocyclic imines based on electrophilic diamido carbenes (DACs). While 2 is prepared by classical Staudinger synthesis, 4 is obtained via an unusual reductive N-N bond cleavage of an azine by HCl. The exocyclic C=N bond lengths in 2 and 4 are substantially shorter than those based on N-heterocyclic carbenes and cyclic (alkyl)(amino)carbene reflecting the electrophilic character of DACs.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.5c00120}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49547, title = {Synthesis of isatins via oxone{\textregistered} /TBAI-mediated on-water oxidation of indoles}, journal = {Synthesis-Stuttgart}, volume = {57}, year = {2025}, month = {MAY}, pages = {1583-1591}, type = {Article}, abstract = {

Isatins and their derivatives are important scaffolds in a wide range of pharmaceuticals, bioactive compounds, and functional materials. Herein we describe a new strategy for the synthesis of isatins from indoles via Oxone (R)/TBAI-mediated oxidative dearomatization of indoles in water. The strategy works well with a variety of N-protected indoles and azaindoles.

}, keywords = {dearomatization, indoles, isatins, Oxidation, Water}, issn = {0039-7881}, doi = {10.1055/a-2492-3240}, author = {Khajuria, Pratiksha and Bag, Debojyoti and Sawant, Sanghapal D.} } @article {49537, title = {Tf2O-Induced C(sp2)-N(sp2) bond formation: one-pot synthesis of N-heteroarene quaternary salts in nonbenzenoid skeleton of tropolone alkaloids under mild reaction conditions}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAR}, pages = {2592-2596}, type = {Article}, abstract = {

Naturally occurring protoalkaloids, such as colchicine and colchicoside, have significant medical applications and are used globally to treat a variety of diseases. We report herein a C(sp2)-N(sp2) bond formation protocol via a Tf2O (triflic anhydride)-assisted one-pot aromatic nucleophilic substitution (SNAr) reaction on various naturally occurring biologically active compounds such as colchicine, 3-demethyl colchicine, and 2-methoxy tropone under mild reaction conditions. Synthesis of bench-stable heterotropone quaternary salts was achieved by the reaction of tropolone alkaloids with diverse non-nucleophilic N-heterocycles. The developed methodology demonstrates wide substrate scope with good to very good yield. Our devised approach paves the way for future drug design efforts involving bioactive natural products with tropolone skeletons.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00183}, author = {Lohote, Mahendra V. and Bhattacharya, Asish K.} } @article {49967, title = {Towards improved activity and stability in RWGS reaction: Dispersed copper in mesoporous alumina matrix as a strategy for enhanced performance}, journal = {Chemical Engineering Journal}, volume = {525}, year = {2025}, month = {DEC }, pages = {169863}, type = {Article}, abstract = {

The development of highly performing Cu-based catalysts with high dispersion of Cu species in nanocrystalline form on a suitable oxide support is significant in reverse water gas shift (RWGS) reaction. We report a simple and robust one-pot sol-gel synthesis of mesoporous Al10-xCuxOy (m gamma-Al10-xCux-SG) catalysts with Cu species in a highly dispersed nanocrystalline form in the gamma-Al2O3 matrix and its high catalytic performance in RWGS reaction. The lack of long range structural order of copper species in m gamma-Al10-xCux-SG catalysts evidenced from Cu-K edge extended X-ray absorption fine structure (EXAFS) studies illustrates the fine distribution of copper species in mesoporous gamma-Al2O3 lattice. Activity study revealed that m gamma-Al10-xCux-SG catalysts showed significantly high CO2 conversion to CO and excellent catalytic stability compared to gamma-Al10-xCux-I prepared by conventional impregnation method. Mesoporous Al9Cu1 (m gamma-Al9Cu1) displayed a CO2 conversion of 45 \% at 500 degrees C, which is about 2.8 times higher activity than conventional gamma-Al9Cu1-I catalyst with almost same Cu loading as that of m gamma-Al9Cu1 catalyst. Stability study at 500 degrees C over a period of 50 h revealed that m gamma-Al10-xCux-SG catalysts at low Cu loading (m gamma-Al9.9Cu0.1) showed excellent catalytic stability. The strong copper-alumina interaction in m gamma-Al10-xCux-SG catalysts with enhanced number of active sites at the copper-alumina interface as evidenced from field emission scanning electron microscope (FESEM), high-resolution transmission electron microscope (HRTEM), H2-temperature programmed reduction (H2-TPR), X-ray photoelectron spectroscopy (XPS), electrochemical characterization, and Cu-K edge EXAFS analysis enhances the activity and stability of the catalyst. Density functional theory (DFT) studies and the Operando DRIFTS-MS analysis of RWGS over m gamma-Al9Cu1 catalyst revealed that the mechanism of RWGS reaction to CO formation on m gamma-Al10-xCux-SG catalysts is preceded through the formation of a hydroxycarbonyl (OCOH) intermediate. The present synthesis strategy provides an opportunity for producing Cu-based catalysts with further enhanced activity and stability in RWGS reaction by suitable modification of the catalyst.

}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.169863}, author = {Saju, Simi and Rajendran, Sivaraj and Oztas, Ulviye and Ruiz, Sergio Carrasco and Reina, Tomas Ramirez and Ghosh, Biplab and Sree, Sreeprasanth Pulinthanathu and Meena, Raghavendra and Li, Guanna and Bobadilla, Luis F. and Vinod, Chathakudath P. and Mathew, Thomas and Shiju, N. Raveendran} } @article {49519, title = {Triple G-C-T base-coded self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {FEB}, pages = {2822-2829}, type = {Article}, abstract = {

We report self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications. These nucleobase monomers are adorned with nature-inspired triple G-C-T nucleobases featuring three recognition sites: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Using readily accessible starting materials, these monomers can be synthesized in excellent yields, making them good choices for diverse applications. Their unique structural features, coupled with their water solubility, may offer exciting opportunities for the creation of new biomaterials.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c02745}, author = {Singh, Dharmendra and Gone, Nilu V. and Bandi, Kiran and Davis, Disiya and Nair, Kiran Sukumaran and Sanjayan, Gangadhar J.} } @article {49793, title = {Tunable, amine-functionalized porous silica catalyst for CO2 transformation into cyclic organic carbonates at atmospheric pressure}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {AUG }, type = {Article}, abstract = {

A silica catalyst with characteristic features of broad pore size distribution, large pore width and tunable basic sites was synthesized by a one-step green co-condensation synthesis method analogous to SBA-15 synthesis. The surface chemical features of the above catalyst were explored by XPS, N-2 and CO2 adsorption and desorption experiments. The catalyst showed 90\% conversion of styrene oxide (SO) with nearly complete selectivity toward styrene carbonate (SC) in 7 hours under a solvent-free condition at a temperature of 120 degrees C with the aid of co-catalyst tetrabutylammonium bromide (TBAB). Moreover, the catalyst demonstrates versatility with various epoxide substrates, providing valuable insights into the cycloaddition reaction under ambient pressure conditions involving carbon dioxide. The mechanistic details of the catalytic conversion were investigated by the in-situ DRIFT studies and reported here.

}, keywords = {CO2 fixation, cyclic organic carbonates, heterogeneous catalysis, in-situ FTIR}, issn = {0947-6539}, doi = {10.1002/chem.202500873}, author = {Gorai, Twinkle and Thanasekar, Chandragopal and Kumar, Pawan and Babu, Athira and Kurungot, Sreekumar and Vinod, C. P.} } @article {49930, title = {An ultrasound-assisted green synthesis of 1,3-diphenyl pyrazole-based spirooxindolo-1,2,4-oxadiazoles: their in vitro anti-tubercular activity and in silico molecular dynamics}, journal = {Chemistryselect}, volume = {10}, year = {2025}, month = {OCT}, pages = {e01693}, type = {Article}, abstract = {

A simple base-mediated one-pot synthetic green methodology has been successfully employed for the synthesis of 1,3-diphenylpyrazole-based spirooxindolo-1,2,4-oxadiazole derivatives. The newly synthesized analogues were tested for their in vitro anti-tubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv strain, and the results were reported as minimum inhibitory concentration (MIC) values ranging from 3.125 to 25 mu g/mL. Especially, the five compounds 3a, 3f, 3k, 3q, and 3v exhibited good to moderate anti-TB activity with MIC of 3.125 mu g/mL when compared to the reference drug ethambutol (MIC: 1.56 mu g/mL). In silico Molecular docking and molecular dynamics simulations of the protein-ligand complex (3a, 3f, 3k, and 3v) against Mycobacterium tuberculosis DprE1 (PDB ID: 5OEQ) of M. tuberculosis H37Rv strain revealed that these four compounds could be promising anti-mycobacterial candidates, as evident from the binding results and stability of the docked-ligand complexes with considerable least binding energies. ADME parameters were also studied to assess the drug likeness, which clearly shows that the newly developed compounds might be useful for the future development of novel anti-tubercular drugs.

}, keywords = {1, 2, 4-oxadiazoles, In silico molecular dynamic studies, In vitro anti-tubercular activity, ultrasonication}, issn = {2365-6549}, doi = {10.1002/slct.202501693}, author = {Baddepuri, Sravanthi and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Gangarapu, Kiran and Basavoju, Srinivas} } @article {49974, title = {Understanding the antimicrobial and antioxidant potential of bioinspired platinum nanoparticles synthesized using ocimum tenuiflorum}, journal = { BioNanoScience}, volume = {15}, year = {2025}, month = {JAN}, pages = {1789}, type = {Article}, abstract = {

The emergence of infectious diseases has highlighted the need for novel and effective antimicrobial agents. Platinum nanoparticles (PtNPs) could act as a potent antimicrobial agent due to their unique physicochemical properties. However, the chemical or physical synthesis methods of PtNPs have drawbacks, like irregular shape and use of toxic chemicals. These drawbacks can be effectively overcome by using the biological method synthesis. Thus, this study presents the green synthesis of platinum nanoparticles (PtNPs) using\ Ocimum tenuiflorum\ leaf extract as a bio-reductant. The study also comprehensively encompasses the role of multiple process parameters for the green synthesis of PtNPs. The high-resolution transmission electron microscopy (HR-TEM) revealed spherical PtNPs with an average size of 2.36 {\textpm} 0.5 nm that exhibits excellent stability (zeta potential, -45.67 {\textpm} 2.57 mV). Phytochemical analysis of aqueous\ O. tenuiflorum\ leaf extract was performed to assess the bioactive compounds like saponins, phenols, and tannins, reducing sugars and flavonoids. The PtNPs demonstrated significant antioxidant activity of 86.9 {\textpm} 0.12\% at 10 {\textmu}g/mL. Further, the biosynthesized PtNPs showed efficient antimicrobial activity with a minimum inhibitory concentration (MIC) of 6.25 {\textmu}g/mL against\ Escherichia coli\ and 1.5 {\textmu}g/mL against\ Staphylococcus aureus. These findings highlight the therapeutic potential of eco-friendly PtNPs for pharmaceutical and biotechnological applications.

}, author = {Varma, Sanjana and Bamb, Aagam Lalit and Tambe, Sayali A. and Burade, Dimpal K. and Jagdale, Swati and Pande, Bharat and Vamkudoth, Koteswara Rao and Chaudhari, Bhushan P.} } @article {49775, title = {Unified photoredox-catalyzed aerobic oxidative dynamic kinetic asymmetric transformation for C-N atropoisomers mediated by chiral organophosphites}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {AUG }, pages = {8171-8177}, type = {Article}, abstract = {

The synthesis of anilides with a chiral C(=O)-N axis has relied on direct installation of the chiral C(sp2)-N(sp2) bond or enantioselective modification of the peripheral groups. However, these methods are constrained by the size and type of functional groups compatible with each strategy. Herein, we report a dynamic kinetic asymmetric transformation (DYKAT) for the aerobic oxidation of iminium ions to access C(=O)-N axial chirality that addresses those limitations. Furthermore, it eliminates the need for any auxiliary functional groups, which enables us to develop a unified method for the synthesis of atroposelective isoquinolone, lactam, and amide.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c02273}, author = {Saikia, Pinku and Aarthika, M. and Bhattacharjya, Ayantika and Maity, Susmita and Bajpai, Priyam and Bera, Asish and Saha, Arindam and Gonnade, Rajesh G. and Vanka, Kumar and Maity, Pradip} } @article {49850, title = {An unique microwave-assisted approach for synthesis of nanosized Fe3O4 as a catalyst in transfer hydrogenation of furfural}, journal = {Research on Chemical Intermediates}, volume = {51}, year = {2025}, month = {NOV}, pages = {6257-6274}, type = {Article}, abstract = {

In this manuscript, we report an unique, one pot, one step synthesis of Fe3O4 nanoparticles. The protocol for synthesis of nanosized Fe3O4 was developed using only Benzyl Amine and Fe(II)acetate precursor via microwave route. Microwave route enables the synthesis of Fe3O4 nanoparticles in short duration and eliminates the need of several chemicals. These salient features make the entire synthetic process environment benign as per green chemistry principles. The morphology and other properties of synthesized nanoparticles were studied by using X-ray diffraction (XRD), X-ray photoelectron spectroscopy analysis (XPS), Raman spectroscopy, Field Emission Scanning Electron Microscopy (FE-SEM), and High-Resolution-Transmission Electron Microscopy (HR-TEM). As-synthesized Fe3O4 nanoparticles exhibit efficient catalytic transfer hydrogenation of furfural using isopropanol as the solvent and hydrogen source, and provide furfuryl alcohol in good yield. This nanosized Fe3O4 was easily removable using magnet and exhibits good reusability. It is observed that acidic-basic sites of nanosized Fe3O4 play a vital role in catalytic transfer hydrogenation reaction.

}, keywords = {catalytic transfer hydrogenation, Furfural to furfuryl alcohol, green synthesis, Magnetically separable catalyst, Nanosize Fe3O4}, issn = {0922-6168}, doi = {10.1007/s11164-025-05734-x}, author = {Bhatkar, Akash and Yadav, Akash and Gehlot, Bhavika and Rathod, Rutik and Mane, Samruddhi and Gawande, Vaishnavi and Bhosale, Hrtivik and Raja, Thirumalaiswamy and Bhatte, Kushal D.} } @article {49565, title = {Unravelling the Cu-Co nanoparticle synergy over Ceria-Zirconia support toward efficient reverse water gas shift (RWGS) conversion under H2 lean conditions}, journal = {Chemical Engineering Journal}, volume = {508}, year = {2025}, month = {MAR}, pages = {160705}, type = {Article}, abstract = {

CO2 emissions leading to global warming and environmental and socio-economic issues have propelled the research community to develop technologies capable of capturing and converting CO2 into valuable products. Controlling the selectivity toward platform molecules like CO, methanol, or methane is a fundamental challenge in CO2 hydrogenation. Supported cobalt nanoparticles are known for hydrocarbon production through FischerTropsch (FT) reaction, and Cu-based catalysts are known for reverse water gas shift (RWGS) reaction. Here, we show that d-band centre can be carefully modulated by making bimetallic combinations of Cu and Co for a highly active RWGS catalyst. An oxygen vacancy-rich nanostructured ceria-zirconia (CZ) support with Cu nanoparticles (2 wt\%) modified with as low as 0.05 wt\% Co shows excellent conversion for CO2 hydrogenation and selectivity for CO below 500 degrees C. The optimized catalyst shows CO2 conversion even under hydrogen lean conditions (H2/ CO2 ratio 0.5:1), with a breakthrough rate of 206023 mmol/gmetal/h for CO at 600 degrees C, having H2 utilization of 80\% for the RWGS process.

}, keywords = {Bimetallic catalyst, Ceria-zirconia, CO 2 hydrogenation, Cobalt catalyst, Copper catalyst, Reverse water gas shift (RWGS), synergistic effect}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.160705}, author = {Jagtap, Anuradha Vijay and Bamnia, Mahesh Kumar and Maibam, Ashakiran and Bajpai, Jyotsna Paliwal and Gupta, Sharad and Thomas, Sharon K. and Dabke, Niteen B. and Vinod, C. P.} } @article {49628, title = {Upgradation of biomass-derived furfural by nanostructured layered double hydroxides: Influence of stirring rate on structural features of materials}, journal = {Inorganic Chemistry Communications}, volume = {172}, year = {2025}, month = {FEB}, pages = {113756}, type = {Article}, abstract = {

The proficient conversion of biomass-derived compounds into the high-quality platform chemicals and bio-fuels is enormously imperative to decrease dependence on fossil feedstock. Furfural is a significant bio-based chemical which can be efficiently converted to valuable 4-(2-furyl)-3-buten-2-one (FAc) via aldol condensation. In this work, we have developed prominent layered double hydroxides (LDHs) catalysts for mild aldol condensation of furfural and acetone to acquired high performance with admirable FAc selectivity. Various nanostructured Mg-Al LDHs were synthesized through co-precipitation procedure under different stirring rate conditions. The structural, morphological and optical attributes of materials as well as recyclability aspect and structure-activity relationship was examined by characterizing the fresh and spent catalysts via numerous techniques (XRD, N2 sorption, DLS, CO2-TPD, NH3-TPD, FT-IR, UV-Visible spectroscopy, TGA, SEM, TEM, ICP-OES, 27Al NMR spectroscopy, XPS, Raman spectroscopy, etc). Several reaction parameters were also optimized. Among the catalysts tested, LDH-1200 catalyst exhibits outstanding performance by delivering 100\% furfural conversion with 99\% FAc selectivity. Moreover, catalyst illustrates excellent recyclability and stability. The mechanistic insight for aldol condensation was also investigated by monitoring the intermediates at different stages and intervals during the course of the reaction. This study confirms that stirring rate has significant influence on physico-chemical attributes of materials and the amount of weak basic sites plays imperative role in catalytic performance.

}, keywords = {Aldol condensation, Biomass-derived compounds, Flower-shaped nanocrystals, heterogeneous catalysis, Nanostructured mesoporous LDH}, issn = {1387-7003}, doi = {10.1016/j.inoche.2024.113756}, author = {Bhagat, Shailesh K. and Nagpure, Atul S. and Lanjewar, Mamata R. and Gode, Nilesh G. and Deshmukh, Ganpat D. and Saini, Ajay} } @article {49844, title = {Utilizing nature{\textquoteright}s endowment: artificial leaf concept for methane activation to C-C coupled ethanol or ethylene}, journal = {Sustainable Energy \& Fuels}, volume = {9}, year = {2025}, month = {DEC}, pages = {6798-6810}, type = {Article}, abstract = {

Methane activation (MA) to platform chemicals under ambient conditions still remains an open challenge to be fully realised. The present work shows the fabrication of CeVO4 quantum dots (CV-QDs) by a bottom-up approach; they are assembled from Ce3+ and metavanadate ions, and structurally and electronically integrated into the micro-/meso-pores of TiO2 (CV-QD-TiO2 (CVT)), demonstrating the conversion of MA to ethanol/ethylene by visible light-driven photocatalysis. CV-QDs in confined pores modify the quantum confinement effects and are characterized by physicochemical methods. The current synthetic strategy is potentially scalable and results in sub-quadrillion heterojunctions in a 1 mg CVT photoanode spread over 1 cm2. MA with CVT under one-sun conditions demonstrates similar to 100\% selectivity to ethanol, yielding 4.36 mu mol h-1 cm-2, with a solar-to-fuel efficiency (STFE) of 0.56. Further, by employing a co-catalyst, significant STFE (5.08) and yield (39.5 mu mol h-1 cm-2) are achieved selectively towards ethylene. A deliberate addition of methanol increases the rate of ethanol production by 17.2 times, indicating that the methyl-methoxy interaction is the origin of C-C coupling. Weight is normalized to a gram of CV-QDs in a large area CVT photoanode to yield 109 mmol h-1 gCV-QD-1 of ethanol and 988 mmol h-1 gCV-QD-1 of ethylene. Enhanced activity and selectivity towards the C2-product is attributed to band-edge modulation and trillions of heterojunctions, which in turn facilitate charge separation and charge transfer for effective charge utilisation at redox sites.

}, issn = {2398-4902}, doi = {10.1039/d5se01178g}, author = {Kanungo, Subhashree S. and Mishra, Abhaya Kumar and Avani, Mangaladasan J. and Bajpai, Himanshu and Salgaonkar, Kranti N. and Javaregowda, Bharathkumar H. and Gopinath, Chinnakonda S.} } @article {49460, title = {Valorization of avocado peel waste: extraction and characterization of cellulose nanofibers for multifunctional applications}, journal = { Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {APR}, pages = {12789-12800}, type = {Article}, abstract = {

This study explored the utility of underutilized avocado peels for extracting cellulose nanofibers (CNFs). Mild oxalic acid hydrolysis assisted by steam explosion was employed after alkali hydrolysis and chlorine-free bleaching to prepare cellulose nanofibers. The structural, atomic, and elemental features of the extracted fibers were studied using Fourier transform infrared spectroscopy (FTIR),\ 13C solid-state nuclear magnetic resonance (13C NMR) spectroscopy, and energy dispersive X-ray (EDAX) analysis, respectively. The crystallinity index of the nanofibers was 87\%, which was 53\% greater than that of the crude sample. The elution of hemicellulose and lignin was evident from the scanning electron microscopy (SEM) images, and the nanofibers had a fiber diameter of 30{\textendash}82\ nm according to the transmission electron microscopy (TEM) analysis. The applied chemical treatment also elevated the thermal stability of the fibers. The extracted fibers can be applied in numerous fields, including electronics, packaging, automobiles, biomedicine, and cosmetics.

}, doi = {https://doi.org/10.1007/s13399-024-06065-4}, author = {Varsha, P. V. and Neenu, K. V. and Begum, P. M. Sabura and Hounfodji, Jean Wilfried and Sankar, Sameera and Muraleedharan, Sneha and Kamath, Anjali N. and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Midhun, Dominic C. D.} } @article {49825, title = {Waste polyethylene to long-chain unsaturated esters and alcohols via alkene cross-metathesis}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {62}, year = {2025}, month = {AUG }, pages = {660-668}, type = {Article}, abstract = {

The conversion of waste polyethylene into valuable long-chain functional molecules offers a contemporary solution to the global plastic waste challenge. This study presents a two-step catalytic approach, comprising of polyethylene (PE) dehydrogenation followed by cross-metathesis with renewable resource-derived functional olefins, catalyzed by the Grubbs-II catalyst (G-II). A dehydrogenated polyethylene (DHP) was subjected to a tandem catalytic cross-alkene metathesis with functional olefins under mild conditions to achieve approximately 36\% conversion of DHP into valuable long-chain building blocks with controlled product distribution. Comprehensive characterization of intermediates and products was performed using NMR, GC, GC-MS, GPC, and DSC. In the alkene cross-metathesis with methyl-10-undecenoate, the product distribution consisted of 23\% lower alkenes (C8-C14), 40\% unsaturated long-chain mono-esters (C12-C18), and 37\% unsaturated di-esters. In the case of 10-undecen-1-ol, the distribution included 20\% lower alkenes (C8-C11), 32\% unsaturated long-chain (C12-C18) mono-alcohols, and 48\% unsaturated di-alcohols. This strategy opens up new opportunities for converting waste polyethylene into high-value chemical intermediates, enabling resource recovery and delivering environmental benefits.

}, keywords = {depolymerization, functional olefins, Metathesis, Recycling, Value-added products}, issn = {1060-1325}, doi = {10.1080/10601325.2025.2533794}, author = {Khopade, K. V. and Bodkhe, D. V. and Chikkali, S. H.} } @article {49920, title = {Water-driven modulation of multiresponsive properties in acylhydrazone-based crystals}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {AUG}, pages = {12139-12142}, type = {Article}, abstract = {

A pyrene-substituted acylhydrazone (PyAc) crystal undergoes a water-driven transition from elasticity to thermoplastic bending. The hydrated crystal remains two-dimensional (2D) elastic until heating, after which it becomes brittle and bent upon dehydration. While the hydrated crystal is non-photoresponsive, the anhydrous form exhibits photomechanical bending due to favorable E-Z photoisomerization. These distinct properties, governed by solvent channels, molecular packing, and non-covalent interactions, demonstrate PyAc{\textquoteright}s potential for smart actuators and photoswitchable devices.

}, issn = {1359-7345}, doi = {10.1039/d5cc01375e}, author = {Manoharan, Deepak and Bhowmik, Aritra and Mishra, Manish Kumar and Ghosh, Soumyajit} } @article {49927, title = {X-ray fluorescence-based spray-on {\textquoteleft}{\textquoteleft}elemental barcodes{\textquoteright}{\textquoteright}}, journal = {Advanced Materials Technologies}, volume = {10}, year = {2025}, month = {JUL}, pages = {2401687}, type = {Article}, abstract = {

A novel spray-on elemental barcode technology is reported for the secure, permanent, and tamper-proof identification of polymeric and fiber-reinforced composite materials. This system utilizes the in situ reduction of metal salts to nanoparticles embedded within a polymer matrix, creating a unique barcode that is detectable through X-ray fluorescence (XRF). The barcode{\textquoteright}s composition is based on the metallic nanoparticle mixture and offers a semi-quantitative, non-destructive, and thermally stable method for material authentication. The process is straightforward, involving the manual application of metal salt solutions followed by mild heating, ensuring no significant alteration to the material{\textquoteright}s properties. The barcodes can be read through protective coatings or paints and are robust even under extreme conditions, such as high temperatures. This low-cost method does not introduce additional manufacturing steps and demonstrates significant potential for anti-counterfeiting and lifecycle tracking in various industries. Moreover, with an information density of up to 12 bits mm-1, this elemental barcode significantly surpasses the data storage capabilities of traditional optical barcodes. This approach holds promise for broad substrate applicability and can be expanded to other metals and reduction protocols, making it versatile for diverse material applications.

}, keywords = {authentication, barcoding, embedded nanoparticles, epoxy thermosets, fiber-reinforced composite, in situ reduction}, issn = {2365-709X}, doi = {10.1002/admt.202401687}, author = {Pansare, Amol V. and Terrasi, Giovanni P. and Pansare, Shubham V. and Khairkar, Shyam and Shedge, Amol A. and Zote, Santosh W. and Chhatre, Shraddha and Barbezat, Michael and Patil, Vishwanath R. and Nagarkar, Amit A.} } @article {49963, title = {Zincke-derived viologen covalent organic framework as a high-performance cathode for aqueous zinc-iodine batteries}, journal = {Small}, volume = {21}, year = {2025}, month = {DEC }, type = {Article}, abstract = {

Aqueous zinc-iodine (Zn-I2) batteries are among the most promising energy storage technologies, offering high energy density, low cost, and intrinsic safety. However, their practical deployment is hindered by the polyiodide shuttle effect, leading to rapid capacity fading and poor cycling performance. This work demonstrates the application of a crystalline viologen-based covalent organic framework (TAB-DNP-BP COF), synthesized via a one-pot Zincke reaction, as an efficient iodine host material. The cationic backbone of the TAB-DNP-BP COF effectively confines iodine (I2) species and electrostatically traps polyiodides, suppressing their migration and protecting the zinc anode. Zinc-iodine batteries assembled with an I2-enriched TAB-DNP-BP COF (TAB-DNP-BP COF@I2) cathode deliver a high specific capacity of 337 mAh g-1 at 0.5 C, surpassing the performance of most reported COF-, MOF-, and cage-based systems, while exhibiting excellent cycling stability over 5000 cycles. This work highlights the potential of ionic COFs for stabilizing iodine chemistry and offers a promising strategy toward the development of high-performance, durable aqueous Zn-I2 batteries.

}, keywords = {iCOF, iodine confinement, viologen, zinc-iodine batteries, Zincke reaction}, issn = {1613-6810}, doi = {10.1002/smll.202506012}, author = {Das, Gobinda and Shivade, Rajkiran and Pandey, Priyanshi and Varghese, Sabu and Rajput, Nitul and Matouk, Zineb and Martinez, Jose Ignacio and Straubinger, Rainer and Benyettou, Farah and Gandara, Felipe and Olson, Mark A. and Aouad, Samer and Shelke, Manjusha V. and Trabolsi, Ali} } @article {49700, title = {Zn(ii)-metallo-photoantibiotics: experimental and computational approach identifying a therapeutic role for antibacterial and antibiofilm applications}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {JUL}, type = {Article}, abstract = {

The antibacterial profiles of curcumin-based novel Zn(ii)-metallo-photoantibiotics against E. coli and B. subtilis are reported. In silico studies indicated their ROS generation capacity and binding interaction with bacterial proteins. Therapeutic results indicated the advantages of these Zn(ii)-metallo-photoantibiotics in antibacterial photodynamic therapy.

}, issn = {1359-7345}, doi = {10.1039/d5cc02340h}, author = {Kushwaha, Rajesh and Kumari, Sangeeta and Mishra, Arya and Upadhyay, Anjali and Rai, Archana and Nayak, Malay and Mukherjee, Sudip and Banerjee, Samya} } @article {50055, title = {CO2, N2 and H2 adsorption in Zn2+-containing zeolites and metal-organic frameworks}, journal = {Physical Chemistry Chemical Physics}, volume = {28}, year = {2026}, month = {FEB}, pages = {5161-5174}, type = {Article}, abstract = {

We employ a chemically accurate (+/- 4 kJ mol-1) embedding approach to calculate enthalpies for CO2, N2, and H2 adsorption in the Zn2+-containing zeolites FAU and CHA, and for CO2 and H2 in the metal-organic frameworks (MOFs) Zn-MOF-74 and CALF-20. Using MP2 as the high-level method and PBE+D4 as the periodic low-level method (MP2:PBE+D4), we obtain CO2 adsorption enthalpies of -46, -34, and -36 kJ mol-1 for Zn-CHA, Zn-MOF-74, and CALF-20, respectively, all within chemical accuracy limits of the experimental values of -42, -30, and -39 kJ mol-1. For CO2 in Zn-FAU, where no experimental data exist, we provide an MP2:PBE+D4 prediction of -49 kJ mol-1. For N2, we predict MP2:PBE+D4 adsorption enthalpies of -41 and -39 kJ mol-1 in Zn-CHA and Zn-FAU, respectively. CO2 adsorption is stronger in the zeolites than in the studied MOFs. Across all systems, CO2 adsorption tends to be stronger than N2 adsorption and both are largely favoured over H2. We observe inconsistent accuracy of PBE+D4 for the two MOFs, despite their similar characteristics, underscoring the need for high-level approaches in predictive screening. Additionally, we conclude that Zn2+ cations with open coordination sites act as the primary binding sites and that these cations preferentially occupy 6-membered rings in zeolites.

}, issn = {1463-9076}, doi = {10.1039/d5cp04169d}, author = {Samal, Pragnya Paramita and Berger, Fabian and Krishnamurty, Sailaja and Sauer, Joachim} } @article {50057, title = {Direct conversion of methane to formic acid over Au-Fe-NaZSM-5 at ambient pressure using H2O2}, journal = {Catalysis Science \& Technology}, volume = {16}, year = {2026}, month = {MAR}, pages = {1797-1805}, type = {Article}, abstract = {

Direct conversion of methane to value-added products is a long-standing challenge. This report presents the one-step conversion of methane to oxygenates using H2O2 as an oxidant over an Au and Fe supported on NaZSM-5 (0.1Au0.1FeNZ) catalyst, which produces 4264 mu mol of oxygenates with 89\% selectivity toward formic acid at 10 bar and 60 degrees C within 30 min in a batch process. The catalyst also produces 26.5 mu mol of oxygenates with 70\% selectivity for formic acid at atmospheric pressure and 80 degrees C in a continuous flow process over 9 h of reaction time, making it the first report of such a process. The synergistic interaction of Au and Fe, with the crucial role of Na ions in the zeolite framework in driving the reaction, is revealed through various characterization tools like TEM, XPS, and XAS. Theoretical studies elucidate the active sites responsible for lowering the activation barrier for the crucial C-H activation step. Thus, the catalyst enables the conversion of methane into formic acid with high activity and selectivity, offering new possibilities for harnessing this potent greenhouse gas under process-friendly conditions that were previously unexplored.

}, issn = {2044-4753}, doi = {10.1039/d5cy01422k}, author = {Kumar, Pawan and Ahangar, Iqra and Kesarwani, Srishti and Urkude, Rajashri and Patil, Nita A. R. and Niphadkar, Prashant and Bokade, Vijay V. and Haider, M. Ali and Vinod, C. P.} } @article {50016, title = {High-performance sultone-modified PVA/PAMPS semi-IPN hydrogels for proton exchange membranes}, journal = {Journal of Applied Polymer Science}, volume = {143}, year = {2026}, month = {APR}, type = {Article}, abstract = {

Hydrogel membranes composed of poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PAMPS) and sultone-modified poly(vinyl alcohol) (PVA) were successfully synthesized and evaluated as promising proton-conducting materials. A key advantage involves the premodification of PVA with 1,3-propane sultone to introduce sulfonic acid groups, thereby imparting proton conductivity to the PVA backbone. This sultone-modified PVA was then physically entangled within a PAMPS cross-linked network to form novel semi-interpenetrating network (semi-IPN) hydrogels. This synergistic design leverages the excellent film-forming and mechanical properties of PVA with the high proton conductivity inherent to PAMPS. The synthesized membranes exhibited robust mechanical properties, with tensile strengths ranging from 5 to 30 MPa and percentage elongations between 200\% and 400\%, depending on their humidity content. These hydrogel membranes demonstrated proton conductivities ranging from 0.6 to 4.3 x 10-2 S cm-1. The activation energy for proton conduction was found to be as low as 3.5 kJ mol-1, significantly lower than that of the commercial benchmark membrane, Nafion 117 (12 kJ mol-1). These findings underscore the potential of these novel PAMPS/sultone-modified PVA semi-IPN hydrogel membranes for advanced fuel cell applications.

}, keywords = {batteries and fuel cells, functionalization of polymers, Gels, membranes, polyelectrolytes}, issn = {0021-8995}, doi = {10.1002/app.70462}, author = {Patwadkar, Manjusha V. and Illathvalappil, Rajith and Torris, Arun and Francis, Sifa C. and Kurungot, Sreekumar and Badiger, Manohar V.} } @article {49864, title = {Insight Into the Influence of Salinity on Flow and Flocculation Behavior of Acrylamide-Based Cationic Polyelectrolyte}, journal = {Journal of Applied Polymer Science}, volume = {143}, year = {2026}, month = {MAR}, type = {Article}, abstract = {

The viscometric behavior of aqueous solutions of acrylamide and acrylamidopropyl trimethylammonium chloride copolymers (AM-co-APTMAC) with varying cationic content under different salinity conditions was studied. Viscometric measurements were employed to determine intrinsic viscosity and quantify the influence of electrostatic interactions on chain conformation. Rheology experiments were performed to probe dynamic flow behavior under shear to obtain insights into polyelectrolyte viscoelastic properties under conditions mimicking industrial processes. Viscometric and rheology data analysis is augmented with insights from NMR relaxation and pulsed field gradient NMR diffusion experiments. Further, flocculation of kaolin suspensions was studied using aqueous solutions of AM-co-APTMAC copolymers with different charge fractions in the presence and absence of salt. The physicochemical insights on the behavior of AM-co-APTMAC polyelectrolytes in solution from this study could be relevant in practical applications, such as plants that use seawater or in cases where the ionic strength of suspensions is high due to salinity in the medium.

}, keywords = {copolymers, polyelectrolytes, structure property relationships, theory and modeling}, issn = {0021-8995}, doi = {10.1002/app.70219}, author = {Ranganath, Suresha P. and Kurian, Rachna and Torris, Arun and Khairnar, Ajay and Ravindranathan, Sapna and Rajamohanan, P. R. and Badiger, Manohar V. and Wolf, Bernhard A.} } @article {50047, title = {Integrative transcriptomics and metabolomics reveal distinct metabolic reprogramming in luminal and triple-negative breast cancer cells}, journal = {Molecular Omics}, volume = {22}, year = {2026}, month = {JAN}, pages = {aaiaf003}, type = {Article}, abstract = {

Breast cancer subtypes exhibit significant molecular and metabolic heterogeneity, influencing their aggressiveness and therapeutic responses. Among them, triple-negative breast cancer (TNBC) is highly aggressive and often resistant to conventional therapies. To investigate the metabolic programming of this aggressiveness, we conducted an integrated transcriptomics and metabolomics analysis comparing the MCF-7 (luminal A, ER+/PR+) and MDA-MB-231 (TNBC) breast cancer cell lines. Transcriptome analysis of MCF-7 and MDA-MB-231 revealed the differential expression of genes involved in key metabolic pathways. Metabolomics data, further corroborated by transcriptomics, suggest pathway enrichment in beta-alanine, histidine, glutathione, nucleotide metabolism, and the tricarboxylic acid cycle. MDA-MB-231 cells displayed a metabolically aggressive phenotype with enhanced oxidative phosphorylation, redox adaptation, and nucleotide turnover. In contrast, MCF-7 cells showed a more regulated amino acid and redox metabolism profile. The integration of transcriptomic and metabolite profiles highlighted potential metabolic vulnerabilities in TNBC, offering insights into subtype-specific differences at the molecular level.

}, doi = {10.1093/momics/aaiaf003}, author = {Ranawade, Preeti and Sonwane, Babasaheb and Bose, Ganesh and Jadhav, Revati and Joshi, Rakesh and Mittal, Smriti} } @article {50034, title = {Mechanistic insights in the role of trehalose transporter in metabolic homeostasis in response to dietary trehalose}, journal = {G3-Genes Genomes Genetics}, volume = {16}, year = {2026}, month = {FEB}, pages = {jkaf303}, type = {Article}, abstract = {

Trehalose is the major sugar in insect hemolymph and plays a diverse role. Its level is regulated by the dynamics of biosynthesis and distribution by sugar transporters. The metabolic balance between trehalose synthesis and uptake remains poorly understood, despite its critical role in homeostasis. Here, we examined the role of the putative gut-specific sugar transporter, HaST46, in regulating trehalose levels in Helicoverpa armigera, a model Lepidopteran pest. Analysis of publicly available transcriptomics, proteomics data, and qRT-PCR study suggests that HaST46 showed localization in the posterior midgut and its expression alters in response to dietary contents. The liquid chromatography-mass spectrometry (LC-MS) analysis of HaST46 overexpressing Sf9 cells indicated that trehalose transport is preferred over glucose. HaST46 expression was found to be modulated tissue-specific manner in response to dietary trehalose availability. Furthermore, trehalose synthesis genes were found to be downregulated in the case of a 50 mM trehalose diet. This suggests that a potential increase in exogenous trehalose uptake may attenuate its endogenous synthesis. HaST46 overexpression and silencing lead to altered trehalose levels in the insect, while also having impact on trehalose metabolizing enzymes. Overall, our findings reveal the role of gut predominant sugar transporter, HaST46, in metabolic fine-tuning between exogenous trehalose uptake and endogenous synthesis.

}, keywords = {gut, Helicoverpa armigera, Metabolism, sugar uptake, transporters, trehalose}, issn = {2160-1836}, doi = {10.1093/g3journal/jkaf303}, author = {Chaudhari, Bhagyashri Y. and Nichit, Vikram J. and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {50020, title = {Metal films from a single source and their application in nanoporous filtration synthesis, electromagnetic interference shielding, and electroadhesion}, journal = {ACS Omega}, volume = {11}, year = {2026}, month = {MAR}, pages = {14203-14211}, type = {Article}, abstract = {

Electroless metal depositions are carried out by a series of reduction steps involving multiple metal ions to obtain a film on synthetic and natural substrates. Herein, we report the use of metal ions from a single element to deposit metal films on various substrates. In a typical metal deposition procedure, Pd2+ ions are anchored on a polycarbonate membrane with vertically aligned pores of 0.6 mu m, which was reduced to its nanoparticles by sodium borohydride. The Pd nanoparticle-modified membrane was then immersed in a Pd plating bath. The Pd2+ ions are reduced by the reducing agent present in the plating bath. The reaction is catalyzed by the Pd nanoparticles. The Pd-modified membrane with vertically aligned Pd tubes were used to convert p-nitrophenol to p-aminophenol, which is an important molecule in the production of acetaminophen. While filtering the reactants through the Pd tubes, due to increased collision between the reactants and the catalyst Pd tubes, 100\% conversion is achieved within 5 min. On the contrary, the conversion is only 10\% if the membrane is placed in a vessel comprising the reactants. Due to the versatile nature of the metal deposition procedure, nickel was deposited on cotton substrates by a similar procedure. The nickel film-coated cotton cloth showed an impressive electromagnetic shielding interference efficiency of -60 dB while the uncoated cotton cloth did not shield electromagnetic radiation. To demonstrate the versatility of the approach, Pd-coated synthetic polymeric substrates are used to electroadhere gels and gel-like substances. Nickel-coated substrates are not suitable for electroadhesion; hence, a conjugated polymer was deposited on the substrate to electroadhere gel-like substances.

}, issn = {2470-1343}, doi = {10.1021/acsomega.4c07730}, author = {Veerasubash, Muthupandi and Birajdar, Sarika Hanamant and Kika, Sharmin Percy and Senthilkumaran, Marimuthu and Deshpande, Karan and Shevate, Rahul and Krishnamoorthy, Kothandam} } @article {50052, title = {Methoxy substituted furan chalcones: an insight into anti-inflammatory, antioxidant, antidiabetic, antibacterial, and molecular docking studies}, journal = {ChemistrySelect}, volume = {11}, year = {2026}, month = {MAR}, pages = {e05798}, type = {Article}, abstract = {

A series of methoxy-substituted furan-based chalcones (5a-m) were synthesized, characterized, and evaluated for in vitro anti-inflammatory, antioxidant, antidiabetic, and antibacterial activities. Among the series, compounds 5l, 5j, 5h, 5a, 5g, 5f, 5c, 5k, and 5e showed remarkable anti-inflammatory activity when compared to diclofenac sodium. The compounds 5k, 5e, 5m, 5h, and 5l showed outstanding activity in the DPPH free radical scavenging experiment, along with remarkable ferric ion reducing power activity in comparison to standard ascorbic acid. Compounds 5l, 5m, and 5g demonstrated significant alpha amylase inhibitory activity, comparable to that of the standard drug Acarbose, suggesting their potential as effective antidiabetic agents along with a good antibacterial profile against S. aureus and E. coli. The molecular docking studies revealed that compounds 5f and 5c showed the best docking profiles with BSA, while 5l and 5m demonstrated superior binding characteristics with amylase, highlighting their potential as promising bioactive candidates.

}, keywords = {Anti-inflammatory, Antibacterial, antidiabetic, Antioxidant, methoxy substituted furan chalcones, Molecular docking}, issn = {2365-6549}, doi = {10.1002/slct.202505798}, author = {Ghorpade, Sujay A. and Kulkarni, Arati S. and Dandge, Padma B. and Chaugule, Hanmant N. and Ingle, Snehal S. and Bavi, Rohit S. and Bhosale, Raghunath B. and Peerzade, Nargisbano A. and Zaki, Magdi E. A. and Masand, Vijay H. and Patil, Nita R. and Jadhav, Shravan Y.} } @article {50038, title = {Morphological characteristics of antennal microstructure and its ecological significance in xanthopimpla pedator (hymenoptera: ichneumonidae: pimplinae): insights into cocoon-concealed host detection}, journal = {Microscopy and Microanalysis}, volume = {32}, year = {2026}, month = {FEB}, pages = {ozag006}, type = {Article}, abstract = {

Xanthopimpla pedator (Fabricius) (Hymenoptera: Ichneumonidae: Pimplinae) is a specialist solitary pupal endoparasitoid of the tropical Tasar silkworm, Antheraea mylitta (Drury) (Lepidoptera: Saturniidae), causing significant ecological and economic losses each year. Female oviposits into cocoon-concealed pupae of A. mylitta, where the developing larva consumes the host, ultimately killing it. During host searching, females rely on their antennae as the principal sensory organs to detect and evaluate host suitability, although sensory structures on the ovipositor may also contribute to oviposition decisions. Scanning electron microscopy (SEM) revealed nine distinct microstructure/sensilla types: trichodea, basiconica, chaetica, placodea, grooved peg sensilla, campaniformia, microtrichia, B \& ouml;hm{\textquoteright}s bristles, and glandular pores, including their respective subtypes. Additional microstructures, such as apical pegs, cuticular pores, and cuticular folds, were also observed. Sensilla trichodea were most abundant, followed by placodea, chaetica, and basiconica. Apical pegs at the antennal apex in both sexes are hypothesized to function in vibrational sounding during antennal tapping. Minimal sexual dimorphism in antennal sensilla was observed, limited to antennal length and flagellomere counts. These antennal features, including chemosensory and mechanosensory sensilla, are likely essential for host detection, discrimination, and oviposition, providing insights that could inform the development of semiochemical-based pest management tactics.

}, keywords = {antennal sensilla, endoparasitoid, host detection, scanning electron microscopy, tasar silkworm, ultrastructure}, issn = {1431-9276}, doi = {10.1093/mam/ozag006}, author = {Gathalkar, Ganesh B. and Sharma, V. Pooja and Barsagade, Deepak D.} } @article {49813, title = {One-pot tandem oxidative-wittig olefination of primary alcohols using spent battery material as a heterogeneous catalyst in green solvent GVL}, journal = {Catalysis Letters}, volume = {156}, year = {2026}, month = {JAN}, pages = {44}, type = {Article}, abstract = {

Extensive global utilization of dry cell batteries resulted in generation of huge amount of battery waste. Up-cycling of spent battery waste material as a heterogeneous catalyst is an emerging area of research. Cathode material from spent dry cell battery (Zinc-carbon) was isolated, acid leached and calcined to obtain BCM-2 which was used as a heterogeneous catalyst for one-pot tandem oxidative-Wittig olefination in \& upsih;-valerolactone (GVL) a bio-based green solvent at a temperature of 50 degrees C. Reaction was found to proceed smoothly using an economical catalyst and environment friendly conditions to get olefins in good yield up-to 74\%. The catalyst was found to be reusable for four cycles. The reaction was carried out two-steps in one pot using spent battery material as a catalyst in GVL as a solvent under mild reaction conditions and the applicability of catalyst was shown in 13 examples. The catalyst{\textquoteright}s effectiveness was also assessed in synthesis of (E)-3, 4 {\textquoteleft}, 5-trimethoxy-trans-stilbene, an intermediate for biologically active Resveratol.

}, keywords = {One-pot, Oxidation, Spent battery, Wittig olefination}, issn = {1011-372X}, doi = {10.1007/s10562-025-05283-3}, author = {Bankar, Shubham R. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {49814, title = {Orthogonally Engineered Redox-Active Polyimide-Carbon Nanotube Hybrids for Long-Life Lithium-Ion Battery Cathode}, journal = {Small}, volume = {22}, year = {2026}, month = {JAN}, type = {Article}, abstract = {

The diverse structural tunability and engineered electronic properties of organic polymers have sparked significant interest in their use as cathode materials for lithium-ion storage. Recent advances suggest that organic cathodes can serve as promising alternatives to conventional metal oxide counterparts due to their elemental abundance, safety, and high theoretical capacity. However, developing cathode materials that simultaneously exhibit high specific capacity, long cycle life, and excellent rate performance remains a critical challenge. In this study, the synthesis and application of a redox-active polyimide based on orthogonally positioned, active site-rich mellitic trianhydride (MTA) and naphthalene diimide (NDI), integrated with multi-walled carbon nanotubes (MWCNTs), referred to as MTA-NDI@CNT are reported. The pristine MTA-NDI polymer demonstrates a specific capacity of 60 mAh g-1 at a current density of 200 mA g-1 and exhibits remarkable cycling stability over 20 000 cycles. Upon hybridisation with CNT (10 wt.\%), the composite (MTA-NDI@CNT) delivers a nearly threefold enhancement in specific capacity, reaching 170 mAh g-1 at 500 mA g-1, along with stable cycling performance over 1300 cycles and 60.5\% capacity retention.

}, keywords = {cathode, CNT, lithium-ion battery, orthogonality, Polyimide}, issn = {1613-6810}, doi = {10.1002/smll.202509881}, author = {Thanasekar, Chandragopal and Javaregowda, Bharathkumar H. and Veer, Sairam Dnyaneshwar and Devasia, George and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Babu, Sukumaran Santhosh} } @article {50050, title = {Polysulfone-based polymer carbon dot membrane for optical dissolved oxygen sensing application}, journal = {Chemistry-An Asian Journal}, volume = {21}, year = {2026}, month = {MAR}, pages = {e70685}, type = {Article}, abstract = {

The precise monitoring of dissolved oxygen (DO) is essential across industrial, environmental, and biomedical applications. However, the state-of-the-art DO sensing methods often suffer from inherent limitations, which hinder their effectiveness for real-time and long-term DO monitoring. Optical DO sensing, despite its advantages, utilizes expensive metal complexes and is prone to photobleaching and slow response time. Here, we introduce a novel polymer carbon dot (PCD) as a promising candidate for lifetime-based optical DO sensing. The PCD is a metal-free, nontoxic, fluorescent, long decay-lifetime material that is synthesized through hydrothermal method. Our fluorescent PCD exhibits high emission quantum yield (24.32\%), long decay-lifetime (10.43 \& micro;s), and a linear response to DO concentrations ranging from 0.7 to 12.7 mg/L, with a Stern-Volmer constant of 0.1115. Further, to obtain better oxygen diffusion, high porosity, optical transparency, and high flexibility, PCD was embedded into a polysulfone matrix (PSF_PCD). The PSF_PCD membrane shows better results for the decay lifetime (9.4 \& micro;s), surface energy (40.26 mN/m), and average pore diameter of 5 nm. Hence, the obtained results demonstrate the applicability of the PCD in optical DO sensors for real-time and long-term monitoring of DO levels.

}, keywords = {decay lifetime, dissolved oxygen, Hydrothermal method, polymer carbon dots, polysulfone-based membrane}, issn = {1861-4728}, doi = {10.1002/asia.70685}, author = {Kadam, Rutuja and Hattale, Gangadhar and Virole, Vishal and Pal, Sanjivani and Abraham, Athira and Paul, Aditya and Kumar, Ajay and Shevate, Rahul and Banpurkar, Arun and Kanawade, Rajesh and Saha, Avishek} } @article {50031, title = {Reaction kinetics for dehydrogenation of decahydroquinoline to quinoline for hydrogen generation}, journal = {Chemical Engineering \& Technology}, volume = {49}, year = {2026}, month = {FEB}, pages = {e70177}, type = {Article}, abstract = {

Catalytic dehydrogenation of decahydroquinoline (DHQ) to quinoline is a promising pathway for hydrogen release in liquid organic hydrogen carrier systems. In this work, solvent-free DHQ dehydrogenation over Pd/Al2O3 is systematically investigated to evaluate hydrogen release performance and reaction kinetics. High DHQ conversion (83.9\%) and degree of dehydrogenation (82.7\%) are achieved at optimal reaction conditions. A power-law kinetic model based on a simplified reaction mechanism is developed and simulated using a Markov Chain Monte Carlo (MCMC) approach for estimation of rate constants and validation of concentration profiles with experimental data. The apparent activation energies are determined to be 45.85 kJ/mol for DHQ to 5,6,7,8-tetrahydroquinoline (bz-THQ) and 185.43 kJ/mol for bz-THQ to quinoline formation, identifying latter as the rate-limiting step. This framework provides mechanistic insight and supports the potential of DHQ as an efficient hydrogen carrier.

}, keywords = {Decahydroquinoline (DHQ), degree of dehydrogenation, Dehydrogenation, rate-limiting step, Reaction kinetics, Weisz-Prater criterion}, issn = {0930-7516}, doi = {10.1002/ceat.70177}, author = {Bagwan, Farahanaz M. and Dadkar, Sarthak S. and Kinage, Anil K. and Vasireddy, Satyam Naidu} } @article {49943, title = {Reversible twisting-induced crystalline-polycrystalline transformation in cyanoacrylate crystals}, journal = {Chemical Communications}, volume = {62}, year = {2026}, month = {JAN }, pages = {264-267}, type = {Article}, abstract = {

We report cyanoacrylate-based organic crystalline materials that exhibit reversible hand-induced helical twisting through the combined action of 1D elasticity and 2D plasticity. These crystals twist and untwist without lattice damage, retaining their elastic integrity through pi slip-stacking and Cl \& ctdot;Cl, C-H \& ctdot;Cl, and Me \& ctdot;Me interactions. Their unique integration of elastic recovery, plastic bending, and reversible twisting highlights their potential as mechanically adaptive materials for flexible and responsive devices.

}, issn = {1359-7345}, doi = {10.1039/d5cc05852j}, author = {Parthasarathy, Thiyagaraj and Bhowmik, Aritra and Bhattacharya, Biswajit and Mishra, Manish Kumar and Ghosh, Soumyajit} } @article {49835, title = {Self-healing hydrogel electrolyte enabled by dynamic polar covalent and noncovalent interactions for high-performance rechargeable zinc-metal batteries: a leap toward sustainable energy storage}, journal = {Advanced Energy Materials}, volume = {16}, year = {2026}, month = {JAN}, type = {Article}, abstract = {

Hydrogel polymer electrolytes with superior multifunctional properties are promising alternatives to aqueous electrolytes for resolving interfacial issues in rechargeable zinc-metal batteries. In this study, an intrinsic self-healing hydrogel polymer electrolyte (PHBC-4) is synthesized, engineered through an integrated approach involving the polar covalent (B \& horbar;O bond), hydrogen-bond (polyvinyl alcohol-hydroxypropyl methylcellulose interface), and coordination-type (Zn \& horbar;O) interactions to enable self-healing functionality. The PHBC-4 has demonstrated high ionic conductivity (4.6 x 10-2 S cm-1), good oxidative stability (2.3 V vs Zn|Zn2+), a high cation transference number (0.89), superior tensile strength (0.32 MPa), and an impressive healing efficiency of 93\% achieved just within 5 min, confirming its robust self-healing capability. In Zn||Zn symmetric cells, it effectively suppresses dendrite growth, ensuring stable cycling for over 1032 h with an areal capacity of 1.0 mAh cm-2 at a current density of 1.0 mA cm-2. When paired with a Zn-doped MnO cathode in the rechargeable homemade pouch cell, the system delivers a high specific capacity of 160 mAh g-1 at 0.10 A g-1 and cycling stability up to 493 charge-discharge cycles at 2.0 A g-1. The self-healing ability of PHBC-4 HGPE is confirmed in a homemade pouch cell via OCV and charge-discharge tests, demonstrating stable performance. The DFT studies confirm molecular-level interactions within the hydrogel heterostructure.

}, keywords = {dendrite inhibition, flexible rechargeable zinc metal battery, high cation transference number, self-healing hydrogel polymer electrolyte}, issn = {1614-6832}, doi = {10.1002/aenm.202502883}, author = {Puthiyaveetil, Priyanka Pandinhare and Kurian, Rachna Maria and Samudre, Nikhil S. and Balasubramanian, Rajalakshmi and Torris, Arun and Pockil, Fayis Kanheeram and Bhat, Suresh and Ajithkumar, T. G. and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {49958, title = {Structural characterisation, anticancer properties, and BSA binding of 2,6-dipyrazinylpyridines: Insights from experiment and theory}, journal = {Journal of Molecular Structure}, volume = {1351}, year = {2026}, month = {FEB }, pages = {144225}, type = {Article}, abstract = {

The phenyl-(2,6-di-2-pyrazinyl)pyridine derivatives (L1, L2) were synthesized using a one-pot Krohnke-type method, starting from 2-acetylpyrazine and substituted benzaldehydes. Their structures were characterized using a combination of spectroscopic (NMR, HRMS) and single-crystal X-ray diffraction techniques, complemented by density functional theory (DFT). Single-crystal X-ray diffraction reveals that L1 crystallizes in the C2/c space group (T = 296 K) with its supramolecular assembly being stabilized by C-H \& ctdot;N and pi-pi stacking interactions, whereas L2 facilitates C-H \& ctdot;N, N-H \& ctdot;pi bifurcated, and pi-pi* interactions. The bio-interaction properties of L1 were studied using fluorescence spectroscopy with bovine serum albumin (BSA) as a model protein. Fluorescence studies demonstrated L1 induces static quenching of BSA, with a binding constant of 5.15 x 104 mol \& sdot;dm-3. Synchronous and three-dimensional fluorescence spectra further demonstrated that L1 brings forth significant conformational changes in BSA. The compounds were evaluated for cytotoxicity against the HCT-116 human colorectal cancer cell line.

}, keywords = {2, 6-dipyrazinylpyridines, Bovine serum albumin interaction, Cytotoxicity (HCT-116 cells), Density functional theory, Halogenated derivatives, Single-crystal X-ray diffraction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.144225}, author = {Enumula, Sreenivasulu and Shaikh, Javed and Shaikh, Amin and Sheikh, Kounsar N. and Tambe, Pranav and Lande, Dipali N. and Gejji, Shridhar P. and Shaligram, Parth and Gonnade, Rajesh and Bhadbhade, Mohan and Ahmed, Khursheed} } @article {49811, title = {Synthesis of Core-Shell ETS-4@LSX zeolite composite to enhance CO2/N2 selectivity in flue gas separation}, journal = {Microporous and Mesoporous Materials}, volume = {399}, year = {2026}, month = {JAN }, pages = {113840}, type = {Article}, abstract = {

The selective removal of CO2 from the flue gas remains a quite challenging due to the weak selectivity of CO2/N2 in adsorbents. Therefore, it is necessary to design an effective sorbent to improve its selectivity. This work attempts to synthesis of novel core-shell ETS-4@LSX composite via a seed-assisted hydrothermal method. In this composite structure, a small pore titanosilcate ETS-4 as a core, while a large pore aluminosilicate LSX forms the outer shell. The effects of ETS-4 seed loading (1-5 wt.\%) and crystallization time on the formation and structural integrity of the core-shell architecture was systematically investigated. The structural and physicochemical properties of samples were characterized by XRD, FE-SEM, HR-TEM, EDS, FT-IR, TGA, N2 adsorption-desorption, and pore size distribution. From XRD pattern and FE-SEM results confirmed that the composite synthesized with 2 wt\% ETS-4 seed and 3 h crystallization time has pure phase of ETS-4@LSX structure. HR-TEM imaging revealed uniform growth of LSX over the ETS-4 surface, resulting in the formation of a continuous shell. The 2 wt\% ETS4@LSX composite demonstrated an outstanding CO2/N2 equilibrium selectivity of 81.4 at 1 bar and 303 K with five and seven times higher than that of pure LSX and ETS-4, respectively. At 20 bar, the composite achieved a CO2 uptake of 5.25 mmol g- 1 and an N2 uptake of 0.50 mmol g- 1. Dynamic adsorption study exhibited the 2 wt\% ETS-4@LSX has 3.52 mmol g- 1 CO2 sorption capacity and N2 uptake capacity of 0.26 mmol g- 1. The enhanced adsorption capacity and selectivity of ETS-4@LSX are attributed to its dual-pore structure, highlighting its potential as an effective adsorbent for CO2 capture from flue gas.

}, keywords = {Adsorption, Core-shell composite, Dual-pore structure, ETS-4, Flue gas, LSX}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2025.113840}, author = {Birje, Amit R. and Shrotri, Aadesh R. and Nandanwar, Sachin U.} } @article {49953, title = {Transition metal complexes of Thiadiazole-Picolinic acid: Crystal structures, DFT insights and anticancer activity}, journal = {Journal of Molecular Structure}, volume = {1354}, year = {2026}, month = {MAR 5}, pages = {144763}, type = {Article}, abstract = {

Five novel transition metal complexes [Ni(H2aeth)2(Pic)2] (1), [Co(H2aeth)2(Pic)2] (2), [Ni(H2aeth)2(Pic)(HPic)] ClO4 (3), [Co(H2aeth)2(Pic)(HPic)]ClO4 (4) and [Zn(H2aeth)2 (Pic)(HPic)]ClO4 (5) were synthesized using a 2amino-5-ethylthio-1,3,4-thiadiazole (H2aeth) and picolinic acid (HPic) as co-ligands. These complexes were characterized by FT-IR, UV-Vis., X-ray photoelectron spectroscopy, TG-DTA, and single-crystal X-ray techniques. Crystallographic analysis confirmed distorted octahedral geometries around the metal centers with extensive hydrogen bonding networks promoting supramolecular assembly in the solid state. X-ray photoelectron spectroscopy (XPS), validated the +2 oxidation state of each metal center. Thermal studies indicated multistep decomposition processes resulting in the formation of metal oxides. Density functional theory (DFT) and timedependent DFT calculations were employed to explore electronic structures and predict UV-Vis. transitions, which showed good agreement with experimental data. Frontier molecular orbital (FMO) analysis revealed that Ni(II) complexes 1 and 3 are softer and more reactive, consistent with their observed biological activity. The anticancer potential of complexes 1-5 was evaluated in vitro using the MCF-7 human breast cancer cell line and the MTT assay. Complex 1 exhibited the strongest cytotoxicity (IC50 = 26.5 mu g/mL) followed by complexes 3 (34.9 mu g/mL), 4 (46.4 mu g/mL), 2 (81.1 mu g/mL), and 5 (103.3 mu g/mL). The observed activity trends correlate with metal identity and coordination environment, underlining the role of electronic and structural factors in modulating bioactivity. These findings suggest that thiadiazole-picolinate metal complexes, particularly those based on Ni (II), are promising scaffolds for anticancer drug development.

}, keywords = {Anti-cancer activity, crystal structure, DFT calculation, MCF-7 cell line, Picolinic acid, Thiadiazole complexes}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.144763}, author = {Torambetov, Batirbay and Khojabaeva, Gulnaz and Bharty, M. K. and Gupta, Sushil K. and Kadirova, Shakhnoza and Pradeep, S. and Dastager, Syed G. and Gonnade, Rajesh G.} } @article {50019, title = {When facets meet impurities: Trace gas dominance over CO2 adsorption on ZnO}, journal = {Applied Surface Science}, volume = {729}, year = {2026}, month = {MAY}, pages = {166151}, type = {Article}, abstract = {

The catalytic hydrogenation of CO2 to methanol using Cu-ZnO/Al2O3 (CZA) is a key route for sustainable chemical production, when coupled with CO2-rich industrial off-gases. However, trace secondary gases, though present only at ppm levels, can poison active sites and suppress catalytic performance. In this work, we employ periodic density functional theory (DFT) to investigate interactions of H2S, SO2, NO2, NO, CO and CH4 with ZnO surfaces:(10(-)10), (10(-)11), (11(-)20), (10(-)13), and (11(-)22), and compared their adsorption pattern with CO2, the principle component of methanol synthesis. H2S dissociates on all the surfaces, SO2, and NO2 are chemisorbed, CH4 remains physisorbed, and NO, CO, and CO2 exhibit facet-dependent adsorption. Electronic structure analysis reveal that chemisorption occurs when surface energy states near the Fermi level overlap with HOMO of adsorbate, enabling charge transfer, whereas physisorption lacks such overlap. The adsorption strength follows the order: H2S SO2 NO2 NO CO CO2 CH4, suggesting that sulfur and nitrogen containing species exhibit strong chemisorption and compete with CO2 for active sites, potentially impacting the efficiency of methanol synthesis. These insights provide an atomic scale understanding of impurity-surface interactions and highlight potential role of ZnO as an efficient feed stock purifier for CO2-rich gas streams.

}, keywords = {CZA catalyst, flue gases, Valorization of CO2, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2026.166151}, author = {Bhati, Meema and Joshi, Kavita} }