@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.} } @article { ISI:000233685400030, title = {Analysis of a gas-liquid-liquid-solid catalytic reaction: kinetics and modeling of a semibatch slurry reactor}, 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 = {9586-9593}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hydrogenation of aniline to cyclohexylamine was studied in a gas-liquid-liquid-solid tetraphase system using cyclohexane and water as two immiscible liquid phases and ruthenium on alumina (2\% Ru/Al2O3) as the catalyst. In addition to the higher catalytic activity with respect to the conventional three-phase system, the novel four-phase system was highly efficient in catalyst-product separation. Experimental data on concentration-time as well as hydrogen-consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and the partial pressure of hydrogen. A detailed analysis of gas-liquid, liquid-liquid, liquid-solid, and intraparticle mass transfer was carried out using initial rate data to ensure the kinetic regime. On the basis of these data, several rate equations were evaluated to select a kinetic model. The kinetic parameters were estimated over a temperature range of 378-418 K by fitting the integral batch reactor data. A rate model considering adsorption of hydrogen on the catalyst surface followed by reaction with the liquid-phase components as the rate-limiting step was found to give the best fitting of the experimental concentration-time as well as the hydrogen-consumption-time data at different initial sets of reaction conditions. The activation energies, heat of adsorption, and entropy of adsorption were also evaluated.

}, issn = {0888-5885}, doi = {10.1021/ie0502739}, author = {Roy, D. and Chaudhari, Raghunath 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: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:000230685200006, title = {Biphenyl hydrogenation over supported transition metal catalysts under supercritical carbon dioxide solvent}, journal = {Applied Catalysis A - General}, volume = {288}, number = {1-2}, year = {2005}, month = {JUL}, pages = {43-47}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Catalytic hydrogenation of biphenyl to bicyclohexyl, an organic hydrogen storage medium, was examined over supported transition metal catalysts in supercritical carbon dioxide solvent. The yield of bicyclohexyl was almost 100\% over the charcoal-supported rhodium (Rh/C) and ruthenium (Ru/C) catalysts at the temperature of 323 K, which was much lower than that required for biphenyl hydrogenation in organic solvents (573 K). The initial activity was higher over the Rh/C catalyst, while the initial selectivity to bicyclohexyl was higher over the Ru/C catalyst. The conversion of biphenyl increased with increase in hydrogen and carbon dioxide pressures, while the selectivity to bicyclohexyl was independent of hydrogen and carbon dioxide pressures over both catalysts. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {bicyclohexyl, biphenyl, charcoal-supported rhodium catalyst, charcoal-supported ruthenium catalyst, Hydrogen storage, Hydrogenation, Supercritical carbon dioxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.04.021}, author = {Hiyoshi, Norihito and Rode, C. V. and Sato, O. and Shirai, M.} } @article { ISI:000232166800055, title = {Carbohydrate-based approach for the total synthesis of 1,3-polyol/alpha-pyrone antifungal natural products}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {20}, year = {2005}, month = {SEP}, pages = {8216-8219}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {D-Glucose, double elimination, Horner-Wadsworth-Emmons reaction, lactonization, strictifolione, Yamaguchi protocol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.04.031}, author = {Ramana, C. V. and Raghupathi, N. and Gurjar, M. K. and Chorghade, Mukund S.} } @article { ISI:000227421800005, title = {Cataloguing Indian biota - Response}, journal = {Current Science}, volume = {88}, number = {4}, year = {2005}, month = {FEB}, pages = {532-533}, publisher = {CURRENT SCIENCE ASSN}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Chavan, V. and Watve, A. V. and Rane, N. S. and Krishnan, S.} } @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:000228604800045, title = {Characterization of gas-liquid flows in stirred vessels using pressure and torque fluctuations}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {9}, year = {2005}, month = {APR}, pages = {3298-3311}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Gas-liquid flows in a stirred vessel exhibit different flow regimes and demonstrate complex interaction of transport processes with varying spatio-temporal scales. The knowledge of key space and time scales of fluid dynamics is important for designing and enhancing the performance of gas-liquid stirred reactor. The present study uses simple, robust, and nonintrusive experimental techniques (torque and pressure sensors) to characterize the fluid dynamics in a gas-liquid stirred vessel. Time series obtained from the pressure and torque sensors were analyzed to develop criteria for flow regime identification. Further analyses of torque and pressure time series were done to extract valuable information of different time scales of fluid dynamics. The detailed analysis of torque and wall pressure fluctuations provided not only an insight into the fluid dynamics but also a possible opportunity to on-line monitoring of gas-liquid flows in stirred vessel.

}, issn = {0888-5885}, doi = {10.1021/ie0493412}, author = {Khopkar, A. R. and Panaskar, S. S. and Pandit, A. B. and Ranade, V. 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: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:000230122100001, title = {CO2 activation and synthesis of cyclic carbonates and alkyl/aryl carbamates over adenine-modified Ti-SBA-15 solid catalysts}, journal = {Journal of Catalysis}, volume = {233}, number = {1}, year = {2005}, month = {JUL}, pages = {1-15}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Cyclic carbonates were synthesized by the cycloaddition Of CO2 to epoxides (epichlorohydrin, propene oxide, and styrene oxide), and carbamates were synthesized by reaction of alkyl or aryl amines, CO2, and n-butyl bromide. Solvents and cocatalysts/promoters, like N,N-dimethylaminopyridine (DMAP) and quaternary ammonium salts, which are usually essential with conventional catalyst systems, could be avoided with the use of adenine-modi lied Ti-SBA-15 catalysts. The catalysts were reused in several recycle experiments. The structural and textural properties of the catalysts were determined by X-ray diffraction (XRD), transmission electron microscopy (TEM), N-2 adsorption, and Fourier transform infrared (FTIR) and diffuse reflectance ultraviolet-visible (UV-vis DRS) techniques. Acid-base properties of the solid catalysts were investigated by temperature-programmed desorption (TPD) of NH3 and CO2 and DRIFTIR spectroscopy of adsorbed pyridine and CO2 techniques. The studies reveal that the Ti4+ ions increase catalytic activity by enhancing the adsorption of the epoxide and alkyl or aryl amine substrates. CO2 molecules are activated at the basic nitrogen groups of adenine. Increasing the surface concentrations of either CO2 (by anchoring basic molecules like adenine or increasing the partial pressure of CO2) or epoxides and alkyl or aryl amines (by increasing the concentration of Lewis acidic Ti4+ ions) enhances the catalytic activity. CO2 molecules activated at the covalently anchored adenine sites react with epoxide/amines adsorbed on the silica surface to form carbonates/carbamates. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {activation of CO2, CO2 fixation, DRIFTIR spectroscopy of adsorbed pyridine and CO2, organo-functionalized mesoporous silica, phosgene-free synthesis, synthesis of carbamates, synthesis of cyclic carbonates, temperature-programmed desorption of NH3 and CO2 titanosilicates, Ti-SBA-15}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.03.023}, author = {Srivastava, R and Srinivas, D and Ratnasamy, P} } @article { ISI:000226743800002, title = {Computational study of a single-phase flow in packed beds of spheres}, journal = {AICHE Journal}, volume = {51}, number = {2}, year = {2005}, month = {FEB}, pages = {365-378}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {CFD, drag, heat transfer, packed bed, packing arrangement}, issn = {0001-1541}, doi = {10.1002/aic.10314}, author = {Gunjal, P. R. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000226804000015, title = {Controlling the optical properties of lemongrass extract synthesized gold nanotriangles and potential application in infrared-absorbing optical coatings}, journal = {Chemistry of Materials}, volume = {17}, number = {3}, year = {2005}, month = {FEB}, pages = {566-572}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Anisotropic metal nanoparticles have distinct optical behavior when compared with their spherical counterparts. In this report, we demonstrate a simple method involving the reduction of aqueous gold ions by the extract of the lemongrass plant leading to the formation of gold nanotriangles with interesting absorption in the near-infrared (NIR) region of the electromagnetic spectrum. We show that, by simple variation of the experimental conditions, it is possible to vary the size of the gold nanotriangles and, thus, to tune the absorbance of flat gold nanoparticles in the NIR region. The NIR absorption of the gold nanotriangles is expected to be of application in hyperthermia of cancer cells and in IR-absorbing optical coatings. We show that the lemongrass extract synthesized gold nanotriangles can be easily cast in the form of films on glass substrates and that these films are highly efficient in absorbing IR radiation for potential architectural applications.

}, issn = {0897-4756}, doi = {10.1021/cm048292g}, author = {Shankar, S. S. and Rai, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000228898600009, title = {Co-precipitation method for the preparation of ferroelectric CaBi4Ti4O15}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {16}, number = {4}, year = {2005}, month = {APR}, pages = {229-231}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

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

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

}, keywords = {Ceramics, Chemical synthesis, electronic materials, ferroelectricity, Oxides}, issn = {1385-3449}, doi = {10.1007/s10832-005-6588-y}, author = {Gaikwad, S. P. and Dhage, S. R. and Potdar, H. S. and Samuel, V. and Ravi, V.} } @article { ISI:000227447800012, title = {Coprecipitation technique to prepare BaNb2O6}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {117}, number = {2}, year = {2005}, month = {MAR}, pages = {169-171}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A mixture of ammonium oxalate and ammonium hydroxide was used to coprecipitate barium and niobium ions as barium oxalate and niobium hydroxide under basic conditions. This precursor on calcination at 750degreesC yielded BaNb2O6 ceramics. This is a much lower temperature as compared to that prepared by traditional solid-state method (1000degreesC), as reported for the formation of BaNb2O6. Transmission electron microscope (TEM) investigations revealed that the average particle size is 100 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 1100. The ferroelectric hysteresis loop parameters of these samples were also studied. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Ammonia, Ceramics, Electron microscopy, niobium oxide, Oxides}, issn = {0921-5107}, doi = {10.1016/j.mseb.2004.11.009}, author = {Natarajan, N and Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000230160700011, title = {Coprecipitation technique to prepare SrNb2O6}, journal = {Materials Characterization}, volume = {55}, number = {1}, year = {2005}, month = {JUL}, pages = {92-95}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

A mixture of ammonium oxalate and ammonium hydroxide was used to co-precipitate strontium and niobium ions as strontium oxalate and niobium hydroxide under basic conditions. This precursor yielded SrNb2O6 ceramics on calcining at 650 degrees C. This is a much lower temperature compared to preparation of SrNb2O6 by the traditional solid state method (900 degrees C). Transmission electron microscopy (TEM) revealed that the average particle size is 100 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 550. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, ferroelectric, Oxides, X-ray methods}, issn = {1044-5803}, doi = {10.1016/j.matchar.2005.04.002}, author = {Ravi, V} } @article { ISI:000229811300003, title = {Coprecipitation technique to prepare ZnM2O6 powders}, journal = {Bulletin of Materials Science}, volume = {28}, number = {3}, year = {2005}, month = {JUN}, pages = {205-207}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A simple coprecipitation technique was successfully applied for the preparation of pure ultrafine single phase, ZnNb2O6 (ZN). Ammonium hydroxide was used to precipitate Zn2+ and Nb5+ cations as hydroxides simultaneously. This precursor on heating at 750 degrees, produced ZN powders. For comparison, ZN powders were also prepared by the traditional solid state method. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology were studied by transmission electron spectroscopy (TEM).

}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02711248}, author = {Deshpande, V. V. and Patil, M. M. and Navale, S. C. and Ravi, V.} } @article { ISI:000233391900008, title = {Design, syntheses, and characterization of new thermoplastic polyureas based on 3,4-ethylenedioxythiophene}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {23}, year = {2005}, month = {DEC}, pages = {5823-5830}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

New thermoplastic polyureas labeled PUn (n = 2, 3, 4, 6, 7, 9, or 10), based on 3,4-ethylenedioxythiophene (EDOT) with flexible aliphatic spacers, were synthesized and characterized for the first time. EDOT was chosen as a replacement for the aromatic phenyl group in conventional thermoplastics based on urea linkages to improve solubility without compromising the thermal properties. As synthesized, all the samples exhibited a semicrystalline nature. The glass-transition and melting temperatures showed a strong dependence on the spacer length. A comparison of the thermal properties of these polyureas with the corresponding phenyl analogues indicated that EDOT was a viable heteroatomic analogue of the phenyl group to be inserted into the main-chain polyureas without hampering their thermal stability. The polyureas with spacer lengths greater than hexamethylene formed transparent gels in N-methylpyrrolidone, 1,1,2,2-tetrachloroethane, and dimethyl sulfoxide. The molecular packing of the polyureas was assigned with wide-angle X-ray diffraction studies. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {3, 4-ethylenedioxythiophene, heteroaromatic polymers, Polyurea, polyurea gels, Thermogravimetric analysis (TGA), thermoplastics, WAXS}, issn = {0887-624X}, doi = {10.1002/pola.21065}, author = {Ojha, U. P. and Ramesh, C. and Kumar, Anil} } @article { ISI:000227299100006, title = {Destructive adsorption of methyl parathion over nanocrystalline MgO}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {44}, number = {2}, year = {2005}, month = {FEB}, pages = {251-255}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

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

}, issn = {0376-4710}, author = {Reddy, V. S. and RadheShyam, A. and Dwivedi, Reena and Gupta, R. K. and Chumbhale, Vilas R. and Prasad, R.} } @article { ISI: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:000227246800051, title = {Diastereoselective amidoalkylation of (3S,7aR)-6-benzyl-7-hydroxy-3-phenyltetra-hydro-5H-imidazo[1,5-c][1, 3]thiazol-5-one : a short and highly efficient synthesis of (+)-biotin}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {5}, year = {2005}, month = {MAR}, pages = {1901-1903}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A short and highly efficient synthesis of W-biotin in 10 steps with 20\% overall yield has been achieved from L-cysteine involving amidoalkylation of hydroxy imidazothiazolone 4 via an acyliminium ion intermediate to furnish C-7-substituted imidazothiazolones 5b as the key step.

}, issn = {0022-3263}, doi = {10.1021/jo0488107}, author = {Chavan, Subhash P. and Chittiboyina, A. G. and Ravindranathan, T. and Kamat, Subhash K. and Kalkote, Uttam R.} } @article { ISI:000226083500005, title = {Dynamics of drop impact on solid surface: experiments and VOF simulations}, journal = {AICHE Journal}, volume = {51}, number = {1}, year = {2005}, month = {JAN}, pages = {59-78}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {CFD, drop impact, recoiling, spreading, trickle bed, VOF}, issn = {0001-1541}, doi = {10.1002/aic.10300}, author = {Gunjal, P. R. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000228833300134, title = {(E)-1-(2-Hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-on e}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {61}, number = {5}, year = {2005}, month = {MAY}, pages = {O1323-O1325}, publisher = {BLACKWELL MUNKSGAARD}, type = {Article}, address = {1 ROSENORNS ALLE, DK-1970 FREDERIKSBERG C, DENMARK}, abstract = {

The title compound, C17H16O5, crystallizes with two independent molecules in the asymmetric unit. These are oriented approximately orthogonal to one another. The keto group adopts an s-cis conformation; the six-membered ring formed by the O-H\•\•\• O hydrogen bond and the adjacent benzene ring are approximately coplanar. In addition to an intramolecular O-H\•\•\• O hydrogen bond, intermolecular O-H\•\•\• O interactions link adjacent molecules into chains.

}, issn = {1600-5368}, doi = {10.1107/S1600536805010731}, author = {Krishna, J. R. and Kumar, N. J. and Krishnaiah, M. and Rao, C. V. and Rao, Y. K. and Puranik, Vedavati G.} } @article { ISI:000229127000022, title = {Effect of 2-(2-pyridyl)azole-based ancillary ligands (L1-4) on the electrophilicity of the nitrosyl function in [Ru-II(trpy)(L1-4)(NO)](3+) [trpy=2,2 {\textquoteleft}: 6 {\textquoteleft},2 {\textquoteleft}{\textquoteright}-terpyridine]. synthesis, structures, and spectroscopic, electrochemical, and kinetic aspects}, journal = {Inorganic Chemistry}, volume = {44}, number = {10}, year = {2005}, month = {MAY}, pages = {3499-3511}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ruthenium nitrosyl complexes [Ru(trpy)(L1-4)(NO)](3+) (13-16) [trpy = 2,2{\textquoteright}:6{\textquoteright},2"-terpyridine, L-1 = 2-(2-pyridyl)-benzoxazole, L-2 = 2-(2-pyridyl)benzthiazole, L-3 = 2-(2-pyridyl)benzimidazole, L-4 = 1-methyl-2-(2-pyridyl)-1H-benzimidazole] were obtained in a stepwise manner starting from [Ru-II(trpy)(L1-4) (Cl)]ClO4 (1-4) \→ [Ru-II(trpy)(L1-4) (H2O)](ClO4)(2) (5-8) \→ [Ru-II(trpy)(L1-4) (NO2)ClO4 (9-12) \→ [Ru-II(trpy)(L-1,L-2,L-4) (NO)](ClO4)(3) (13, 14, 16)/[Ru-II(trpy)(L-3) (NO)](Cl)(4))(2)(NO3) (15). Crystal structures of 1, 2, 4, 9, 12, 13, 15, and 16 established the stereoretentive nature of the transformation processes. Though the complexes of L1, L3, and L 4 were isolated in the isomeric form A (π-acceptor trpy and azole ring in the equatorial plane and the pyridine and chloride donors in the axial positions), complexes of L 2 preferentially stabilized in form B (trpy and pyridine in the equatorial plane and the azole ring and chloride donors in the axial positions). The v(NO) stretching frequency varied in the range of 1957-1932 cm(-1), 13 \&MGT; 14 \&MGT; 15 \> 16, primarily depending on the electronic aspects of L as well as the isomeric structural forms. The coordinated nitrosyl function underwent successive reductions of [Ru-II-NO+](3+) \→ [Ru-II-NO\•](2+) and [Ru-II-NO\•](2+) - [Ru-II-NO-](+), and the first reduction potential follows the order 14 \> 13 \&MGT; 15 \≈ 16. The nearly axial EPR spectra having nitrogen hyperfine splittings (A \≈ 26 G) at 77 K of 13(-)-16(-) with (g) \≈ 2.0 established that the reduction process is largely centered around the nitrosyl function. Despite an appreciably high v(NO), the complexes were found to be unusually stable even in the aqueous medium. They transformed slowly and only partially into the corresponding nitro derivatives in H2O (k \≈ 10(-4) s(-1) and K = 0.4-3.8). The chloro (1-4), aqua (5-8), and nitro (9-12) derivatives displayed reasonably strong emissions near 700 nm at 77 K (φ = 10(-1)-10(-2)). The aqua derivative 7 was found to interact with the calf thymus and the circular form of p-Bluescript SK DNA.

}, issn = {0020-1669}, doi = {10.1021/ic048184w}, author = {Chanda, N. and Paul, D. and Kar, S. and Mobin, Shaikh M. and Datta, Anindya and Puranik, Vedavati G. and Rao, K. K. and Lahiri, Goutam Kumar} } @article { ISI:000229181600012, title = {Effect of connectivity and terminal functionality on mesophase behaviour of thermotropic liquid crystals containing biphenyl units}, journal = {Liquid Crystals}, volume = {32}, number = {4}, year = {2005}, month = {APR}, pages = {499-512}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A series of 4,4{\textquoteright}-disubstituted biphenyls, designated as series HBC, in which, one substituent is an ester group linked directly to the ring and the other is the hydroxy-containing group O(CH2)(n)OH, have been prepared and analysed by differential scanning Calorimetry, polarizing optical microscopy and X-ray diffraction. The introduction of a trimethylene unit between the ester functional group and the biphenyl moiety of the HBC series gives rise to the HBB series, which did not exhibit liquid crystalline behaviour. Interestingly, mesophase behaviour could be restored by replacing the methylene group ( of the trimethylene unit) that was directly attached to the biphenyl ring by a keto group (HBOB series). When the terminal hydroxy group of these three series was substituted by a group such as acetoxy or hydrogen, the transition temperatures were reduced, and the disappearance of mesophase behaviour was observed in some cases. However, this could be recovered by the replacement of the ester group by a carboxylic acid group.

}, issn = {0267-8292}, doi = {10.1080/02678290500033802}, author = {Ranganathan, T. and Ramesh, C. and Kumar, Anil} } @article { ISI:000230122900010, title = {Effect of RuO2 in the shape selectivity of submicron-sized SnO2 structures}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {25}, year = {2005}, month = {JUN}, pages = {12297-12303}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Several dissimilar types of tin oxide microstructures including bipyramids, cubes, and wires synthesized effectively by means of a simple approach were investigated using X-ray diffraction (XRD), thermogravimetry/ differential thermometric analysis (TG-DTA), and X-ray photoelectron spectroscopy (XPS). A possible growth mechanism is proposed using the results of these studies. The texture coefficient values of all the structures, indexed to a tetragonal lattice, exhibit amazing variation in the preferred orientation with respect to their shapes. Although XPS data indicate that wires and cubes have a strong SnO2 type signal, bipyramids interestingly exhibit both SnO and SnO2 signals and a correlation of the binding energy helps in understanding the growth kinetics of such submicron structures. The. results suggest that the bipyramids are formed because of the vapor-solid process (VS) while wires and cubes are formed by the vapor-liquid-solid (VLS) progression.

}, issn = {1520-6106}, doi = {10.1021/jp044677a}, author = {Ramgir, N. S. and Mulla, Imtiaz S. and Vijayamohanan, K. P.} } @article { ISI:000227710300073, title = {Enhanced selectivity to decalin in naphthalene hydrogenation under supercritical carbon dioxide}, journal = {Chemistry Letters}, volume = {34}, number = {3}, year = {2005}, month = {MAR}, pages = {424-425}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

A charcoal-supported rhodium catalyst was highly active and selective to decalin for the hydrogenation of naphthalene at very low temperature (333 K) under supercritical carbon dioxide.

}, issn = {0366-7022}, doi = {10.1246/cl.2005.424}, author = {Hiyoshi, Norihito and Miura, R. and Rode, C. V. and Sato, O. and Shirai, M.} } @article { ISI:000233214300008, title = {Facile direct conversion of aldehydes to esters and amides using acetone cyanohydrin}, journal = {Tetrahedron Letters}, volume = {46}, number = {48}, year = {2005}, month = {NOV}, pages = {8303-8306}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Aromatic aldehydes with electron-withdrawing groups undergo rapid reactions with a variety of alcohols and secondary amines to afford the corresponding esters and amides, respectively, in high yields, when treated with NaCN or acetone cyanohydrin and base under ambient reaction conditions. In case of alpha,beta-unsaturated aldehydes, simultaneous reduction of the C=C bond along with esterification occurred to produce the saturated esters in high yields. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {amidation, esteritication, reduction, sodium cyanide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.09.173}, author = {Raj, I. V. P. and Sudalai, A.} } @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:000227158100004, title = {Formation of BaCrO4 nano crystallites within thermally evaporated sodium bis-2-ethylhexyl-sulfosuccinate and stearic acid thin films}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {1}, year = {2005}, month = {JAN}, pages = {24-27}, publisher = {AMER CERAMIC SOC}, type = {Article}, address = {735 CERAMIC PLACE, PO BOX 6136, WESTERVILLE, OH 43086-6136 USA}, abstract = {

This paper describes the growth of barium chromate (BaCrO4) nanocrystallites within thermally evaporated thin films of stearic acid (StA) and sodium bis-2-ethylhexyl-sulfosuccinate by a process of Ba2+ ion entrapment followed by in situ reaction CrO42- ions. Dense spherical assemblies of BaCrO4 nanocrystallites of very uniform size (similar to50 nm) were obtained within the two different host matrices. The spherical assemblies were composed of smaller (ca. 5-10 nm size) BaCrO4 crystals indicating that efficient size control over crystal size may be exercised by the matrix. Contact angle measurements of the BaCrO4-StA and BaCrO4-sodium bis-2-ethylhexyl-sulfosuccinate films indicated that they were hydrophobic, thus pointing to the possible role of hydrophobic interaction between the StA and sodium bis-2-ethylhexyl-sulfosuccinate monolayer-covered BaCrO4 crystals in the assembly process.

}, issn = {0002-7820}, doi = {10.1111/j..1551-2916}, author = {Rautaray, D. and Sinha, K. and Sainkar, S. R. and Pasricha, R. and Pavaskar, N. R. and Sastry, M.} } @article { ISI:000233789900025, title = {Free-standing nanogold membranes as supports for the growth of calcium phosphate crystals}, journal = {Biotechnology Progress}, volume = {21}, number = {6}, year = {2005}, month = {NOV}, pages = {1759-1767}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Current strategies for bone tissue regeneration focus on the development of implantable matrices that mimic biological tissues. Inorganic composites are of special interest for bone substitute applications. It is necessary to create an artificial three-dimensional scaffold-like porous material with certain geometrical structure to induce bone growth. We report here the growth of calcium phosphate crystals on free-standing carboxylic acid functionalized gold nanoparticle membranes. The gold nanoparticle membrane is synthesized by the spontaneous reduction of aqueous chloroaurate ions by a diamine molecule at a liquid-liquid interface. This membrane is robust and malleable, and most importantly, the gold nanoparticles in the membrane may be functionalized with suitable ligands. In this study, the amino acids aspartic acid and cysteine together with an aromatic bifunctional molecule, anthranilic acid, were used to modify the surface of the gold nanoparticles in the membrane. The free carboxylic acid groups on the gold nanoparticles further to functionalization with these molecules were then used to bind Ca2+ ions and reacted with phosphate ions to yield calcium phosphate. The nature of the nanogold surface modifier directed the formation of either crystalline hydroxyapatite or amorphous calcium phosphate. The nanogold membrane thus suggests potential biomedical application as biocompatible implants and grafts.

}, issn = {8756-7938}, doi = {10.1021/bp050144n}, author = {Rautaray, D and Sastry, M} } @article { ISI:000229066800041, title = {Functional copolymers of p-cumyl phenyl methacrylate and glycidyl methacrylate: synthesis, characterization, and reactivity ratios}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {1}, year = {2005}, month = {JUL}, pages = {336-347}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Free-radical polymerization of p-cumyl phenyl methacrylate (CPMA) was performed in benzene using bezoyl peroxide as an initiator at 80\° C. The effect of time on the molecular weight was studied. Functional copolymers of CPMA and glycidyl methacrylate (GMA) with different feed ratios were synthesized by free-radical polymerization in methyl ethyl ketone at 70\° C, and they were characterized by FTIR and H-1-NMR spectroscopy. The molecular weights and polydispersity indexes of the polymers and copolymers were determined by gel permeation chromatography. The copolymer composition was determined by H-1-NMR. The glass-transition temperature of the polymer and the copolymers was determined by differential scanning calorimetry. The reactivity ratios of the monomers were determined by the Fineman-Ross and Kelen-Tudos methods. {\textcopyright} 2005 Wiley Periodicals, Inc.

}, keywords = {copolymerization, functionalization of polymers, glass-transition, synthesis}, issn = {0021-8995}, doi = {10.1002/app.21732}, author = {Ratnaprabha, K. and Daliya, P. K.} } @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:000227864000011, title = {Gas-liquid flow generated by a Rushton turbine in stirred vessel: CARPT/CT measurements and CFD simulations}, journal = {Chemical Engineering Science}, volume = {60}, number = {8-9}, year = {2005}, note = {5th International Symposium on Mixing in Industrial Processes, Seville, SPAIN, JUN 01-04, 2004}, month = {APR}, pages = {2215-2229}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this work, computer-automated radioactive particle tracking (CARPT), computed tomography (CT) and computational fluid dynamic (CFD) based models were used to investigate gas-liquid flow generated by a Rushton turbine. CARPT and CT measurements were carried out in a gas-liquid stirred vessel operating in two different flow regimes and captured the quantitative Eulerian information of gas-liquid flow. The CARPT data was then used to extract the circulation tune distribution in a vessel. A two-fluid model along with the standard k-epsilon turbulence model was used to simulate the dispersed gas-liquid flow in a stirred vessel. Appropriate drag corrections to account for bulk turbulence (along the lines proposed by Brucato et al. (Chem. Eng. Sci. 45(1998) 3295)) were developed to correctly simulate different flow regimes. The computational snapshot approach was used to simulate impeller rotation and was implemented in the commercial CFD code, FLUENT4.5 (of Fluent. Inc., USA). Most model predictions compared favourably with CARPT and CT measurements. Validated CFD models as attempted in this paper are promising to simulation of industrial stirred vessels. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {CARPT, CFD, CT, gas-liquid flow, stirred vessel}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.11.044}, author = {Khopkar, A. R. and Rammohan, A. R. and Ranade, V. V. and Dudukovic, M. P.} } @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:000230828800038, title = {Hydrodynamics of trickle-bed reactors: experiments and CFD modeling}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {16}, year = {2005}, month = {AUG}, pages = {6278-6294}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie0491037}, author = {Gunjal, P. R. and Kashid, M. N. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000227629300008, title = {Illustration of HIV-1 protease folding through a molten-globule-like intermediate using an experimental model that implicates alpha-crystallin and calcium ions}, journal = {Biochemistry}, volume = {44}, number = {10}, year = {2005}, month = {MAR}, pages = {3725-3734}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The folding of HIV-1 protease to its active form involves the coordination of structure formation and dimerization, which follows a hierarchy consisting of folding nuclei spanning from the active site, hinge region, and dimerization domain. However, the biochemical characteristics of the folding intermediates of this protein remain to be elucidated. In an experimental model, the denaturation of the tethered dimer of HIV-1 protease by guanidine hydrochloride revealed an alternative conformation resembling the molten globule state. The molten-globule state binds to the molecular chaperone alpha-crystallin and prevents its aggregation; however, the chaperone alone failed to reconstitute HIV-1 protease into its active form. Calcium ion assisted in the release of active enzyme from the chaperone complex. alpha-crystallin, a member of the small heat-shock protein, assists proteins to fold correctly; however, the underlying principle of signals responsible for chaperone-mediated protein folding remains enigmatic. X-ray photoelectron spectroscopy has been employed to provide the evidence of calcium binding to alpha-crystallin and to decipher the effect of calcium binding on the chaperone-mediated refolding of HIV-1 protease. On the basis of our spectroscopic data, we propose that calcium ions interact with the carboxyl groups of the surface-exposed acidic amino acids of alpha-crystallin bringing electrostatic interference, which plays a pivotal role in inducing conformational changes in the chaperone responsible for the release of the active enzyme.

}, issn = {0006-2960}, doi = {10.1021/bi048378n}, author = {Dash, C and Sastry, M and Rao, M} } @conference { ISI:000230895600102, title = {Immobilized molybdovanadophosphoric acids on SBA-15 for selective oxidation of alkenes}, booktitle = {4th International Symposium on Nanoporous Materials}, series = {STUDIES IN SURFACE SCIENCE AND CATALYSIS}, volume = {156}, year = {2005}, note = {4th International Symposium on Nanoporous Materials, Niagara Falls, CANADA, JUN 07-10, 2005}, month = {JUN}, pages = {769-778}, publisher = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, address = { Niagara Falls, Canada}, abstract = {

Vanadium substituted molybdophosphoric acids have been immobilized on amine functionalized SBA-15 and characterized by different techniques. Small angle X-ray scattering analysis and SEM technique provide evidence for the structural integrity of the samples. UV-Vis, NMR and IR data confirm the incorporation of molybdovanadophosphoric acids onto the amine functionalized SBA-15. The textural properties of these materials were studied by nitrogen sorption studies. Oxidation of cyclooctene and norbornene was carried out with oxidants in aqueous (aq. H2O2) and non-aqueous (TBHP extracted in dichloroethane) medium. The reactions were carried out with both the neat catalysts (homogeneous) and the immobilized catalysts (heterogenized) and the results were compared. The selectivity of the desired products was always \> 99\% with the immobilized catalyst with both aq.H2O2 and TBHP. However, while the leaching was negligible in the non-aqueous medium, the aqueous medium leads to considerable leaching. The immobilized catalysts could be separated after the reaction and the reusability of the catalyst has also been demonstrated especially with oxidant in the nonaqueous medium.

}, isbn = {0-444-51748-0}, issn = {0167-2991}, author = {Raj, N. K. K. and Deshpande, S. S. and Ingle, Rohit H. and Raja, T. and Manikandan, Palanichamy}, editor = {Sayari, A. and Jaroniec, M.} } @article { ISI:000225953600006, title = {In situ polymerization of ethylene with bis(imino)pyridine iron(II) catalysts supported on clay: the synthesis and characterization of polyethylene-clay nanocomposites}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {2}, year = {2005}, month = {JAN}, pages = {304-318}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {clay, In situ polymerization, Nanocomposites, polyethylene (PE), TEM, WAXS}, issn = {0887-624X}, doi = {10.1002/pola.20502}, author = {Ray, S and Galgali, G and Lele, Arundhati C. and Sivaram, S} } @article { ISI:000233351600005, title = {IndCollections: biological specimens in Indian collections}, journal = {Current Science}, volume = {89}, number = {9}, year = {2005}, month = {NOV}, pages = {1454-1455}, publisher = {CURRENT SCIENCE ASSN}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Chavan, V. and Rane, N. S. and Ghate, H. V. and Krishnan, S.} } @article {42819, title = {India: apremier destination for outsourcing}, volume = {42}, year = {2005}, month = {JAN}, author = {Chorghade, Mukund S. and Chorghade, V. M. and Gurjar, Mukund K. and Ramana, Chepuri V. and Kamerkar, A. V. and Zafran, H. and Mashelkar, Raghunath Anant} } @article { ISI:000233264700006, title = {Influence of alkali metal doping on selectivity behaviour of platinum catalysts for hydrogenation of 2-butyne-1,4-diol}, journal = {Catalysis Communications}, volume = {6}, number = {11}, year = {2005}, month = {NOV}, pages = {725-730}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {2-butene-1, 2-butyne-1, 4-diol, alkali metal doping, platinum catalysts, Selective hydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.07.009}, author = {Telkar, M. M. and Rode, C. V. and Rane, V. H. and Chaudhari, R.} } @conference { ISI:000234827500072, title = {Influence of Sn- and Al- metal sources on post-synthesis modification of mesoporous SBA-15 molecular sieves}, booktitle = {3rd Conference of the Federation-of-European-Zeolite-Association}, series = {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 = {AUG}, pages = {565-572}, publisher = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, address = {Prague, Czech Republic}, abstract = {

Mesoporous silica SBA-15 has been incorporated with various amounts of Sn and Al by post synthesis grafting technique, which results in excellent structural integrity and enhanced acidity. Physico-chemical characterization was done by various spectroscopic methods to understand the chemical nature of incorporated Sn and Al. XRD and BET results show that the hexagonal structural of the SBA-15 is maintained during the grafting with no loss of long range structure ordering. (119)Sn NMR Spectrum shows the presence of Sri in essentially octahedral environment, while 27 Al MAS NMR results confirm that a large proportion of the Al is in tetrahedral position. The resulting Sn and Al-grafted materials possess considerable catalytic activity in the transesterification of diethylmalonate (medium acidity) and isopropylation of naphthalene (strong acid sites), respectively.

}, isbn = {0-444-52082-1}, issn = {0167-2991}, author = {Shah, P and Ramaswamy, AV and Ramaswamy, V}, editor = {Cejka, J and Zilkova, N and Nachtigall, P} } @article { ISI:000227297900050, title = {Integrated fuel cell processor for a 5-kW proton-exchange membrane fuel cell}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {5}, year = {2005}, month = {MAR}, pages = {1535-1541}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A fuel processor is a combination of a few reactors to generate hydrogen required for a fuel cell. The study deals with the production of hydrogen suitable for a 5-kW proton-exchange membrane fuel cell (PEMFC) for household applications using liquefied petroleum gas (LPG) as the fuel. The aim is to energy integrate the five reactors in a fuel processor, i.e., desulfurizer, steam reformer, high-temperature shift reactor, low-temperature shift reactor, preferential oxidation reactor, and various heat exchangers. Heat-exchanger network synthesis analysis has been carried out for the entire process to make the process efficient. The results obtained from the studies show that the steam reforming with LPG gives a higher concentration of hydrogen in the product of about 74\%. The fuel cell efficiency is around 34\%, and the thermal efficiency including lean gas is about 93\%. The model developed can serve as the basis for the development of an integrated PEMFC decentralized power pack for household applications.

}, issn = {0888-5885}, doi = {10.1021/ie0498450}, author = {Ratnamala, G. M. and Shah, N. and Mehta, V. and Rao, P. V. and Devotta, S.} } @article { ISI:000230435900058, title = {Kinetic modeling of reductive alkylation of aniline with acetone using Pd/Al2O3 catalyst in a batch slurry reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {14}, year = {2005}, month = {JUL}, pages = {5388-5396}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The kinetics of reductive alkylation of aniline with acetone was studied in a slurry reactor under isothermal conditions in a temperature range of 378-408 K using 3\% Pd/Al2O3 catalyst. Experimental data on concentration-time as well as hydrogen consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and partial pressure of hydrogen. Separate controlled experiments were performed to understand the nature of the condensation reaction between aniline and acetone, which forms the Shiff{\textquoteright}s base intermediate. From the concentration-time profiles and the effect of reaction conditions, it was found that the noncatalytic equilibrium formation of the Shiff base intermediate was the slowest step in the multistep reaction sequence. Several rate equations were considered to fit the batch slurry reactor data, and rate models based on competitive dissociative adsorption of hydrogen and the reactive substrates in the rate-limiting catalytic steps were found to represent the experimental data. The kinetic parameters were evaluated by fitting the integral batch reactor data at different temperatures. The activation energies, heat of adsorption, and entropy of adsorption of all the reactant species were also evaluated.

}, issn = {0888-5885}, doi = {10.1021/ie049093+}, author = {Roy, D. and Jaganathan, Rengaswamy and Chaudhari, Raghunath V.} } @article { ISI:000231426000052, title = {Layered inorganic-organic clay-like nanocomposites rearrange to form silsesquioxanes on acid treatment}, journal = {Journal Physical Chemistry B}, volume = {109}, number = {33}, year = {2005}, month = {AUG}, pages = {16034-16039}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The formation of talc-like compounds by the condensation of organotrialkoxy silanes with magnesium hydroxide has been recently reported. These represent layered hybrid nanomaterials that have a layer thickness of around 1 nm, have organic moieties covalently linked to the layer surfaces, and are called {\textquoteleft}{\textquoteleft}organoclays.{\textquoteright}{\textquoteright} We show that such compounds are sensitive to acid treatment. When a phenylclay is treated with hydrochloric acid, magnesium leaches out, destroying the layered structure. The extent to which magnesium is leached out is a function of the time of the acid treatment and the concentration of the acid used. Magnesium leaches out rapidly when the concentration of acid used to treat the phenyl-clay is higher, and the extent of structural magnesium that is leached out is also higher for higher acid concentrations. Removal of the magnesium rearranges the structure of the phenyl-clay to form oligomeric phenylsilsesquioxanes. FTIR and NMR suggest that the silsesquioxanes formed by acid treatment of the phenyl-clay comprise a mixture of ladderlike and cagelike structures.

}, issn = {1520-6106}, doi = {10.1021/jp0526400}, author = {Kumaraswamy, Guruswamy and Deshmukh, Yogesh S. and Agrawal, Vikrant V. and Rajmohanan, P.} } @article { ISI:000232864800029, title = {Low temperature synthesis of MgTa2O6 powders}, journal = {Materials Letters}, volume = {59}, number = {29-30}, year = {2005}, month = {DEC}, pages = {3926-3928}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A combination of digestion and further low temperature calcination to crystallize the product is employed to prepare MgTa2O6 (MT) ceramics. Freshly prepared niobium hydroxide gel is mixed with magnesium hydroxide thoroughly and allowed to react at 100 degrees C under refluxing and stirring conditions for 6-12 h. The X-ray amorphous product so formed is heated at 550 degrees C to form crystalline MgTa2O6. This is the lowest temperature so far reported for the formation of MgTa2O6. For comparison, MT powders were also prepared by the traditional solid state method. Transmission electron microscope (TEM) investigations revealed that the average particle size is 40 nm for the low temperature calcined powders. (C) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, magnesium tantalate, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.07.035}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000228499400014, title = {Main chain thermotropic liquid crystalline polyurethanes containing biphenyl mesogens based on novel AB-type self-polycondensation route: FT-IR and XRD studies}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {9}, year = {2005}, month = {MAY}, pages = {1903-1912}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {FT-IR, liquid-crystalline polymers, polyurethanes, XRD studies}, issn = {0887-624X}, doi = {10.1002/pola.20668}, author = {Ranganathan, T. and Gowd, E. B. and Ramesh, C. and Kumar, Anil} } @article { ISI:000228596500024, title = {Matched asymptotic solution for flow in a semi-hyperbolic die}, journal = {Chemical Engineering Science}, volume = {60}, number = {11}, year = {2005}, month = {JUN}, pages = {3107-3110}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A semi-hyperbolic converging geometry finds application as an inexpensive elongation rheometer under certain flow conditions. We provide a matched asymptotic solution for the flow of a Newtonian fluid under no-slip boundary conditions. The predicted velocity and pressure profiles agree nearly quantitatively with CFD simulated values. Our theoretical approach has certain advantages over the known similarity solution proposed by James (1991. A.I.Ch.E. Journal 37, 59-64). (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {elongation viscosity, matched asymptotic solution, semi-hyperbolic}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.12.043}, author = {Subramanian, G and Ranade, V and Nagarkar, S and Lele, Arundhati C.} } @article {43222, title = {Mild and efficient method for the synthesis of vinylogous carbamates from alkyl azides}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {FEB}, pages = {979-982}, abstract = {A mild and efficient one-pot method for the synthesis of vinylogous carbamates is reported starting from alkyl azides under a hydrogen atmosphere using 10\% Pd/C. The resulting products are useful intermediates for the synthesis of heterocyclic compounds, natural products, and in peptidomimetics. (C) 2004 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2004.12.047}, author = {Reddy, D. Srinivasa and Rajale, T. V. and Shivakumar, K. and Iqbal, Javed} } @article { ISI:000234037500002, title = {Modeling of rotary desiccant wheels}, journal = {Chemical Engineering \& Technology}, volume = {28}, number = {12}, 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 = {1473-1479}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Rotary desiccant wheels are widely used in dehumidification and energy recovery applications. In this work, we have developed a 2D, steady state model of a rotary desiccant wheel. Mass and energy balance equations for the air streams and the desiccant wheels were developed. The hydraulic diameter and surface area for heat and mass transfer were calculated based on knowledge of the flute geometry. Appropriate correlations for the Sherwood number and Nusselt number were used to estimate heat and mass transfer coefficients. The model is capable of predicting steady state behavior of desiccant wheels having at the most three sections (process, purge, and regeneration). The mathematical model was validated using a real desiccant wheel, and the calculation results are in reasonable agreement with the experimental data. Based on this model, the temperature and humidity profiles in the wheel during both the dehumidification and the regeneration processes are analyzed. The simulated results were used to gain an insight into the operation of desiccant wheels. The model and the presented results will be useful for optimizing dehumidification and energy recovery applications.

}, keywords = {1, 4-benzodioxan-2-carboxylate, 4-benzodioxan-2-carboxylic acid, doxazosin, enantio selectivity, enantiomeric ratio, ethyl 1, ethyl acetate, Lipases, transesterfication}, issn = {0930-7516}, doi = {10.1002/ceat.200500164}, author = {Harshe, Yogesh M. and Utikar, R. P. and Ranade, V. V. and Pahwa, D.} } @article { ISI:000231486900018, title = {Modeling of vaporization and cracking of liquid oil injected in a gas-solid riser}, journal = {Chemical Engineering Science}, volume = {60}, number = {22, SI}, year = {2005}, note = {7th International Conference on Gas-Liquid and Gas-Liquid-Solid, Strasbourg, FRANCE, FEB, 2005}, month = {NOV}, pages = {6049-6066}, publisher = {Chem Engn Grp Nancy}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Vaporization and cracking of liquid oil injected in a gas-solid riser (fluid catalytic cracking riser reactor) was computationally studied in this work. Evaporation of a single drop injected in a stream of gas-solid mixture was analyzed first. A model for simulating evaporation of a drop considering heat transfer from the gas phase as well as from the solid particles was developed. The model relates the evaporation rate of droplet with rate of collisions of solid particles, specific heat capacities of solid and liquid, latent heat of vaporization, relative velocity of gas and liquid and temperatures of three phases. The understanding gained from such a model was then extended to simulate evaporation of liquid drops injected in FCC risers. The Eulerian-Lagrangian approach was used to simulate simultaneous evaporation and cracking reactions occurring in FCC riser reactors. A commercial CFD code, FLUENT (of Fluent Inc., USA) was used. Four and ten lump models were used for simulating cracking reactions. Appropriate user defined functions were developed to implement heterogeneous kinetics and heat transfer models in FLUENT. A special algorithm was developed to calculate accumulated coke on catalyst particles. A boiling point range was considered for simulating realistic oil feedstock. The model was first evaluated by comparing predicted results with published industrial data. The simulations were then carried out to understand influence of key design and operating parameters on performance of FCC riser reactors. The parameters studied included; initial oil droplet distribution, catalyst inlet temperature, catalyst to oil ratio and thermal cracking. The approach, model and results presented here would be useful for optimization of FCC operation, cost to benefit analysis of new FCC nozzles and related decision-making. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {cracking reactions, Evaporation, FCC, heat transfer, riser}, issn = {0009-2509}, doi = {10.1016/j.ces.2005.04.046}, author = {Nayak, S. V. and Joshi, S. L. and Ranade, V. V.} } @article {43215, title = {Modular synthesis of cyclic peptidomimetics inspired by gamma-turns}, journal = {Organic Letters}, volume = {7}, year = {2005}, month = {MAR}, pages = {1059-1062}, abstract = {A series of peptidomimetics based on a gamma-turn motif were synthesized using a modular approach, in which N-protected piperidones were reacted with a selection of 2-hydroxyalkyl azides derived from common L-amino acids. Hydrolysis of the initially formed iminium ethers afforded the targeted series of substituted 1,4-diazepin-5-ones.}, doi = {10.1021/ol047323a}, author = {Ramanathan, S. K. and Keeler, J. and Lee, H. L. and Reddy, D. Srinavasa and Lushington, G. and Aube, J.} } @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:000231397200071, title = {Morphological consequences of interchange reactions during solid state copolymerization in poly(ethylene terephthalate) and polycarbonate oligomers}, journal = {Polymer}, volume = {46}, number = {18}, year = {2005}, month = {AUG}, pages = {7443-7449}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {Acanthaceae, Andrographis paniculata, anti-HIV, bis-andrographolide ether, Cytotoxic activity}, issn = {1478-6419}, doi = {10.1080/14786410410001709197}, author = {Reddy, V. L. N. and Reddy, S. M. and Ravikanth, V. and Krishnaiah, P. and Goud, T. V. and Rao, T. P. and Ram, T. S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Venkateswarlu, Y} } @article { ISI:000232011300008, title = {Nitrogen ligands: The transition metal catalyzed reaction of aryl halides with olefins (Mizoroki-Heck), phenylboronic acid (Suzuki coupling) and Buchwald-Hartwig amination, new catalysts and effect of co-catalysts - Aryl halide activation - Part I}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {44}, number = {9}, year = {2005}, month = {SEP}, pages = {1894-1908}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Nitrogen ligands are an excellent alternative for the traditional P-ligands in the Pd catalyzed Mizoroki-Fleck reaction, Suzuki coupling and Buchwald-Hartwig aryl amination. Pd complexes of dimethyl glyoxime, 8-hydroxyquinoline, salen, picolinic acid, and DAB ligands gave high yields of the E-cinnamates and E-stilbenes from aryl iodides. Acetophenone oxime N, N-dimethybenzylamine and ferrocenyl oxime palladacycle are better catalysts with comparable yields, high TON (95, 000) and TOF{\textquoteright}s (2, 500 h(-1)) to P-ligand catalysts. Aryl bromides and in a few cases, aryl chlorides could also be activated by these complexes by the use of Lewis acid and (C(4)H(9))(4)NI as additives. Cy-DAB ligands gave good yields with electron rich aryl bromides and the use of ionic liquid improve the yield. These N-ligand metal complexes can be readily synthesized and the ligands possess the advantage of easy functional group modifications and convenient synthetic methods compared to P-ligands. The degradation reactions associated with P-ligands are not observed in the N-ligands, with comparable, high thermal, moisture and air stability and insensitivity. Activation of aryl bromides (Mizoroki-Fleck reaction, Suzuki reaction) could be achieved in high yields, TON and TOF (86-94\% yield, TON: 36, 000-90, 000, TOF:6, 000-11, 500 h-1) catalyzed by monomeric amine and oxime palladacycles (Cat-8, 11, 13 B) with a N-heterocyclic carbene ligand better than a phosphorous ligand. Molten (C(4)H(9))(4)NBr is an efficient ionic liquid medium for the Mizoroki-Fleck reaction of aryl bromides, giving higher yields. Low to moderate yields of aryl amination are obtained with the carbene pallaclacycle and N, N-dibenzyl piperazine Pd complexes.

}, keywords = {DAB, DMG, Mizoroki-Heck reaction, nitrogen ligands, Palladacycle}, issn = {0376-4699}, author = {Iyer, S and Kulkarni, GM and Ramesh, C and Sattar, AK} } @article { ISI:000229782600017, title = {Novel, benign, solid catalysts for the oxidation of hydrocarbons}, journal = {Philosophical Transactions of the Royal Society A - Mathematical, Physical and Engineering Sciences}, volume = {363}, number = {1829}, year = {2005}, month = {APR}, pages = {1001-1012}, publisher = {ROYAL SOCIETY}, type = {Article}, address = {6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND}, abstract = {

The catalytic properties of two classes of solid catalysts for the oxidation of hydrocarbons in the liquid phase are discussed: (i) microporous solids, encapsulating transition metal complexes in their cavities and (ii) titanosilicate molecular sieves. Copper acetate dimers encapsulated in molecular sieves Y, AICM-22 and VPI-5 use dioxygen to regioselectively ortho-hydroxylate L-tyrosine to L-dopa, phenol to catechol and cresols to the corresponding o-dihydroxy and o-quinone compounds. Monomeric copper phthalocyanine and salen complexes entrapped in zeolite-Y oxidize methane to methanol, toluene to cresols, naphthalene to naphthols, xylene to xylenols and phenol to diphenols. Trimeric mu(3)-oxo-bridged Co/Mn cluster complexes, encapsulated inside Y-zeolite, oxidize para-xylene, almost quantitatively, to terephthalic acid. In almost all cases, the intrinsic catalytic activity (turnover frequency) of the metal complex is enhanced very significantly, upon encapsulation in the porous solids. Spectroscopic and electrochemical studies suggest that the geometric distortions of the complex on encapsulation change the electron density at the metal ion site and its redox behaviour, thereby influencing its catalytic activity and selectivity in oxidation reactions. Titanosilieate molecular sieves can oxidize hydrocarbons using dioxygen when loaded with transition metals like Pd, An or Ag. The structure of surface Ti ions and the type of oxo-Ti species generated on contact with oxidants depend on several factors including the method of zeolite synthesis, zeolite structure, solvent, temperature and oxidant. Although, similar oxo-Ti species are present on all the titanosilicates, their relative concentrations vary among different structures and determine the product selectivity.

}, keywords = {benign catalytic oxidations, encapsulated metal complexes, Solid catalysts, titanosilicate molecular sieves}, issn = {1364-503X}, doi = {10.1098/rsta.2004.1538}, author = {Ratnasamy, P and Raja, R and Srinivasi, D} } @conference { ISI:000245886300024, title = {Novel method for the synthesis of siloxane nanowires and filaments using gold nanoparticle catalysts}, booktitle = {International Conference on Nanoscience and Technology}, series = {International Journal of Nanoscience Series}, volume = {4}, number = {5-6}, year = {2005}, note = {International Conference on Nanoscience and Technology, Calcutta, INDIA, DEC 17-20, 2003}, month = {DEC}, pages = {1007-1010}, publisher = {World Scientific Publ Co Pte Ltd, Po Box 128 Farrer Rd, Singapore 9128, Singapore}, organization = {World Scientific Publ Co Pte Ltd, Po Box 128 Farrer Rd, Singapore 9128, Singapore}, address = { Calcutta, India}, abstract = {

A unique polymerization reaction of alkylsilanes to siloxane nanowires, filaments and tubes in presence of gold nanoparticles and water is presented. The gold nanoparticles, which catalyze this reaction also work as templates restricting the shape of the resulting polymers into wires and tubes. High resolution transmission electron microscopy images clearly reveal the presence of gold nanoparticle at the tip of each wire supporting the template hypothesis. Elemental analyses by different methods confirm the stoichiometry to be C18H37SiO1.5, when the alkylsilane used was C18H37SiH3, thus proving that the alkyl group remains intact during the polymerization reaction.

}, keywords = {gold nanoparticles, Nanowires, siloxane polymers}, doi = {10.1142/S0219581X0500398X}, author = {Bhagavatula L. V. Prasad and Stoeva, S. and Sorensen, C. M. and Klabunde, Kenneth J. and Zaikovskii, V.}, editor = {Sanyal, M. K. and Raychaudhuri, A. K. and Chakravorty, D.} } @article { ISI:000225750600004, title = {Novel polymer-inorganic solid-state reaction for the synthesis of CdS nanocrystallites}, journal = {Materials Letters}, volume = {59}, number = {5}, year = {2005}, month = {FEB}, pages = {554-559}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We offer a novel polymer-inorganic solid-state reaction route for the in situ generation of nanochalcogenide semiconductor in the network of polymer which itself acts as a chalcogen source. We have exemplified feasibility of this route by reacting CdI2 with engineering thermoplastic polyphenylene sulphide (PPS). These two reactants in 1:1 and 10:1 molar ratios were simply heated at the crystalline melting temperature of PPS. The resultant products were characterized by X-ray diffractometry, Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM, with selected area electron diffraction). The prima facie observations revealed the formation of cubic nanocrystallites of US with the particle size ranging from 6 to 20 nm entrapped in modified (cyclized) PPS matrix when the reactants were taken in 10:1 molar ratio. A tentative mechanism has been suggested for such hitherto unattempted solid-state reaction. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {CdS nanocrystallites, Semiconductor, solid-state reaction, Thermoplastic polymer matrix}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.037}, author = {Kanade, K. G. and Hawaldar, Ranjit R. and Pasricha, R. and Radhakrishnan, S. and Seth, T. and Mulik, Uttam P. and Kale, B. B. and Amalnerkar, Dinesh P.} } @article { ISI:000231841800033, title = {Optimization and scale up of production of alkaline protease from Conidiobolus coronatus}, journal = {Process Biochemistry}, volume = {40}, number = {9}, year = {2005}, month = {SEP}, pages = {3152-3158}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Alkaline protease secreted by Conidiobolus coronatus has been evaluated extensively in tanneries and finds application in pre-tanning operations in leather manufacture. It is important to produce the enzyme in inexpensive and optimized media on large scale for the process to be commercially viable. The present paper describes optimization of fermentation conditions in shake flasks and scale up of production to 100 L in fermentors. The production is complete in 2-3 days comparable to bacterial fermentations. The organism utilized several carbon sources such as starch, sucrose, lactose, glucose and fructose for production. Soyabean meal at an optimum concentration of 2-3\% was found to be best inducer. Diammonium hydrogen phosphate, casamino acids and Hi-media peptone gave activities comparable to yeast extract. Preservation and stabilization studies showed that glycerol conferred considerable stabilization at room temperature while ammonium sulphate precipitated enzyme at 0.9 saturation was best with stability up to 2 years even at room temperature. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Alkaline Protease, Conidiobolus, Fermentation, Optimization, scale up}, issn = {1359-5113}, doi = {10.1016/j.procbio.2005.04.005}, author = {Laxman, Ryali Seeta and Sonawane, A. P. and More, Shivaji V. and Rao, B. S. and Rele, M. V. and Jogdand, Vitthal V. and Deshpande, V. V. and Rao, M. B.} } @article { ISI:000227915900011, title = {Overview on the degradability of polymer nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {88}, number = {2}, year = {2005}, month = {MAY}, pages = {234-250}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polymer nanocomposites have attracted great attention world wide from both academic and industrial points of view. The material properties of polymers can be enhanced dramatically by incorporating layered silicates at fairly low concentrations. The durability of any material depends upon several factors e.g. light, heat, microwaves, mechanical abrasion etc. The study and the effect of these factors on the performance are essentially required to extend the application limits. The durability of polymer nanocomposites has been evaluated under different environments. The present review describes the durability of different polymer nanocomposites mainly under thermal- and photoageing. Biodegradable nanoeomposites of different polymers are also discussed briefly. (c) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradation, Degradation, layered silicates, Nanocomposites, weathering}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2004.09.013}, author = {Pandey, JK and Reddy, KR and Kumar, AP and Singh, RP} } @article { ISI:000226424000005, title = {Oxidation of norbornene over vanadium-substituted phosphomolybdic acid catalysts and spectroscopic investigations}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {227}, number = {1-2}, year = {2005}, month = {MAR}, pages = {37-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Oxidation of norbornene has been carried out over mono-, di- and tri-vanadium-substituted phosphomolybdic acid catalysts with aqueous hydrogen peroxide (aq. H2O2) as an oxidant in different solvents. Monovanadium-substituted phosphomolybdic acid catalyst was found to be better than other catalysts for the above reaction and acetonitrile was the suitable solvent. At the optimum temperature of 60 degreesC, the norbornene conversion was 70\% and the selectivity for 2,3-epoxy norbornane was 58\%. The side products were norborneols and 2-norbornanone. The lower selectivity of 2,3-epoxy norbornane with aq. H2O2 is attributed to the simultaneous formation of other products, norborneols and 2-norbornanone. The norborneols are formed from norbornene by acid-catalyzed reaction. Other oxidants like urea-hydrogen peroxide adduct (UHP) and tert-butyl hydrogen peroxide (TBHP) were also tested for norbornene oxidation reaction. With UHP, the conversion was almost same (69\%) as that of aq. H2O2 reaction; however, 2,3-epoxy norbornane was the main product with \>97\% selectivity. Thus, the overall yield was 66.9\% at 60 degreesC after 4 h. The high selectivity with UHP is attributed to the controlled release of H2O2, absence of water and less acidic nature of UHP. With TBHP the selectivity for the epoxide was \>96\%; however, the conversion was low (27\%). A mechanism for the norbornene oxidation is believed to be proceeding via V(5+)-peroxo and V(4+)-superoxo intermediates. NMR, EPR and UV-vis spectroscopic techniques were employed to understand the reaction intermediates and reaction pathways. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {2, 3-epoxy norbornane, aq. H2O2, epoxidation, EPR, NMR, norbornene, urea-H2O2 adduct, UV-Vis, vanadium-substituted phosphomolybdic acid}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.10.005}, author = {Raj, N. K. K. and Ramaswamy, A. and Manikandan, Palanichamy} } @article { ISI:000227565800022, title = {Oxidative dehydrogenation of ethylbenzene over vanadia-alumina catalysts in the presence of nitrous oxide: structure-activity relationship}, journal = {Journal of Catalysis}, volume = {230}, number = {2}, year = {2005}, month = {MAR}, pages = {484-492}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {absorption edge energy, Alumina, ethylbenzene, Nitrous oxide, oxidative dehydrogenation, polyvanadates, styrene, vanadia}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.01.010}, author = {Shiju, N. R. and Anilkumar, Mettu and Mirajkar, Subhash P. and Gopinath, Chinnakonda S. and Rao, B. S. and Satyanarayana, C. V.} } @article { ISI:000230232100019, title = {Partial ring hydrogenation of naphthols over supported metal catalysts in supercritical carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {34}, number = {6}, year = {2005}, month = {JUN}, pages = {782-783}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Selective ring hydrogenation of naphthols to tetrahydronaphthols and tetralones proceeded at 323 K over a charcoal supported rhodium catalyst in supercritical carbon dioxide.

}, issn = {0366-7022}, doi = {10.1246/cl.2005.782}, author = {Mine, Eiichi and Haryu, E. and Arai, K. and Sato, T. and Sato, O. and Sasaki, A. and Rode, C. V. and Shirai, M.} } @article { ISI:000226887500027, title = {Phase transitions in octanethiol-capped Ag nanocluster microfilm assemblies}, journal = {Thermochimica Acta}, volume = {426}, number = {1-2}, year = {2005}, month = {FEB}, pages = {207-212}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {differential thermal analysis, infrared spectroscopy, phase transitions, silver nanoclusters}, issn = {0040-6031}, doi = {10.1016/j.tca.2004.08.009}, author = {Ellis, A. and D{\textquoteright}Arcy-Galla, J. and Vijayamohanan, K. and Goswami, R. and Ganesan, P. G. and Ryu, C. and Ramanath, G.} } @article { ISI:000226264100002, title = {PHB synthase from Streptomyces aureofaciens NRRL 2209}, journal = {FEMS Microbiology Letters}, volume = {242}, number = {1}, year = {2005}, month = {JAN}, pages = {13-18}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An similar to4.9 kb Sau3A I genomic DNA fragment from the Streptomyces aureofaciens NRRL 2209 aiding in the biosynthesis of PHB in recombinant Escherichia coli has been sequenced and analysed for phaC gene. The putative phaC(sa) gene of 2 kb is 79.1\% GC rich and encodes a 63.5 kDa protein. It expressed under its own promoter and significant PHA synthase activity was detected in the recombinant E coli. This is the first putative PHA synthase gene reported from a Streptomyces sp. with serine as the active nucleophile in the conserved lipase box. The phaC(sa) was found in close proximity to a regulatory gene, which apparently regulated the phaC expression. (C) 2004 Federation of European Microbiological Societies. Published by Elsevier B.V. All rights reserved.

}, keywords = {PHA synthase, PHB, Streptomyces}, issn = {0378-1097}, doi = {10.1016/j.femsle.2004.10.034}, author = {Ramachander, TVN and Rawal, SK} } @article { ISI:000232341100010, title = {Photodegradation of ethylene/propylene/polar monomers co- and terpolymers. I - Prepared by group 4 catalyst systems}, journal = {Journal of Macromolecular Science-Pure and Applied Chemistry}, volume = {A42}, number = {9}, year = {2005}, month = {SEP}, pages = {1259-1270}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

The photooxidative degradation behavior of polyethylene, its copolymers (propylene/polar monomers) and terpolymers, synthesized by a group 4 catalyst system, has been studied by Fourier transform infrared spectroscopy and confirmed with scanning elecrton microscopy for morphological changes. The kinetics of photodegradation has also been studied. Surface damage caused by polychromatic (\>= 290 nm) at 55 degrees C in air is presented in different micrographs. The rate of photodegradation is very fast in terpolymers containing polar monomers as compared with copolymers and polyethylene. Morphological study of these photodegraded samples showed a very good relation with photodegradation results.

}, keywords = {functional polyolefins, Photodegradation, UV irradiation}, issn = {1060-1325}, doi = {10.1080/10601320500189570}, author = {Fernandes, Susete N. and Correia, Sandra and Prasad, A. V. and Reddy, K. R. and Rana, S. and Lonkar, Sunil P. and Marques, Maria M. and Singh, R. P.} } @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:000228797100048, title = {Preparation of ferroelectric BaNb2O6 the urea method}, journal = {Materials Letters}, volume = {59}, number = {14-15}, year = {2005}, month = {JUN}, pages = {1929-1931}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A precipitate was formed when an aqueous solution of BaCl2, NbF5 and urea in required ratio (the ratio of total metal cations to the urea is five) is heated on a water bath at 100 degrees C. This precipitate on decomposition at 600 degrees C yielded the nanocrystallites of BaNb2O6 (BN), as confirmed by X-ray diffraction study (XRD). This is a much lower temperature as compared to that prepared by traditional solid state method (1000 degrees C) as reported for the formation of BaNb2O6. Transmission electron microscope (TEM) investigations revealed that the average particle size is 85 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 900. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.02.028}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000228794300014, title = {Preparation of fine MgTa2O6 and Mg4Ta2O9 powders by chemical methods}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {119}, number = {2}, year = {2005}, month = {MAY}, pages = {189-191}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Two different chemical methods are applied to prepare MgTa2O6 (MT2) and Mg4Ta2O9 (M4T2) powders. A gel was formed when a aqueous solution of Mg(NO3)(2), TAF(5) and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 750 degrees C produced the fine crystallites of ternary oxide, M4T2. A simple co-precipitation technique had been successfully applied for the preparation of pure ultrafine single phase MT2. Ammonium hydroxide was used to precipitate Mg2+ and Ta5+ cations as hydroxides simultaneously. This precursor on heating at 750 degrees produces MT2 powders. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron microscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Electron microscopy, powders-chemical preparation, X-ray methods}, issn = {0921-5107}, doi = {10.1016/j.mseb.2005.02.058}, author = {Navale, SC and Ravi, V} } @article { ISI:000228253200008, title = {Preparation of nanocrystalline ferroelectric BaNb(2)O6 by citrate gel method}, journal = {Bulletin of Materials Science}, volume = {28}, number = {2}, year = {2005}, month = {APR}, pages = {121-123}, publisher = {INDIAN ACADEMY SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

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

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

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

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

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

}, keywords = {Bismuth, diffraction, Electron microscopy}, issn = {0921-5107}, doi = {10.1016/j.mseb.2004.11.006}, author = {Gaikwad, S. P. and Pasricha, R and Ravi, V} } @article { ISI:000230275100022, title = {Preparation of nanocrystalline LiNbO3 by citrate gel method}, journal = {Materials Letters}, volume = {59}, number = {19-20}, year = {2005}, month = {AUG}, pages = {2476-2478}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A gel was formed when an aqueous solution of Li(NO3) NbF5 and citric acid in stoichiometric ratio is heated in a water bath at 100 degrees C. This gel on decomposition at 700 degrees C produced the fine crystallites of ternary oxide, LiNbO3 (LN). The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, electronic materials, lithium niobate, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.03.028}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000229379000010, title = {Preparation of nanocrystalline MgNb2O6 by citrate gel method}, journal = {Materials Letters}, volume = {59}, number = {17}, year = {2005}, month = {JUL}, pages = {2146-2148}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A gel was formed when a aqueous solution of Mg(NO3)(2), NbF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 700 degrees C produced the fine crystallites of ternary oxide, MgNb2O6 (MN). The formation of MN phase and lattice parameters were determined by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Citrate gel, Electron microscopy, magnesium niobate, powders, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.02.050}, author = {Pasricha, R and Ravi, V} } @article { ISI:000231605600002, title = {Preparation of ultrafine LiTaO3 powders by citrate gel method}, journal = {Bulletin of Materials Science}, volume = {28}, number = {5}, year = {2005}, month = {AUG}, pages = {391-393}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A gel was formed when a aqueous solution of Li(NO3), TaF5 and citric acid in stoichiometric ratio was heated in a water bath. This gel on decomposition at 700 degrees C produced fine crystallites of ternary oxide, LiTaO3 (LT). The phase contents and lattice parameters were studied by powder X-ray diffraction (XRD). Particle size and morphology were studied by transmission electron spectroscopy (TEM).

}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02711224}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000233616100001, title = {Proceedings of the National Conference on Nanoscience and Technology - Part II - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {5, SI}, year = {2005}, month = {NOV}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000232886800001, title = {Proceedings of the National Conference on Nanoscience and Technology Part I - National Chemical Laboratory - Pune - 7-8 March 2005 - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {4, SI}, year = {2005}, month = {OCT}, pages = {547-548}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000227415700018, title = {Purification and properties of a low molecular weight 1,4-beta-D-glucan glucohydrolase having one active site for carboxymethyl cellulose and xylan from an alkalothermophilic Thermomonospora sp}, journal = {Biochemical and Biophysical Research Communications}, volume = {329}, number = {1}, year = {2005}, month = {APR}, pages = {111-116}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A low molecular weight 1,4-beta-D-glucan glucohydrolase from an extracellular culture filtrate of Thermomonospora sp. was purified to homogeneity. The molecular weight of the purified enzyme was 14.2 kDa by MALDI-TOF analysis and is in agreement with SDS-PAGE and gel filtration chromatography. The purified enzyme exhibited both endocarboxymethyl cellulase and endoxylanase activities. A kinetic method was employed to study the active site of the enzyme that hydrolyzes both carboxymethyl cellulose and xylan. The experimental data coincide well with the theoretical values calculated for the case of a single active site. Conformation and microenvironment at the active site was probed with fluorescent chemo-affinity labeling using o-phthalaidehyde as the chemical initiator. Formation of isoindole derivative resulted in complete inactivation of the enzyme to hydrolyze both xylan and CMC as judged by fluorescence studies corroborating a single active site for the hydrolysis of xylan and CMC. (C) 2005 Elsevier Inc. All rights reserved.

}, keywords = {Cellulase, CMC, OPTA, single active site, Thermomonospora sp., xylan, Xylanase}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2005.01.102}, author = {Jagtap, Sharmili and Rao, M} } @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.} } @conference { ISI:000229432300024, title = {Recent applications of chloroaluminate ionic liquids in promoting organic reactions}, booktitle = {Symposium on Ionic Liquids - Fundamentals, Progress, Challenges and Opportunities held at the 226th American-Chemical-Society National Meeting}, series = {ACS Symposium Series}, volume = {902}, year = {2005}, note = {Symposium on Ionic Liquids - Fundamentals, Progress, Challenges and Opportunities held at the 226th American-Chemical-Society National Meeting, New York, NY, SEP 07-11, 2003}, month = {SEP}, pages = {350-370}, publisher = {Amer Chemical Soc, 1155 Sixteenth ST NW, Washington, DC 20036 USA}, organization = {Amer Chemical Soc, 1155 Sixteenth ST NW, Washington, DC 20036 USA}, address = {New York, USA}, abstract = {

Chloroaluminate ionic liquids composed of AICl(3) and organic cations can promote a variety of organic reactions. The composition of these chloroaluminate ionic liquids governs the acidity and basicity of solvent media, in which the reactions are carried out. Useful physico-chemical properties of these ionic liquids and the recent work on their role in accelerating organic reactions are described in the present article.

}, isbn = {0-8412-3893-6}, issn = {0097-6156}, author = {Kumar, Anil and Sarma, Diganta}, editor = {Rogers, R. D. and Seddon, K. R.} } @article { ISI:000228867800003, title = {Response of trichogramma chilonis to infochemicals: an SEM and electrophysiological investigation}, journal = {Biocontrol}, volume = {50}, number = {3}, year = {2005}, month = {JUN}, pages = {429-447}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {antennae, Chickpea, cotton, EAG, parasitoid, pigeon pea, scanning electron microscopy, Trichogramma chilonis, Volatiles}, issn = {1386-6141}, doi = {10.1007/s10526-004-1295-1}, author = {Sen, A and Raina, R and Joseph, Mary P. and Tungikar, VB} } @article { ISI:000228575900026, title = {Ring-closing metathesis mediated total synthesis of microcarpalide and herbarumin III}, journal = {Arkivoc}, number = {3}, year = {2005}, month = {FEB}, pages = {237-257}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

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

}, keywords = {herbarumin III, microcarpalide, microfilament, phosphodiesterase, ring-closing metathesis (RCM)}, author = {Gurjar, M. K. and Nagaprasad, R. and Ramana, C. V. and Karmakar, S. and Mohapatra, Debendra K.} } @article { ISI:000233062500003, title = {Role of a co-metal in bimetallic Ni-Pt catalyst for hydrogenation of m-dinitrobenzene to m-phenylenediamine}, journal = {Applied Catalysis A-General}, volume = {295}, number = {1}, year = {2005}, month = {OCT}, pages = {23-30}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Bimetallic catalyst, Catalytic hydrogenation, m-dinitrobenzene, m-phenylenediamine, Selective hydrogenation, turn over number, XPS and XRD of nickel}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.07.050}, author = {Telkar, M. M. and Nadgeri, J. M. and Rode, C. V. and Chaudhari, R.} } @article { ISI:000231067500001, title = {Role of Mg ions in modulating the morphology and structure of CaCO3 crystals grown in aqueous foams}, journal = {CrystEngComm}, volume = {7}, year = {2005}, month = {JUL}, pages = {469-475}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We investigate the role of magnesium ions in modulating the morphology and crystallography of CaCO3 crystals grown in aqueous foam. This is accomplished by first making foams from an aqueous mixture of CaCl2+MgCl2 and the anionic surfactant aerosol-OT (AOT) followed by reaction of the foam with Na2CO3 solution. The Ca2+ and Mg2+ ions electrostatically complex with AOT and react with Na2CO3 within the foam to yield CaCO3 crystals of interesting morphology. These studies indicate that CaCO3 in a fractured, needle-like morphology was formed at high Mg2+ concentrations in the foam whereas porous, rhombic CaCO3 crystals were obtained at low Mg2+ concentrations. The effect of water drainage time and thereby, the structure of the foam on the morphology of the CaCO3 crystals grown was also studied.

}, issn = {1466-8033}, doi = {10.1039/b501420b}, author = {Rautaray, Debabrata and Kasture, Manasi and Sastry, M.} } @article { ISI:000229298200025, title = {Role of non-linear processes in conducting polymer blends for piezo-sensors Part 2: studies on polyaniline/SBS blends}, journal = {Sensors and Actuators A-Physical}, volume = {120}, number = {2}, year = {2005}, month = {MAY}, pages = {474-481}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The electrical properties and piezo-response of conducting polymer blends have been investigated with respect to composition for styrene-butadiene-styrene (SBS) elastomer containing two grades of polyaniline (PANI). The blends were synthesized using solution/dispersion technique in which the conducting PANI was prepared with either HCl or dodecyl benzene sulfonic acid (DBSA) as dopant. Thick sheets cast from these exhibited high piezo-sensitive electrical resistance even at small mechanical load. The pressure dependence of resistance followed a non-linear power law of the type R = KP-m where K and m values changed considerably with composition. The current voltage characteristics in these blends were found to be highly non-linear and the conduction mechanism was either space charge limited or tunneling type depending on the concentration and nature of conducting additive. These various results have been explained on the basis of the phenomenological model developed incorporating the non-linear processes for electrical and mechanical properties. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {conducting polymer, non-linear process, piezo-sensors}, issn = {0924-4247}, doi = {10.1016/j.sna.2005.01.037}, author = {Radhakrishnan, S and Kar, Swarnendu B.} } @article { ISI:000229567400027, title = {Room temperature nitric oxide sensor actualized from Ru-doped SnO2 nanowires}, journal = {Sensors and Actuators B - Chemical}, volume = {107}, number = {2}, year = {2005}, month = {JUN}, pages = {708-715}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report synthesis of the novel Ru-doped SnO2 nanowires and their distinctive response towards NO., and liquefied petroleum gas (LPG) in air. These nanowires have been prepared by a simple approach of evaporation of metal oxide at elevated temperature, The sensor exhibits three order of magnitude changes in the conductivity on exposure to NO2 in air at room temperature, Furthermore. Ru being one of the excellent sensitizers towards LPG these wires also exhibits sensitivity at 250\° C. The amount of Ru plays a crucial role in modulating the sensitivity and lowering the operating temperature. {\textcopyright} 2005 Elsevier B.V. All rights reserved.

}, keywords = {LPG, Nanowires, NO2, tin oxide ruthenium oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2004.12.073}, author = {Ramgir, N. S. and Mulla, Imtiaz S. and Vijayamohanan, K. P.} } @article {43219, title = {Simple procedure for the synthesis of gamma-hydroxy-alpha,beta-(E)-alkenoic esters: formal synthesis of (+)-macrosphelides A and B}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {MAR}, pages = {2287-2290}, abstract = {A highly trans-selective conjugate reduction of 7-hydroxy-alpha,beta-alkynoic esters to produce gamma-hydroxy-alpha,beta-(E)-alkenoic esters using LiAlH4 is reported. The application of this methodology is demonstrated by a formal synthesis of the potent cell-cell adhesion inhibitors (+)-macrosphelides A and B. (c) 2005 Elsevier Ltd. All rights reserved.}, author = {Rao, K. Srinivasa and Mukkanti, K. and Reddy, D. Srinivasa and Pal, Manojit and Lqbal, Javed} } @article { ISI:000227508600006, title = {Stereoselective synthesis of (2S,7S)-7-(4-phenoxymethyl)2-(1-N-hydroxyureidyl-3-butyn-4-yl)oxepane: a potential anti-asthmatic drug candidate}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {5}, year = {2005}, month = {MAR}, pages = {935-939}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.01.024}, author = {Gurjar, M. K. and Rao, B. V. and Krishna, L. M. and Chorghade, Mukund S. and Ley, S. V.} } @article { ISI:000228412500017, title = {Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality}, journal = {Chemistry - A European Journal}, volume = {11}, number = {8}, year = {2005}, note = {Symposium on Chemistry-A European Conference - Stimulating Concepts in Chemistry, Inst Sci Ingenierie Supramoleculaires, Strasbourg, FRANCE, APR 15, 2005}, month = {APR}, pages = {2433-2439}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {crystal engineering, hydrogen bonds, nitrogen heterocycles, structure elucidation}, issn = {0947-6539}, doi = {10.1002/chem.200400340}, author = {Ahn, Sung-Hoon and PrakashaReddy, J. and Kariuki, B. M. and Chatterjee, S. and Ranganathan, A. and Pedireddi, V. R. and Rao, C. N. R. and Harris, Kenneth D. M.} } @article { ISI:000226466700032, title = {Studies on the crystallization behavior of nylon-6 in the presence of layered silicates using variable temperature WAXS and FTIR}, journal = {Macromolecules}, volume = {38}, number = {2}, year = {2005}, month = {JAN}, pages = {454-462}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0024-9297}, doi = {10.1021/ma048860d}, author = {Nair, S. S. and Ramesh, C.} } @article { ISI:000228080800024, title = {Swelling behavior and diffusion studies of high-water-retaining acrylamide/potassium methacrylate hydrogels}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {4}, year = {2005}, month = {MAY}, pages = {1153-1164}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Diffusion, hydrogels, swelling}, issn = {0021-8995}, doi = {10.1002/app.21565}, author = {Mohan, Y. M. and Murthy, P. S. K. and Rao, K. M. and Sreeramulu, J. and Raju, K. M.} } @article { ISI:000228301200003, title = {Synthesis, characterization, and performance evaluation of novel stabilized TDI-based polyurethane coatings under accelerated weathering}, journal = {Journal of Vinyl \& Additive Technology}, volume = {11}, number = {1}, year = {2005}, month = {MAR}, pages = {13-20}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

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

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

}, keywords = {EPDM, light induced grafting, Photostabilization, polymeric HALS}, issn = {1060-1325}, doi = {10.1081/MA-200065905}, author = {Lonkar, Sunil P. and Rana, S. and Singh, R. P. and Lacoste, Jacques and Gardette, Jean Luc and Jestin, F. and Brocord, E.} } @article { ISI:000230275100032, title = {Synthesis of bismuth oxide nanoparticles at 100 degrees C}, journal = {Materials Letters}, volume = {59}, number = {19-20}, year = {2005}, month = {AUG}, pages = {2523-2525}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

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

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

}, keywords = {Ceramics, Chemical synthesis, dielectric properties, ferroelectricity, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.038}, author = {Anilkumar, Mettu and Dhage, S. R. and Ravi, V.} } @article { ISI:000233914500027, title = {Synthesis of CdS and alloyed CdMnS nanocrystals using aqueous foams}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {12}, year = {2005}, month = {DEC}, pages = {2144-2154}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

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

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

}, keywords = {CeO2, chemical preparation, Electron microscopy, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.04.009}, author = {Dhage, S. R. and Gaikwad, S. R. and Muthukumar, P. and Ravi, V.} } @article { ISI:000233209400079, title = {Synthesis of eupomatilone-6 and assignment of its absolute configuration}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {23}, year = {2005}, month = {NOV}, pages = {9658-9661}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.11.019}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000229243800064, title = {Synthesis of hydroxyapatite crystals using amino acid-capped gold nanoparticles as a scaffold}, journal = {Langmuir}, volume = {21}, number = {11}, year = {2005}, month = {MAY}, pages = {5185-5191}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0743-7463}, doi = {10.1021/la048541f}, author = {Rautaray, D. and Mandal, Sujata and Sastry, M.} } @article { ISI:000228510500005, title = {Synthesis of nanocrystalline Mn3O4 at 100 degrees C}, journal = {Materials Research Bulletin}, volume = {40}, number = {4}, year = {2005}, month = {APR}, pages = {605-609}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, keywords = {chemical preparation, Electron microscopy, powders, TiO2, X-ray methods}, issn = {0272-8842}, author = {Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000230338900015, title = {Synthesis of rutile from ATO and stearic acid}, journal = {Materials Letters}, volume = {59}, number = {21}, year = {2005}, month = {SEP}, pages = {2673-2675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.12.003}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000227411400025, title = {Synthetic studies toward tricyclic cembranoids: a modular approach for the construction of the tricyclic framework of eunicin}, journal = {Tetrahedron Letters}, volume = {46}, number = {11}, year = {2005}, month = {MAR}, pages = {1881-1884}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Allene, Carbohydrate, cembranoid, eunicin, Ring closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.01.094}, author = {Gurjar, MK and Nayak, S and Ramana, CV} } @article { ISI:000230123500009, title = {Thermal degradation kinetics of polyesters containing mesogenic aromatic diols}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {3}, year = {2005}, month = {AUG}, pages = {784-792}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Activation energy, Degradation, kinetics (polym.), Polycondensation, polyesters}, issn = {0021-8995}, doi = {10.1002/app.21587}, author = {Mule, Smita Atmaram and Ghadage, R. S. and Jacob, Nalini E. and Rajan, C. R. and Ponrathnam, Surendra} } @article { ISI: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:000232196200008, title = {TiO2 ceramic varistor modified with tantalum and barium}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {123}, number = {1}, year = {2005}, month = {NOV}, pages = {50-52}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Ceramics, Oxides, TiO2, varistor, X-ray diffraction}, issn = {0921-5107}, doi = {10.1016/j.mseb.2005.06.015}, author = {Gaikwad, A. B. and Navale, SC and Ravi, V} } @article { ISI:000230396800004, title = {Ti-oxo radicals and product selectivity in olefin oxidations over titanosilicate molecular sieves}, journal = {Zeitschrift f{\"u}r Physikalische Chemie International Journal of Research in Physical Chemistry and Chemical Physics}, volume = {219}, number = {7}, year = {2005}, month = {JUL}, pages = {905-920}, publisher = {OLDENBOURG VERLAG}, type = {Article}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {

The O-O bond of Ti-oxo species (Ti-peroxo, Ti-hydroperoxo or Ti-superoxo) generated on titanosilicate molecular sieves contacted with H2O2 cleaves either heterolytically or homolytically. While the former type of O-O cleavage (generating non-radical reactive oxygen intermediates) leads to selective epoxide products, the latter (generating reactive oxygen radical intermediates, O-2(-center dot) and HOOcenter dot) results in non-sclective, allylic oxidation products in cyclohexene oxidation. These radicals were detected using EPR spin trapping techniques 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) was used as the spin trap. Radical quenchers like hydroquinone suppressed their concentration and enhanced epoxide selectivity.

}, keywords = {cyclic voltammetry of titanosilicates, EPR-spin trap experiments, Molecular sieves, oxidations, product selectivity, reactive oxygen species, titaniunz-oxo radicals, Titanosilicates}, issn = {0942-9352}, doi = {10.1524/zpch.219.7.905.67088}, author = {Shetti, VN and Srinivas, D and Ratnasamy, P} } @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:000225786100016, title = {Using the dynamic, expanding liquid-liquid interface in a Hele-Shaw cell in crystal growth and nanoparticle assembly}, journal = {Faraday Discussions}, volume = {129}, year = {2005}, month = {JAN}, pages = {205-217}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The liquid-liquid interface has been used with considerable success in the synthesis of advanced materials ranging from (bio)minerals to inorganic membranes to nanoparticles. In almost all such cases, the interface is static. The Hele-Shaw cell in which a viscous fluid is displaced by a less viscous one in a constrained manner has been invaluable in the study of dynamic instabilities at interfaces and in the study of viscous fingering pattern formation. However, the potential of the Hele-Shaw cell in carrying out reactions at the interface between the two fluids leading to the formation of inorganic materials has been largely unrecognized and underexploited. Realizing that the dynamic liquid-liquid interface in a Hele-Shaw cell would provide opportunities to control a variety of time-scales associated with material formation, we have started a program on the use of the Hele-Shaw cell in materials synthesis. In this discussion paper, we present some of our recent results on the growth of calcium carbonate crystals in the Hele-Shaw cell by the reaction of Ca2+ ions electrostatically complexed with carboxylate ions pinned to the interface with carbonate ions present in the aqueous part of the biphasic reaction medium. We show that both polymorph selectivity and the morphology of the crystals may be modulated by varying the experimental conditions in the cell. We also discuss the possibility of using the dynamic interface in the Hele-Shaw cell to cross-link gold nanoparticles in water through bifunctional linkers present in the oil phase and investigate the nature of the structures formed.

}, issn = {1364-5498}, doi = {10.1039/b405599n}, author = {Rautaray, D and Kavathekar, R and Sastry, M} } @article { ISI:000229488700008, title = {Vapor phase oxidation of 4-fluorotoluene over vanadia-titania catalyst}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {234}, number = {1-2}, year = {2005}, month = {JUN}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, issn = {1359-7345}, doi = {10.1039/b414447n}, author = {Maddanimath, Trupti and Kumar, Anil and D{\textquoteright}Arcy-Galla, J. and Ganesan, P. G. and Vijayamohanan, K. and Ramanath, G.} } @article { ISI:000231058000003, title = {Zeolite-based organic-inorganic hybrid catalysts for phosgene-free and solvent-free synthesis of cyclic carbonates and carbamates at mild conditions utilizing CO2}, journal = {Applied Catalysis A - General}, volume = {289}, number = {2}, year = {2005}, month = {AUG}, pages = {128-134}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

As-synthesized zeolite-beta exhibits high catalytic activity for the synthesis of cyclic carbonates and alkyl and aryl carbarnates by a phosgene-free route, utilizing the greenhouse effect gas CO2. The reaction occurs with high yields of the desired products at mild conditions and without using any solvent or cocatalyst. Cyclic carbonates are synthesized by cycloaddition reaction Of CO2 with oxiranes (epichlorohydrin, propene oxide, styrene oxide and n-butene oxide) at 393 K and 6.9 bar. Alkyl and aryl carbarnates are synthesized by the reaction of the corresponding amines, CO2 and n-butyl bromide at 353 K and 3.4 bar. The as-synthesized zeolite-beta containing the encapsulated quaternary ammonium ions is not only reusable in several recycling experiments, but also shows superior activity to that of the corresponding homogeneous, quaternary ammonium halide salt generally used in the commercial synthetic practice. The microporous silica (inorganic) acting in concert with the encapsulated organic component constitutes an efficient, recyclable catalyst for this reaction. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {alkyl and aryl carbamates, carbon dioxide utilization, cyclic carbonate, phosgene-free synthetic route, Polycarbonate, zeolite-beta}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.04.055}, author = {Srivastava, R and Srinivas, D and Ratnasamy, P} } @article { ISI:000241691500159, title = {3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {62}, number = {11}, year = {2006}, month = {NOV}, pages = {O4773-O4774}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

In the title compound, C16H12Cl2O2, the dihedral angle between the benzene rings is 28.63 (6)degrees. The crystal structure is stabilized by intermolecular C-H center dot center dot center dot O hydrogen bonds and by short Cl center dot center dot center dot Cl interactions.

}, issn = {1600-5368}, doi = {10.1107/S1600536806039006}, author = {Rosli, Mohd Mustaqim and Patil, P. S. and Fun, Hoong-Kun and Razak, Ibrahim Abdul and Puranik, Vedavati G. and Dharmaprakash, S. M.} } @article { ISI:000241691500169, title = {3-(3-bromophenyl)-1-(4-methoxyphenyl)-prop-2-en-1-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {62}, number = {11}, year = {2006}, month = {NOV}, pages = {O4798-O4799}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

In the title compound, C16H13BrO2, the dihedral angle between the aromatic rings is 41.34 (6)degrees. The molecules (via two C-H center dot center dot center dot O intermolecular interactions) form chains along the a axis that stack into layers parallel to the b axis.

}, issn = {1600-5368}, doi = {10.1107/S1600536806039778}, author = {Patil, P. S. and Rosli, Mohd Mustaqim and Fun, Hoong-Kun and Razak, Ibrahim Abdul and Puranik, Vedavati G. and Dharmaprakash, S. M.} } @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:000240521800008, title = {Adsorption of methanol on Si(100)/SiO(2)and mesoporous SBA-15}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {287}, number = {1-3}, year = {2006}, month = {SEP}, pages = {51-58}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Adsorption of methanol on SiO(100)/SiO2 substrate and mesoporous SBA-15 has been studied by using Fourier transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS). Contact angle technique is employed to study the adsorption kinetics of methanol on SiO(100)/SiO2 and thermal stability of adlayer. Thermogravimetric (TGA) technique is used to understand the thermal behavior of methanol layer on SBA-15. Adsorption kinetics fit fairly well with Langmuir isotherms giving adsorption rate constant, k(a) = 0.0021 W s(-1). FTIR results show formation of methoxy silicon (SiOCHA silicon polyhydride (SiH2), carboxylate, molecular water and hydroxyl groups on Si(100)/SiO2 surface and only methoxy silicon on SBA-15. XPS results confirm methanol adsorption and support FTIR results. The methanol adlayers are found to be thermally stable up to a temperature of similar to 262 degrees C on both Si(100)/SiO2 and SBA-15 and decompose between 262 and 450 degrees C. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, desorption, kinetics, Methanol, SBA-15, Si(100)/SiO2, thermal stability}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2006.03.021}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Mathew, Nevin T. and Ravi, V. and Jacob, Nalini E. and Patil, K. R.} } @article { ISI:000236979100030, title = {Amino functionalized novel cholic acid derivatives induce HIV-1 replication and syncytia formation in T cells}, journal = {Journal of Medicinal Chemistry}, volume = {49}, number = {8}, year = {2006}, month = {APR}, pages = {2652-2655}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis of C-11 azido/amino functionalized cholic acid derivatives has been achieved in excellent yields. Contrary to the previous prediction of analogous compounds to be HIV-1 protease inhibitors, in the present study these novel cholic acid derivatives induced host cell fusion during the progress of HIV-1 infection and produced multinucleated giant cells. This is the first report of syncytia induction and enhancement of viral replication in HIV-1 infected T cells by cholic acid derivatives.

}, issn = {0022-2623}, doi = {10.1021/jm051114u}, author = {Salunke, Deepak B. and Ravi, D. S. and Pore, V. S. and Mitra, Debashis and Hazra, Braja G.} } @article { ISI:000242459500013, title = {Biochemical characterization of a low molecular weight aspartic protease inhibitor from thermo-tolerant bacillus licheniformis: kinetic interactions with pepsin}, journal = {Biochimica et Biophysica Acta-General Subjects}, volume = {1760}, number = {12}, year = {2006}, month = {DEC}, pages = {1845-1856}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present article reports a low molecular weight aspartic protease inhibitor, API, from a newly isolated thermo-tolerant Bacillus licheniformis. The inhibitor was purified to homogeneity as shown by rp-HPLC and SDS-PAGE. API is found to be stable over a broad pH range of 2-11 and at temperature 90 degrees C for 2 1/2 h. It has a Mr (relative molecular mass) of 1363 Da as shown by MALDI-TOF spectra and 1358 Da as analyzed by SDS-PAGE The amino acid analysis of the peptide shows the presence of 12 amino acid residues having Mr of 1425Da. The secondary structure of API as analyzed by the CD spectra showed 7\% alpha-helix, 49\% beta-sheet and 44\% aperiodic structure. The Kinetic studies of Pepsin-API interactions reveal that API is a slow-tight binding competitive inhibitor with the IC(50) and K(i) values 4.0nM and (3.83 nM - 5.31 nM) respectively. The overall inhibition constant K(i)* value is 0.107 +/- 0.015 nM. The progress curves are time-dependent and consistent with slow-tight binding inhibition: E+I reversible arrow (k(4), k(5)) EI reversible arrow (k(6), k(7)) EI*. Rate constant k(6) = 2.73 +/- 0.32 s(-1) reveals a fast isomerization of enzyme-inhibitor complex and very slow dissociation as proved by k(7)=0.068 +/- 0.009s(-1). The Rate constants from the intrinsic tryptophanyl fluorescence data is in agreement with those obtained from the kinetic analysis; therefore, the induced conformational changes were correlated to the isomerization of EI to EI*. (c) 2006 Elsevier B.V. Ail rights reserved.

}, keywords = {Aspartic protease inhibitor, Bacillus licheniformis, enzyme kinetic, Pepsin, Slow-tight binding inhibition}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2006.08.004}, author = {Kumar, Ajit and Rao, Mala} } @article { ISI:000236076400015, title = {Biodegradation of gamma-sterilised biomedical polyolefins under composting and fungal culture environments}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {5}, year = {2006}, month = {MAY}, pages = {1105-1116}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polyolefin-based commodities are widely used as biomedical devices and food packaging after gamma-sterilisation. The aim of the present work was to study the effect of gamma-sterilisation on the biodegradation of polyolefins. Films of isotactic polypropylene, high-density polyethylene and ethylene-propylene (EP) copolymers were sterilised under gamma-radiation with doses of 10 and 25 kGy. Neat and sterilised samples were incubated in compost and fungal culture environments. The changes in functional groups, surface morphology and chain scission in polymer chains were characterized by FTIR spectroscopy, SEM and viscometric measurements, respectively. A gradual decrease in intrinsic viscosity [eta] and increase in carbonyl and hydroxyl regions in FTIR spectra were found for the gamma-sterilised samples as a function of increasing dose. Polypropylene was found to be more susceptible to both radio-oxidation and biodegradation. It was observed that in case of ethylene-propylene copolymers, extent of gamma-sterilisation and/or biodegradation depends on the composition and distribution of comonomers. Important surface erosion was detected by SEM, for higher sterilisation doses, after composting. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradation, chain scission, Composting and fungal culture, gamma-sterilisation, Polyolefins}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2005.07.004}, author = {Alariqi, Sameh A. S. and Kumar, A. P. and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000237128700003, title = {CFD simulation of gas-liquid stirred vessel: VC, S33, and L33 flow regimes}, journal = {AICHE Journal}, volume = {52}, number = {5}, year = {2006}, month = {MAY}, pages = {1654-1672}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A comprehensive computational model based on the Eulerian-Eulerian approach was developed to simulate gas-liquid flows in a stirred vessel. A separate submodel was developed to quantitatively understand the influence of turbulence and presence of neighboring bubbles on drag acting on bubbles. This submodel was used to identify an appropriate correlation for estimating the interphase drag force. The standard k-epsilon turbulence model was used to simulate turbulent gas-liquid flows in a stirred vessel. A computational snapshot approach was used to simulate motion of the standard Rushton turbine in a fully baffled vessel. The computational model was mapped onto FLUENT4.5, a commercial CFD solver. The model predictions were compared with the previously published experimental data of Bombac and co-workers. The model was used to simulate three distinct flow regimes in gas-liquid stirred vessels: vortex clinging (VC), alternating small cavities (S33), and alternating large cavities (L33). The predicted results show reasonably good agreement with the experimental data for all three regimes. The computational model and results discussed in this work would be useful for understanding and simulating gas holdup distribution and flow regimes in stirred vessels. (c) 2006 American Institute of Chemical Engineers.

}, keywords = {computational fluid dynamics (CFD), Flow regimes, gas holdup distribution, Rushton turbine, stirred vessel}, issn = {0001-1541}, doi = {10.1002/aic.10762}, author = {Khopkar, A. R. and Ranade, V. V.} } @article { ISI:000236318000022, title = {CFD simulation of mixing in tall gas-liquid stirred vessel: role of local flow patterns}, journal = {Chemical Engineering Science}, volume = {61}, number = {9, SI}, year = {2006}, note = {7th International Conference on Fluid Mixing, London, ENGLAND, APR 10-12, 2006}, month = {MAY}, pages = {2921-2929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this work, we have used the computational fluid dynamics (CFD)-based models to investigate the gas-liquid flows generated by three down-pumping pitched blade turbines. A two-fluid model along with the standard k-epsilon turbulence model was used to simulate the dispersed gas-liquid flow in a stirred vessel. Appropriate drag corrections to account for bulk turbulence [Khopkar and Ranade, 2005. CFD simulation of gas-liquid flow in a stirred vessel: VC, S33 and L33 flow regimes. A.I.Ch.E. Journal, accepted for publication] were developed to correctly simulate different flow regimes. The computational snapshot approach was used to simulate impeller rotation and was implemented in the commercial CFD code, FLUENT4.5 (of Fluent. Inc., USA). The computational model has successfully captured the flow regimes as observed during experiments. The particle trajectory simulations were then carried out to examine the influence of the different flow regimes on the circulation time distribution. The model predictions were verified by comparing the predicted results with the experimental data of [Shewale and Pandit, 2006. Studies in multiple impeller agitated gas-liquid contactors. Chemical Engineering Science 61, 489-504]. The computational model and results discussed in this study would be useful for explaining the implications local flow patterns on the mixing process and extending the applications of CFD models for Simulating large multiphase stirred reactors. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {CFD, Flow regimes, mixing, pitched blade turbine, stirred vessel}, issn = {0009-2509}, doi = {10.1016/j.ces.2005.09.023}, author = {Khopkar, A. R. and Kasat, Gopal R. and Pandit, A. B. and Ranade, V. V.} } @article { ISI:000241717400007, title = {CFD simulation of shortstopping runaway reactions in vessels agitated with impellers and jets}, journal = {Journal of Loss Prevention in the Process Industries}, volume = {19}, number = {6}, year = {2006}, month = {NOV}, pages = {570-581}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Runaway reactions are continuing to be a problem in the chemical industry. A recent study showed that 26\% of our major chemical plant accidents are due to runaways. The consequences of runaway reactions are usually mitigated with (a) reliefs and containment systems or (b) shortstopping (reaction inhibition). This study covers the concept of shortstopping. One of the major reasons for runaways is power failure. In the advent of a power failure, mixing an inhibiting agent with the reactor contents is challenging. However, jets or impellers driven by a small generator can be used for mixing. This study compares shortstopping results in vessels agitated with jets and impellers using computational fluid dynamics (CFD). A commercial CFD code, Fluent is used. For shortstopping systems relying on jet mixing, angle and diameter of jet nozzle and jet velocity are the key design/operating parameters. For the systems with impellers, type, size and RPM of impeller are the key parameters. In this work, mixing with a jet mixer is first investigated for three nozzle diameters and two angles of injection. The best jet mixer configuration on the basis of mixing time is used for shortstopping studies. The simulated shortstopping results with the jet mixer are then compared with those obtained with impeller (Rushton and pitched blade turbine) stirred vessels. Our results identify the conditions for effective shortstopping; i.e., agitation requirements, locations for adding the inhibitor, and the quantity of inhibitor. The distribution of excess inhibitor is shown to be an important and essential design criterion for effective shortstopping when using impeller stirred vessels. The comparative study with a single jet shows that jet mixer is ineffective when used for shortstopping. Efforts such as adding excess inhibitor and inhibition with higher reaction rates at the same power, proved to be ineffective when using jet mixer compared to the results with impellers. (C) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {CFD, impeller stirred vessels, jet mixer, runaway reaction, shortstopping}, issn = {0950-4230}, doi = {10.1016/j.jlp.2006.02.003}, author = {Dakshinamoorthy, D. and Khopkar, A. R. and Louvar, J. F. and Ranade, V. V.} } @article { ISI:000235860500029, title = {Chemical methods to synthesize FeTiO3 powders}, journal = {Materials Letters}, volume = {60}, number = {11}, year = {2006}, month = {MAY}, pages = {1425-1427}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.041}, author = {Mona, J. and Kale, Sangeeta N. and Gaikwad, A. B. and Murugan, A. Vadivel and Ravi, V.} } @article { ISI:000239077500019, title = {Chemo-, regio- and stereo-selective aerial oxidation of limonene to the endo-1,2-epoxide over Mn(Salen)-sulfonated SBA-15}, journal = {Applied Catalysis A-General}, volume = {309}, number = {1}, year = {2006}, month = {JUL}, pages = {144-154}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mn(Salen) complexes immobilized on sulfonic acid-functionalized SBA-15 molecular sieves (SBA-15-pr-SO3-Mn(Salen)) catalyze the Mukaiyama-type oxidation of R-(+)-limonene selectively to the 1,2-epoxide with molecular oxygen at 298 K (Salen = N,N-ethylenebis(salicylidenaminato)). The endo-diastereomer is formed with a diasteromeric excess of 39.8\%. This catalyst exhibited higher catalytic activity than {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} Mn(Salen) complexes directly supported on SBA-15 or zeolite-Y. A change in the oxidation state of Mn from +3 in the {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} complex to +2 when immobilized on the sulfonated surface is a probable cause for the observed enhancement of catalytic activity. A part of the Mn complexes was leached out of the solid phase during the reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {aerial oxidation of limonene, catalysis by Mn(Salen) complexes, chemo-, immobilized Mn Schiff base complexes, Mesoporous molecular sieves, Mukaiyama-type oxidation, regio- and stereo-selective epoxidation, sulfonic acid-functionalized SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.011}, author = {Saikia, Lakshi and Srinivas, D. and Ratnasamy, Paul} } @article { ISI:000239818300010, title = {Clay-mediated selective hydrolysis of 5 {\textquoteleft}-O-acetyl-2 {\textquoteleft},3 {\textquoteleft}-isopropylidene/cyclohexylidene nucleosides}, journal = {Synthetic Communications}, volume = {36}, number = {16}, year = {2006}, month = {AUG}, pages = {2321-2327}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

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

}, keywords = {5-O-acetylnucleosides, isopropylidene-nucleoside hydrolysis, montmorillonite K 10}, issn = {0039-7911}, doi = {10.1080/00397910600639968}, author = {Gurjar, Mukund K. and Mondal, Dhananjoy and Ravindranadh, S. V. and Chorghade, Mukund S.} } @article { ISI: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:000237716500031, title = {Comparison of flow structures in spacer-filled flat and annular channels}, journal = {Desalination}, volume = {191}, number = {1-3}, year = {2006}, note = {International Congress on Membranes and Membrane Processes, Seoul, SOUTH KOREA, AUG 21-26, 2005}, month = {MAY}, pages = {236-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Spacers are designed to create directional changes in the flow through membrane modules. Such secondary flow structures reduce concentration polarization and membrane fouling. Obviously, type of the spacer used in membrane modules strongly influences the resulting flow and therefore performance of the module. In this work, we have modeled detailed fluid dynamics of spacer filled channels by using the {\textquoteleft}unit cell{\textquoteright} approach. The validated computational fluid dynamics (CFD) model was used to evaluate performance of certain spacer shapes and compare the resulting fluid dynamics in flat and curved channels. The simulations show that fluid flow behavior in a spacer-filled flat and a spiral channel was not significantly different. This means that pressure drops and mass transfer coefficients measured in flat channels may provide adequate guidelines, which would also be valid for spiral-wound modules. The results presented in this work will have significant implications for identifying improved spacers with higher propensities to reduce fouling in membrane modules.

}, keywords = {annular channel, CFD, flat channel, membrane spacers}, issn = {0011-9164}, doi = {10.1016/j.desal.2006.03.003}, author = {Ranade, Vivek V. and Kumar, Anil} } @article { ISI:000237934700044, title = {Computational fluid dynamics simulation of the solid suspension in a stirred slurry reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {45}, number = {12}, year = {2006}, month = {JUN}, pages = {4416-4428}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A comprehensive computational fluid dynamics CFD model was developed in the present study to gain insight into the solid suspension in a stirred slurry reactor. The preliminary simulations highlighted the need for the correct modeling of the interphase drag force. A two-dimensional model problem was then developed using CFD to understand the influence of free stream turbulence on the particle drag coefficient. The proposed correlation was then incorporated in a two-fluid model (Euler-Euler) along with the standard k-epsilon turbulence model with mixture properties to simulate the turbulent solid-liquid flow in a stirred reactor. A multiple reference frame approach was used to simulate the impeller rotation in a fully baffled reactor. A computational model was mapped on to a commercial CFD solver FLUENT6.2 (of Fluent Inc., USA). The model predictions were compared with the published experimental data of Yamazaki et al. [Powder Technol. 1986, 48, 205] and Godfrey and Zhu [AIChE Symp. Ser. 1994, 299, 181]. The predicted results show reasonably good agreement with the experimental data. The computational model and results discussed in this work would be useful for extending the applications of CFD models for simulating large stirred slurry reactors.

}, issn = {0888-5885}, doi = {10.1021/ie050941q}, author = {Khopkar, A. R. and Kasat, Gopal R. and Pandit, A. B. and Ranade, V. V.} } @article {43212, title = {Concise asymmetric route to the antibiotic macrolides patulolide A and pyrenophorin}, journal = {Tetrahedron Letters}, volume = {47}, year = {2006}, month = {SEP}, pages = {6623-6626}, abstract = {In this letter, we describe an enantiospecific route to patulolide A and pyrenophorin through the synthesis of known protected seco acid precursors starting from commercially available (S)-ethyl lactate. (c) 2006 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2006.07.026}, author = {Rao, K. Srinivasa and Reddy, D. Srinivasa and Mukkanti, K. and Pal, Manojit and Iqbal, Javed} } @article { ISI:000243251100006, title = {Conducting polymer based hybrid nano-composites for enhanced corrosion protective coatings}, journal = {Progress in Organic Coatings}, volume = {57}, number = {4}, year = {2006}, month = {DEC}, pages = {332-336}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Hybrid composite coatings containing zinc oxide (ZnO) and polyaniline (PANI) as nano-additives dispersions were prepared with poly(vinyl acetate) (PVAc) as the major matrix. The steel plates dip-coated with these formulations were tested for corrosion protection by immersion in saline water over long periods. The Tafel plots for the determination of open circuit potential (OCP) and corrosion current (I-corr) were recorded. The coatings containing both ZnO and PANI showed improved corrosion resistance as compared to the single component coating. The I-corr values of PVAc-ZnO-PANI are found to be two-order magnitude lower than that of PVAc and PVAc-ZnO coatings. The results are explained on the basis of enhancement in barrier properties due to nano-particulate additives in PVAc-ZnO-PANI film together with the redox behaviour of PANI and protective oxide layer formation near the substrate. (C) 2006 Elsevier B.V All rights reserved.

}, keywords = {Coatings, corrosion, nano-additives, polyaniline, ZnO}, issn = {0300-9440}, doi = {10.1016/j.porgcoat.2006.09.012}, author = {Patil, R. C. and Radhakrishnan, S.} } @article { ISI:000239324300008, title = {Conformation and microenvironment of the active site of a low molecular weight 1,4-beta-D-glucan glucanohydrolase from an alkalothermophilic thermomonospora sp.: involvement of lysine and cysteine residues}, journal = {Biochemical and Biophysical Research Communications}, volume = {347}, number = {2}, year = {2006}, month = {AUG}, pages = {428-432}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Conformation and microenvironment at the active site of 1,4-beta-D-glucan glucanohydrolase was probed with fluorescent chemo-affinity labeling using o-phthalaldehyde. OPTA has been known to form a fluorescent isoindole derivative by cross-linking the proximal thiol and amino groups of cysteine and lysine. Modification of lysine of the enzyme by TNBS and of cysteine residue by PHMB abolished the ability of the enzyme to form an isoindole derivative with OPTA. Kinetic analysis of the TNBS and PHMB-modified enzyme suggested the presence of essential lysine and cysteine residues, respectively, at the active site of the enzyme. The substrate protection of the enzyme with carboxymethylcellulose (CMC) confirmed the involvement of lysine and cysteine residues in the active site of the enzyme. Multiple sequence alignment of peptides obtained by tryptic digestion of the enzyme showed cysteine is one of the conserved amino acids corroborating the chemical modification studies. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {1, 4-beta-D-glucan glucanohydrolase, active site microenvironment, Cysteine, lysine, OPTA, PHMB, Thermomonospora sp., TNBS}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2006.06.100}, author = {Jagtap, Sharmili and Rao, Mala} } @article { ISI:000241508000039, title = {Control of stereoselectivity in 4-tert-butylphenol hydrogenation over a carbon-supported rhodium catalyst by carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {35}, number = {9}, year = {2006}, month = {SEP}, pages = {1060-1061}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

cis-4-tert-Butylcyclohexanol was obtained with a high cis ratio (cis/(cis + trans) = 0.9) in the hydrogenation of 4-tert-butylphenol over a carbon-supported rhodium catalyst along with hydrochloric acid in supercritical carbon dioxide solvent.

}, issn = {0366-7022}, doi = {10.1246/cl.2006.1060}, author = {Hiyoshi, Norihito and Mine, Eiichi and Rode, Chandrashekhar V. and Sato, Osamu and Ebina, Takeo and Shirai, Masayuki} } @article { ISI:000238298100027, title = {Co-precipitation technique for the preparation of ferroelectric BaBi2Ta2O9}, journal = {Materials Chemistry and Physics}, volume = {98}, number = {2-3}, year = {2006}, month = {AUG}, pages = {344-346}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A simple co-precipitation technique had been successfully applied for the preparation of pure ultrafine single phase BaBi2Ta2O9 (BBT). Ammonium hydroxide and ammonium oxalate were used to precipitate Ba2+, Bi3+ and Ta5+ cations simultaneously. No pyrochlore phase was found while heating powder at 800 degrees C and pure BaBi2Ta2O9 phase was found to be formed by X-ray diffraction. Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at 1 kHz is 350. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.09.036}, author = {Dhage, S. R. and Pasricha, R. and Murugan, A. Vadivel and Ravi, V.} } @article { ISI:000234951400014, title = {Coprecipitation technique to prepare LiTaO3 powders}, journal = {Materials Letters}, volume = {60}, number = {8}, year = {2006}, month = {APR}, pages = {1047-1048}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

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

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

}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02706488}, author = {Murugan, A. Vadivel and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000236996200020, title = {Crystalline phases in nylon-11: studies using HTWAXS and HTFTIR}, journal = {Macromolecules}, volume = {39}, number = {8}, year = {2006}, month = {APR}, pages = {2841-2848}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0024-9297}, doi = {10.1021/ma052597e}, author = {Nair, S. S. and Ramesh, C. and Tashiro, K.} } @article { ISI:000236470000018, title = {Crystallization and preliminary X-ray characterization of a thermostable low-molecular-weight 1,4-beta-D-glucan glucohydrolase from an alkalothermophilic thermomonospora sp.}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {62}, number = {4}, year = {2006}, month = {APR}, pages = {385-387}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

{Cellulases catalyze the hydrolysis of beta-1,4-glycosidic linkages within cellulose, the most abundant organic polymer on earth. The cellulase (TSC; EC 3.2.1.4) from an alkalothermophilic Thermomonospora sp. has a low molecular weight of 14.2 kDa. It is optimally active at 323 K and stable over the wide pH range of 5 - 9. Moreover, it has bifunctional activity against cellulose and xylan polymers. In this study, TSC was purified from the native source and crystallized by the hanging-drop vapour-diffusion method. The crystals belong to the orthorhombic space group P2(1)2(1)2(1), with unit-cell parameters a = 49.9

}, issn = {1744-3091}, doi = {10.1107/S1744309106007949}, author = {Manikandan, K. and Jagtap, Sharmili and Rao, M. and Ramakumar, S.} } @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 { ISI:000240713700017, title = {Direct hydrothermal synthesis of highly ordered Sn-SBA-15 mesoporous materials}, journal = {Chemistry Letters}, volume = {35}, number = {8}, year = {2006}, month = {AUG}, pages = {860-861}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Well-ordered Sn4+-incorporated mesoporous silica SBA-15 samples have been synthesized from tetraethyl orthosilicate (TEOS) and SnCl4 (Si/Sn = 114-15) using nonionic surfactants under a slightly higher pH medium (optimum H2O to HCl molar ratio) and characterized by XRD (an increase in lattice parameter), TEM (no SnO2 species) and UV-vis spectral (absorption at 211 nm) techniques to show that Sn4+ ions are in tetrahedral coordination in Sn-SBA-15.

}, issn = {0366-7022}, doi = {10.1246/cl.2006.860}, author = {Shah, Pallavi and Ramaswamy, Arumugamangalam V. and Ramaswamy, Veda} } @article { ISI:000241849000022, title = {Direct somatic embryogenesis and plant regeneration in Garcinia indica Choiss}, journal = {Current Science}, volume = {91}, number = {8}, year = {2006}, month = {OCT}, pages = {1074-1078}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

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

}, keywords = {Garcinia indica, guttifereae, seeds, somatic embryos}, issn = {0011-3891}, author = {Thengane, Shubhada Ratnakar and Deodhar, Swapna R. and Bhosle, S. V. and Rawal, S. K.} } @article { ISI: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:000238329100003, title = {Effect of thermal annealing on Fe40Ni38B18Mo4 thin films: modified Herzer model for magnetic evolution}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {1993-2000}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Magnetic properties of nano-crystalline soft magnetic alloys have usually been correlated to structural evolution with heat treatment. However, literature reports pertaining to the study of nano-crystalline thin films are less abundant. Thin films of Fe40Ni38B18Mo4 were deposited on glass substrates under a high vacuum of approximate to 10(-6) Torr by employing resistive heating. They were annealed at various temperatures ranging from 373 to 773K based on differential scanning calorimetric studies carried out on the ribbons. The magnetic characteristics were investigated using vibrating sample magnetometry. Morphological characterizations were carried out using atomic force microscopy (AFM), and magnetic force microscopy (MFM) imaging is used to study the domain characteristics. The variation of magnetic properties with thermal annealing is also investigated. From AFM and MFM images it can be inferred that the crystallization temperature of the as-prepared films are lower than their bulk counterparts. Also there is a progressive evolution of coercivity up to 573 K, which is an indication of the lowering of nano-crystallization temperature in thin films. The variation of coercivity with the structural evolution of the thin films with annealing is discussed and a plausible explanation is provided using the modified random anisotropy model.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/10/002}, author = {Hysen, T. and Deepa, S. and Saravanan, S. and Ramanujan, R. V. and Avasthi, D. K. and Joy, Pattayil Alias and D Kulkarni, S. and Anantharaman, Maliemadom R.} } @article {42586, title = {Electrical bistability in a xanthene class molecule: conduction mechanisms}, journal = {Applied Physics Letters}, volume = {89}, year = {2006}, month = {OCT}, pages = {Article No: 142110}, abstract = {

The author study conduction mechanism in two conducting states of a bistable device at range. They find that in the electrical bistable devices, electrical switching is associated with a change in the conduction mechanism. Device current in the low-conducting state follows an injection-limited mechanism. The current in the high-conducting state conforms a bulk-dominated mechanism, namely, space-charge limited conduction with an exponential distribution of traps. The bistability has an associated memory phenomenon. The devices exhibit read-only and random-access memory applications for several hours.

}, doi = {10.1063/1.2358946}, author = {Rath, Arup Kumar and Sahu, Satyajit and Pal, Amlan J.} } @article { ISI:000238030200026, title = {Electrochemical organization of monolayer protected gold nanoclusters on single-walled carbon nanotubes: significantly enhanced double layer capacitance}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {5}, year = {2006}, month = {MAY}, pages = {1387-1391}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

This paper reports a novel electrochemical route for anchoring monolayer protected gold nanoclusters (size 8 +/- 0.2 nm) on single-walled carbon nanotube bundles, resulting in the formation of hybrid materials. Monolayer protected gold nanoclusters prepared by modified Brust synthesis route were organized on SWNT bundles by cycling-the potential in dichloromethane between -1 to +1 V at a scan rate of 50 mV/s. Monolayer protected nanoclusters in electrolyte solutions possess ionic space charge around them (double layer charging), making them suitable for organization on nanotube bundles, by tuning the electrostatic interactions. More significantly, analysis of the double layer capacitance of these hybrid materials shows almost ten times increase in capacitance compared to that of bare SWNT bundles. We believe that these hybrid materials are potentially useful in nanoelectronics.

}, keywords = {double layer capacitance, double layer charging, hybrid materials, monolayer protected gold nanoclusters, single-walled carbon nanotubes}, issn = {1533-4880}, doi = {10.1166/jnn.2006.323}, author = {Mahima, Subhramanyam and Chaki, N. K. and Sharma, J. and Kakade, Bhalchandra A. and Pasricha, R. and Rao, A. M. and Vijayamohanan, K.} } @article { ISI:000239555500035, title = {Enhancing cross-peak intensity in 2D-SLF spectroscopy - the role of equilibrium carbon magnetization in cross-polarization experiment}, journal = {Chemical Physics Letters}, volume = {426}, number = {4-6}, year = {2006}, month = {AUG }, pages = {422-425}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A modification to the standard Hartmann-Hahn cross-polarization experiment has been proposed in which the initial 90 degrees pulses are applied both on the I and S spins. The inclusion of the available equilibrium polarization in the static magnetic field for the S spins is shown to have a beneficial effect for the 2D-SLF experiment, contributing to an increase in the cross-peak intensity and hence to a better resolution of the dipolar cross-peaks. (c) 2006 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2006.04.069}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Ramanathan, K. V.} } @article { ISI:000239718900005, title = {Epoxidation of indene and cyclooctene on nanocrystalline anatase titania catalyst}, journal = {Topics in Catalysis}, volume = {38}, number = {4}, year = {2006}, note = {19th Meeting of the North-American-Catalysis-Society (NAM), Philadelphia, PA, MAY 22-27, 2005}, month = {AUG}, pages = {251-259}, publisher = {N Amer Catalysis Soc}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Nanocrystalline anatase titania samples of different crystallite sizes were prepared by sol gel method using ultrasonication and calcination at different temperatures. The calcined samples were treated with H2O2 in order to study the role of surface hydroxyl groups present on titania in generating reactive oxygen species responsible for the epoxidation reaction. The crystallite size of the calcined samples increased from 4 to 18 nm as the calcination temperature increased from 473 to 773 K, respectively. 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 TiO2 by using ultrasonication. EPR spectral data on the H2O2-treated samples confirmed the presence of superoxide radical species. The two distinct UV bands observed at 400 and 450 nm are assigned to charge transfer of peroxide (O-2 2-) to Ti. FT-IR spectral data show that the surface hydroxyl groups are the active sites in the generation of reactive oxygen species. The catalytic activity was evaluated in a series of epoxidation reactions using indene and cyclooctene as substrates and aqueous H2O2 as oxidant. The activity was found to decrease with increase in the calcination temperature of the samples, obviously due to an increase in crystallite size and a decrease in surface hydroxyl groups. The nanoparticle titania samples show better conversion and selectivity than the standard titania (Degussa P-25). The kinetic studies revealed that the reaction followed a pseudo first order kinetics in excess of H2O2.

}, keywords = {cyclooctene epoxidation, epoxidation of indene, nanocrystalline anatase titania, superoxide radical on titania}, issn = {1022-5528}, doi = {10.1007/s11244-006-0023-8}, author = {Ramaswamy, Veda and Awati, Preeti and Ramaswamy, A. V.} } @article { ISI:000241767100009, title = {Eu3+ doped lanthanum oxide nanowhiskers: microwave hydrothermal synthesis, characterization and photoluminescence properties}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {18}, year = {2006}, month = {SEP}, pages = {3974-3977}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We report here a straightforward and rapid microwave - hydrothermal route providing an easy synthesis of Eu3+ doped La2O3 nanowhiskers. The nanostructured Eu3+ doped La2O3 is characterized by x-ray diffraction studies, scanning electron microscopy and photoluminescence (PL). The emission spectrum shows transitions from the excited 5D(0) state to F-7(J) (J = 0, 1, 2, 3, 4) levels of the Eu3+ ion. The most intense peak around 611 nm is due to the D-5(0) -\> F-7(2) transition, expected from the Judd-Ofelt selection rules. PL spectra measurements demonstrate that the lanthanum oxide nanowhisker shows higher PL intensity.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/18/008}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Kakade, Bhalchandra A. and Ravi, V. and Saaminathan, V.} } @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:000239326400005, title = {Fe-Zn double-metal cyanide complexes as novel, solid transesteritication catalysts}, journal = {Journal of Catalysis}, volume = {241}, number = {1}, year = {2006}, month = {JUL}, pages = {34-44}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Fe-Zn double-metal cyanide complexes are currently used as catalysts for the ring-opening polymerization of epoxides, as well as the coupling of epoxides and CO2 for the production of polycarbonates. We report their novel application as highly efficient solid catalysts for the transesterification reactions of carbonates. The catalysts were prepared from aqueous solutions of ZnCl2 and K4Fe(CN)(6) in the presence of tert-butanol (complexing agent) and tri-block copolymer EO20PO70EO20 (average molecular weight, 5800; co-complexing agent). They were characterized by chemical analysis, XRD, thermal analysis, N-2 adsorption, magnetic susceptibility, SEM, and FTIR, diffuse reflectance UV-visible, EPR, and X-ray photoelectron spectroscopies. Their acidity was determined from the IR spectra of adsorbed pyridine and the temperature-programmed desorption of NH3. Catalyst samples prepared with both complexing and co-complexing agents were found to be more acidic and catalytically active than those prepared without these agents. These catalysts are more active/selective than other solid catalysts hitherto reported. Dimethyl carbonate, for example, could be synthesized with 100\% selectivity and an isolated yield of \>86\% by the reaction of propene carbonate with methanol. The catalysts can be recycled without significant loss in activity. Lewis acidic Zn ions are the possible active sites for the transesterification reaction. (c) 2006 Published by Elsevier Inc.

}, keywords = {cyclic carbonate, Dimethyl carbonate, double metal cyanide Fe-Zn complexes, organic carbonate, transesterification catalyst}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.04.002}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @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: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 {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:000241179400014, title = {Hybrid foldamer with unique architecture from conformationally constrained aliphatic-aromatic amino acid conjugate}, journal = {Tetrahedron}, volume = {62}, number = {43}, year = {2006}, month = {OCT}, pages = {10141-10146}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Amino acids, Conformation, Foldamer, Peptidomimetics}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.08.032}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article {42595, title = {Hydrogen bonding and rate enhancement in the photoinduced polymerization of telechelic urethane methacrylates based on a cycloaliphatic system: tricyclodecane dimethanol}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {44}, year = {2006}, month = {AUG}, pages = {4384{\textendash}4395}, type = {Article}, abstract = {

A new class of telechelic urethane methacrylic crosslinkers, based on a cycloaliphatic system (tricyclodecane dimethanol and tricyclodecane monomethanol), was synthesized. The synthesis was achieved by a two-step condensation of 1,6-hexamethylene diisocyanate or isophorone diisocyanate with tricyclodecane dimethanol and capping with hydroxyethyl methacrylate. Samples of hexanediol diacrylate, tricyclodecane monomethacrylate, and tricyclodecane dimethacrylate were used as non-hydrogen-bonding monomers for comparative studies of the curing kinetics. The photopolymerization of these telechelic systems was investigated with UV irradiation in the presence of 2,2-diethoxy acetophenone as the photoinitiator, and the kinetics were followed by the monitoring of the double-bond conversion at 815 cm-1 with Fourier transform infrared spectroscopy. The hydrogen-bonded crosslinkers had higher double-bond conversions than their non-hydrogen-bonded counterparts under identical conditions. The higher cure rate could be explained by hydrogen-bonding preassociation in these systems, which brought the methacrylate double bonds within close proximity. The temperature effects on the hydrogen bonding were also investigated. A decrease in the extent of the double-bond conversion with increasing temperature was observed for the hydrogen-bonded crosslinker, in contrast to an increased conversion with temperature for hexanediol diacrylate and tricyclodecane dimethacrylate. This was directly indicative of a reduction of hydrogen bonding at elevated temperatures leading to lower conversions. {\textcopyright} 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 4384{\textendash}4395, 2006

}, doi = {10.1002/pola.21533}, author = {Deepak, V. D. and Rajan, J. and Asha, S. K.} } @article { ISI:000242010600002, title = {Hydrophobic, solid acid catalysts for production of biofuels and lubricants}, journal = {Applied Catalysis A-General}, volume = {314}, number = {2}, year = {2006}, month = {NOV}, pages = {148-159}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel application of Fe-Zn double-metal cyanide (DMC) complexes as solid catalysts in the preparation of fatty acid alkyl esters (biodiesel/biolubricants) from vegetable oils is reported. The catalysts are hydrophobic (no H2O adsorption at reaction temperatures) and contain only Lewis acidic sites (NH3 and pyridine adsorption). Bronsted acid sites are absent (absence of 1546 and 1639 cm(-1) bands on adsorption of pyridine). Basic sites are also absent (no CO2 adsorption). Unlike the homogeneous or other solid catalysts (like ZnO-Al2O3, for example), the Fe-Zn, DMC catalysts are highly active even for the simultaneous transesterification of triglycerides and esterification of the free fatty acids (FFA) present in unrefined and waste cooking oils as well as non-edible oils. They are also tolerant of water, probably, due to their surface hydrophobicity. A relationship between the transesterification activity and the concentration of strong Lewis acid sites has been observed. Coordinatively unsaturated Zn2+ ions in the structure of the Fe-Zn complex are the probable active sites. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {alcoholysis of vegetable oils, Biodiesel, Biolubricants, double-metal cyanides (DMC), esterification of free fatty acids, fatty acid alkyl esters, fatty acid methyl esters, solid Fe-Zn catalysts, transesterification of vegetable oils}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.08.012}, author = {Sreeprasanth, Pulinthanathu Sree and Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000241506400143, title = {Intact cell MALDI mass spectrometry as a tool to screen drugs in vivo for regulation of protein expression}, journal = {Molecular \& Cellular Proteomics}, volume = {5}, number = {10, S}, year = {2006}, month = {OCT}, pages = {S62}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, type = {Meeting Abstract}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, issn = {1535-9476}, author = {Kulkarni, Mahesh J. and Vinod, V. P. and Umashankar, P. K. and Patole, M. and Rao, M.} } @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 {Rai, title = {Liquid phase oxidation of alkanes using Cu/Co-perchlorophthalocyanine immobilized MCM-41 under mild reaction conditions}, journal = {Applied Catalysis A-General}, volume = {297}, number = {2}, year = {2006}, month = {JAN}, pages = {220-230}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

{Amino-functionalized MCM-41 (NH2-MCM-41) was used to immobilize CU/CO-Cl16PC complex, i.e. Cu/Co-AM(PS) for liquid phase oxidation of alkanes under mild reaction conditions. Higher rates of reaction and better catalytic activity values were obtained for Cu/Co-AM(PS) as compared to Cu/Co-Cl16PC grafted on (i) amino-functionalized SiO2 [

}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.apcata.2005.09.012}, author = {Karandikar, Prashant R. and Chandwadkar, Asha J. and Agashe, M. and Ramgir, N. S. and Sivasanker, S.} } @article { ISI:000239869200024, title = {Low temperature hydrogenation of tetralin over supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {194-198}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrogenation of tetralin was studied over supported rhodium catalysts in supercritical carbon dioxide solvent at 333 K. The results were compared with those in an organic solvent and under neat conditions. Higher cis-decalin yield was obtained in supercritical carbon dioxide solvent than under non-supercritical conditions. It was observed that higher hydrogen concentration at the surface in supercritical carbon dioxide solvent led to fast direct hydrogenation of tetralin to cis-decalin; the flipping of the intermediate, octalin, to give trans-decalin could be prevented. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {cis-decalin, Hydrogen storage, Hydrogenation, Supercritical carbon dioxide, supported rhodium catalysts, tetralin}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.040}, author = {Hiyoshi, Norihito and Mine, Eiichi and Rode, Chandrashekhar V. and Sato, Osamu and Shirai, Masayuki} } @article { ISI:000235439900024, title = {Low temperature route to prepare LaMnO3}, journal = {Materials Letters}, volume = {60}, number = {9-10}, year = {2006}, month = {MAY}, pages = {1213-1214}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Chemical synthesis, LaMnO3, Precipitation, transmission electron microscopy, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.002}, author = {Daundkar, A. and Kale, Sangeeta N. and Gokhale, Suresh P. and Ravi, V} } @article { ISI:000239573100068, title = {Minimum magnetizability principle}, journal = {Journal of Chemical Physics}, volume = {125}, number = {5}, year = {2006}, month = {AUG }, pages = {Article No. 056101}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0021-9606}, doi = {10.1063/1.2227381}, author = {Tanwar, Akhilesh and Pal, Sourav and Roy, Debesh Ranjan and Chattaraj, Pratim Kumar} } @article { ISI:000236715600020, title = {Modeling of rotary cement kilns: applications to reduction in energy consumption}, journal = {Industrial \& Engineering Chemistry Research}, volume = {45}, number = {7}, year = {2006}, month = {MAR}, pages = {2315-2330}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Rotary cement kilns are used for converting calcineous raw meal into cement clinkers. In this paper, we discuss and evaluate possible ways of reducing energy consumption in rotary cement kilns. A comprehensive one-dimensional model was developed to simulate complex processes occurring in rotary cement Kilns. A modeling strategy comprising three submodels. viz. a model for simulating the variation of bed height in the kiln, a model for simulating reactions and heat transfer in the bed region, and a model for simulating coal combustion and heat transfer in the freeboard region, was developed. Melting and formation of coating within the kiln were accounted for. Combustion of coal in the freeboard region was modeled by accounting for devolatilization, finite-rate gas-phase combustion, and char reaction. The simulated results were validated with the available data from three industrial kilns. The model was then used to understand the influence of various design and operating parameters on kiln performance. Several ways of reducing energy consumption in kilns were then computationally investigated. The model was also used to propose and to evaluate a practical solution of using a secondary shell to reduce energy consumption in rotary cement kilns. Simulation results indicate that varying kiln operating variables, viz. solid flow rate or RPM, can result only in small changes in kiln energetics. Use of a secondary shell over the kiln and energy recovery by passing air through the annular gap between the two appears to be a promising way to achieve significant energy savings. The developed model and the presented results will be useful for enhancing the performance of rotary cement kilns.

}, issn = {0888-5885}, doi = {10.1021/ie050617v}, author = {Mujumdar, Kaustubh S. and Arora, Amit and Ranade, V. V.} } @article { ISI:000241320000002, title = {Nature and mode of addition of phosphate precursor in the synthesis of aluminum phosphate and its influence on methanol dehydration to dimethyl ether}, journal = {Catalysis Communications}, volume = {7}, number = {10}, year = {2006}, month = {OCT}, pages = {745-751}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Four aluminum phosphate catalysts with Al/P = 1 were prepared by precipitation of mixture of aluminum nitrate and phosphate precursor (either phosphoric acid or diammonium hydrogen phosphate) with NH3 and precipitation of aluminum nitrate with NH3 followed by impregnation of phosphate precursor (either phosphoric acid or diammonium hydrogen phosphate). The catalysts were characterized, using different physico-chemical methods viz., BET-S.A., XRD, FT-IR, and NH3-TPD. Al-27 and P-31 MAS NMR spectroscopy was used to characterize selected catalysts in order to find out the presence of Al and P environments. The catalytic conversion of methanol to dimethyl ether was conducted over these catalysts in a temperature range of 448-548 K at atmospheric pressure. AIPO(4) prepared by precipitating the mixture of aluminum nitrate and (NH4)(2)HPO4 with aq. NH3 generated more number of moderate acid sites and showed higher methanol dehydration activity with 100\% selectivity to DME at 548 K. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Al-27 and P-31 MAS NMR, aluminum phosphate, dehydration, dimethyl ether, Methanol, NH3-TPD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.02.025}, author = {Kumar, V. Siva and Padmasri, A. H. and Satyanarayana, C. V. V. and Reddy, I. Ajit Kumar and Raju, B. David and Rao, K. S. Rama} } @article { ISI: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: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:000239159600002, title = {Oxidation of aniline over titania pillared montmorillonite clays}, journal = {Applied Clay Science}, volume = {33}, number = {2}, year = {2006}, month = {JUL}, pages = {89-98}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Titania pillared clays (Ti-PILC) have been synthesized employing conventional stirring (method I) and ultrasonic agitation (method II) techniques followed by hydrothermal treatment. The characterization results revealed the formation of Ti-PILC with significant reduction of time when ultrasonic method was used. Subsequent hydrothermal treatment on the samples has resulted in the increase in the crystallinity and the transformation of anatase TiO2 to rutile TiO2. The rutile phase is more prominent in the samples prepared by stirring method. UV-Vis studies on the samples exhibit blue shift in the absorption band due to the quantum size effect. This indicates that a major part of TiO2 in the pillared clay could be well below 10 nm in size, which is supported by XRD and the average pore size. The pillared clay catalysts have proved to be promising in aniline oxidation with H2O2, selectively forming azoxybenzene under the working conditions. The aniline conversion and the product distribution largely depended on the catalyst concentration, H2O2 to aniline mole ratio, the nature of the solvent and the oxidant. Higher conversion of aniline and greater selectivity for azoxybenzene was obtained with methanol as the solvent. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {aniline oxidation, Azoxybenzene, hydrothermal treatment, pillared clays}, issn = {0169-1317}, doi = {10.1016/j.clay.2006.04.001}, author = {Jagtap, Neelam and Ramaswamy, Veda} } @article { ISI:000237651600007, title = {Palladium mediated cycloisomerization of sugar alkynols: synthesis of cyclic enol-ethers and spiroketals}, journal = {Tetrahedron Letters}, volume = {47}, number = {22}, year = {2006}, month = {MAY}, pages = {3649-3652}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {c-alkynylfuranose, cycloisomerization, enol-ether, Palladium, Spiroketal}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.143}, author = {Ramana, C. V. and Mallik, Rosy and Gonnade, Rajesh G. and Gurjar, Mukund K.} } @article { ISI:000237158200003, title = {Phase evolution of NiTiO3 prepared by coprecipitation method}, journal = {Materials Letters}, volume = {60}, number = {15}, year = {2006}, month = {JUL}, pages = {1791-1792}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple coprecipitation technique was used for the preparation of NiTiO3 powders. Ammonium carbonate solution was added to a solution mixture containing stoichiometric amounts of Ni(NO3)(2) and TiOCl2 to precipitate nickel as carbonate and titanium as hydroxide under basic conditions. The precipitate was calcined at different temperatures ranging from 100 to 800 degrees C and phase evolution of NiTiO3 was investigated by X-ray diffraction (XRD) studies. It is observed that nickel titanate was formed at 750 degrees C. For comparison, NiTiO3 was also prepared by standard ceramic process. Particle size and morphology was studied by transmission electron microscopy (TEM). (c) 2005 Elsevier B.V. All fights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, NiTiO3, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.12.023}, author = {Murugan, A. Vadivel and Samuel, V. and Navale, S. C. and Ravi, V.} } @article { ISI:000240680300119, title = {Photoluminescence studies of Eu3+ doped Y2O3 nanophosphor prepared by microwave hydrothermal method}, journal = {Applied Physics Letters}, volume = {89}, number = {12}, year = {2006}, month = {SEP}, pages = {123120}, 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 letter, the authors report the photoluminescence studies of Eu3+ doped Y2O3 nanorods, which have been synthesized by rapid microwave hydrothermal route within 6 min. The nanostructured Eu3+ doped Y2O3 is characterized by x-ray diffraction, transmission electron microscopy, and photoluminescence. The emission spectrum shows transitions from the excited 5D(0) state to F-7(J) (J=0,1,2,3,4) levels of the Eu3+ ion. The most intense peak around 612 nm is due to the D-5(0)-\> F-7(2) transition, expected from the Judd-Ofelt selection rules [B. R. Judd, Phys. Rev. 127, 750 (1962); G. S. Ofelt, J. Chem. Phys. 37, 511 (1962)]. Photoluminescence measurements demonstrated that the nanocrystalline Eu3+:Y2O3 phase shows higher photoluminescence intensity. (c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2356694}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Ravi, V. and Kakade, Bhalchandra A. and Saaminathan, V.} } @article { ISI:000243088200025, title = {Photooxidation of vulcanized EPDM/montmorillonite nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {3033-3039}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

}, issn = {0022-152X}, author = {Muthukrishnan, Murugan and More, Shivaji V. and Garud, Dinesh R. and Ramana, C. V. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000241106900008, title = {Preparation and characterization of sulfonated syndiotactic polystyrene ionomers/organoclay nanocomposites}, journal = {Macromolecules}, volume = {39}, number = {21}, year = {2006}, month = {OCT}, pages = {7199-7203}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0024-9297}, doi = {10.1021/ma061471u}, author = {Govindaiah, P. and Mallikarjuna, S. R. and Ramesh, C.} } @article { ISI:000242427200014, title = {Preparation and characterization of urea-formaldehyde-pepsin bioconjugate: a new biocatalyst system}, journal = {Biotechnology Progress}, volume = {22}, number = {6}, year = {2006}, month = {DEC}, pages = {1585-1590}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

This study describes the synthesis of urea formaldehyde (UF) microspheres by a dispersion polycondensation polymerization method. These microspheres with proper F/U molar ratio can provide highly reactive groups, capable of further condensation with the amino acid residues of enzyme/proteins. Presence of methylols groups in UF microspheres was confirmed by C-13 NMR study. Pepsin, a proteolytic enzyme, was immobilized on the UF microspheres to form bioconjugate system. As compared to the free enzyme in solution, the pepsin in the bioconjugate system exhibited significantly enhanced pH and temperature stability. The urea-formaldehydepepsin bioconjugate system also exhibited excellent proteolytic activity over eight successive reuse cycles with more than 50\% of initial activity. A highlight of this new biocatalyst is the ease with which separation of this biocatalyst from the reaction medium may be achieved by mild centrifugation.

}, issn = {8756-7938}, doi = {10.1021/bp0602247}, author = {Vinod, V. P. and Shinde, Sudhirkumar and D{\textquoteright}Britto, Virginia and Shukla, P. G. and Rao, Mala} } @article { ISI:000239688400001, title = {Preparation and performance evaluation of EPDM nanocomposites under accelerated weathering}, journal = {Journal of Thermoplastic Composite Materials}, volume = {19}, number = {5}, year = {2006}, month = {SEP}, pages = {461-474}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

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

}, keywords = {carbonyl index, Degradation, EPDM, layered silicates, Nanocomposites, photooxidation}, issn = {0892-7057}, doi = {10.1177/0892705706062204}, author = {Rana, Sravendra and Tevtia, Amit K. and Kumar, Bijendra and Singh, R. P.} } @article { ISI:000234951400008, title = {Preparation of nanocrystalline ferroelectric BaBi4Ti4O15 by Pechini method}, journal = {Materials Letters}, volume = {60}, number = {8}, year = {2006}, month = {APR}, pages = {1023-1025}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A gel was formed when an aqueous solution of BaCl2, BiNO3, TiOCl2 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 600 degrees C produced the nano crystallites of ternary oxide, BaBi4Ti4O15 (BBT). The phase contents and lattice parameters were Studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at I KHz is 90. The ferroelectric hysteresis loop parameters of these samples were also studied by a home built Sawyer-tower circuit. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {dielectric properties, Electron microscopy, ferroelectric properties, powders chemical preparation}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.068}, author = {Murugan, A. Vadivel and Navale, S. C. and Ravi, V.} } @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:000241197300015, title = {Response characteristics of conducting polypyrrole bi-layer actuators: role of backing layer polymer}, journal = {Sensors and Actuators B-Chemical}, volume = {119}, number = {1}, year = {2006}, month = {NOV}, pages = {94-98}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The response of a bi-layer conducting polymer-based actuator has been studied with respect to various parameters such as backing layer thickness, backing layer modulus, applied voltage, etc. The bending angles for the bi-layer actuators made by depositing, conducting polypyrrole (PPy) films on backing layers using LDPE/LLDPE, SBS, Hytrel, PP, PET materials have been compared. The response of the bi-layer actuators indicates that there is optimum for the backing layer thickness as well as its material modulus together with the thickness of the conducting polymer at which the maximum bending is observed. Other geometrical parameters such as a length to width ratio also influence the response of these actuators and have to be chosen properly for the best actuator performance. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {actuator, bi-layer, conducting polymer, polypyrrole, response}, issn = {0925-4005}, doi = {10.1016/j.snb.2005.11.061}, author = {Radhakrishnan, S. and Kar, Swarnendu B.} } @article { ISI:000238416100033, title = {Ring hydrogenation of naphthalene and 1-naphthol over supported metal catalysts in supercritical carbon dioxide solvent}, journal = {Catalysis Today}, volume = {115}, number = {1-4}, year = {2006}, note = {8th International Conference on Carbon Dioxide Utilization, Univ Oslo, Oslo, NORWAY, JUN 20-23, 2005}, month = {JUN}, pages = {248-253}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Catalytic ring hydrogenations of naphthalene and 1-naphthol were studied over several supported metal catalysts in supercritical carbon dioxide solvent at low temperature. Higher concentration of hydrogen in supercritical carbon dioxide and lower reaction temperature were responsible for higher catalyst activity and selectivities to the desired partial ring hydrogenated products as compared with those observed in organic solvent for the same catalyst. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {1-naphthol, Hydrogenation, Naphthalene, Supercritical carbon dioxide, supported metal catalyst}, issn = {0920-5861}, doi = {10.1016/j.cattod.2006.02.048}, author = {Shirai, M. and Rode, C. V. and Mine, Eiichi and Sasaki, A. and Sato, O. and Hiyoshi, Norihito} } @article { ISI:000237003000008, title = {Role of dopant ions in electrocatalytic oxidation of methanol using conducting polypyrrole electrodes}, journal = {Journal of Power Sources}, volume = {155}, number = {2}, year = {2006}, month = {APR}, pages = {157-160}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Conducting polypyrrole electrodes obtained by electro-polymerization of pyrrole on vacuum metallized glass substrates are modified by doping with a range of metal halides as dopant ions having different electronegativity. Electro-oxidation of methanol using these electrodes is studied by means of cyclic voltammetry in 0.1 M HCiO(4) as supporting electrolyte. It is found that the electronegativity of the dopant ion plays a very important role in the electrocatalytic activity. Polypyrrole doped with zirconium chloride gives the highest anodic current of 10 mA cm(-2) at the oxidation potential of methanol. The results are explained on the basis of the charge-transfer efficiency at the electrode I electrolyte interface, which is associated with the acceptor state created by the dopant in the semi-conducting polymer. (c) 2005 Published by Elsevier B.V.

}, keywords = {conducting polymers, electrocatalysis, fuel cells, Methanol oxidation, polypyrrole}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2005.03.234}, author = {Radhakrishnan, S. and Adhikari, Arindam} } @article {18}, title = {Role of halide ions and temperature on the morphology of biologically synthesized gold nanotriangles}, journal = {Langmuir}, volume = {22}, number = {2}, year = {2006}, month = {JAN}, pages = {736-741}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{In this paper, we demonstrate the effect of halide ions on the formation of biogenically prepared gold nanotriangles using the leaf extract of lemongrass (Cymbopogonflextiosus) plant. We have also studied the effect of halide ions on the morphology of biogenic nanotriangles. It has been shown that iodide ions have a greater propensity to transform flat gold nanotriangles into circular disklike structures as compared to other halide ions. The study also suggests that the presence of Cl- ions during the synthesis promotes the growth of nanotriangles, whereas the presence of I- ions distorts the nanotriangle morphology and induces the formation of aggregated spherical nanoparticles. The change in the morphology of gold nanotriangles has been explained in terms of the ability of the halide ions to stabilize or inhibit the formation of (I 11) faces to form [

}, keywords = {DME steam reforming, fuel cells, Hydrogen, Mixed oxides, supported Ga2O3, XPS}, issn = {1520-6106}, doi = {10.1021/la052055q}, author = {Rai, A. and Singh, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000240439900043, title = {Selective hydrogenation of naphthols to tetralones over supported palladium catalysts in supercritical carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {35}, number = {7}, year = {2006}, month = {JUL}, pages = {780-781}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

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

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

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

}, keywords = {2, 6-xylenol, acidity-basicity, copper-manganese oxides, ortho-alkylation, phenol methylation, Spinels}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.07.014}, author = {Reddy, A. Satyanarayana and Gopinath, Chinnakonda S. and Chilukuri, Satyanarayana V.} } @article { ISI:000239224100005, title = {Silica-supported bis(imino)pyridyl iron(II) catalyst: nature of the support-catalyst interactions}, journal = {Polymer International}, volume = {55}, number = {8}, year = {2006}, month = {AUG}, pages = {854-861}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {anisotropy constant, Magnetism, Nanoparticles, Superparamagnetism, YIG}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.06.027}, author = {Rajendran, M. and Deka, Sasanka and Joy, Pattayil Alias and Bhattacharya, Asish K.} } @article { ISI:000239536200026, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {10}, year = {2006}, month = {OCT}, pages = {2451-2464}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Antioxidants, discoloration, ethylene-propylene copolymer, gamma-sterilization, stabilization, tensile properties}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.03.010}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000238111400026, title = {Syntheses of polycarbonate and polyurethane precursors utilizing CO2 over highly efficient, solid as-synthesized MCM-41 catalyst}, journal = {Tetrahedron Letters}, volume = {47}, number = {25}, year = {2006}, month = {JUN}, pages = {4213-4217}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {carbamates, carbon dioxide utilization, CO2 fixation, cyclic carbonates, eco-friendly processes, MCM-41, polycarbonates, polyurethanes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.04.057}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000241686000001, title = {Synthesis and characterization of main chain thermotropic liquid crystalline polyesters based on methyl 4-[4 {\textquoteleft}-(omega-hydroxyalkoxy)blphenyl-4-yl]-4-oxobutyrate: Effects of keto group and connectivity on mesophasic characteristics of biphenyl based AB-typ}, journal = {Reactive \& Functional Polymers}, volume = {66}, number = {10}, year = {2006}, month = {OCT}, pages = {1003-1013}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {AB approach, biphenyl mesogen, effect of connectivity, Liquid crystalline polyesters}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2006.01.019}, author = {Ranganathan, T. and Ramesh, C.} } @article { ISI:000241085200021, title = {Synthesis, characterization, and molecular modeling studies of novel polyurethanes based on 2,2 {\textquoteright}-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol and 2,2 {\textquoteright}-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol hard segments}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {44}, number = {20}, year = {2006}, month = {OCT}, pages = {6032-6046}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {amorphous, hard segments, molecular dynamics, Morphology, polyurethanes, Schiff base containing polymers, Thermal properties}, issn = {0887-624X}, doi = {10.1002/pola.21686}, author = {Raghu, A. V. and Gadaginamath, G. S. and Jawalkar, S. S. and Halligudi, Shivaraj B. and Aminabhavi, T. A.} } @article { ISI:000242204500017, title = {Synthesis of annularly functionalised BINOL-based chiral cyclophanes}, journal = {Journal of Chemical Research-S}, number = {10}, year = {2006}, month = {OCT}, pages = {671-674}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

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

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

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

}, doi = {10.1071/CH05254}, author = {Rajakumar, Perumal and Senthilkumar, B. and Srinivasan, Kannupal} } @article {43213, title = {Synthesis of cyclic peptides using a palladium-catalyzed enyne cycloisomerization}, journal = {Tetrahedron Letters}, volume = {47}, year = {2006}, month = {MAY}, pages = {3569-3571}, abstract = {In this letter, we report a palladium-catalyzed enyne cycloisomerization of linear peptides to generate small cyclic peptides embedded with a conjugated 1,3-diene. The utility of these resulting macrocyclic dienes is demonstrated by carrying out [4+2] cycloadditions with dienophiles to generate constrained cyclic peptides with cyclic linkers. (c) 2006 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2006.03.053}, author = {Balraju, V. and Dev, R. Vasu and Reddy, D. Srinivasa and Iqbal, Javed} } @article { ISI:000238624000017, title = {Synthesis of MgNb2O6 by coprecipitation}, journal = {Materials Research Bulletin}, volume = {41}, number = {7}, year = {2006}, month = {JUL}, pages = {1353-1356}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.12.009}, author = {Navale, S. C. and Gaikwad, A. B. and Ravi, V.} } @article { ISI:000238012800020, title = {Synthetic studies toward macrocidins: an RCM approach for the construction of the central cyclic core}, journal = {Tetrahedron Letters}, volume = {47}, number = {24}, year = {2006}, month = {JUN}, pages = {4061-4064}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {acyltetramic acid, Lacey-Dieckmann cyclization, macrocidins, Ring closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.192}, author = {Ramana, C. V. and Mondal, Mohabul A. and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000236150300039, title = {Thermotropic behavior of lithocholic acid derivative linked hydroxyethyl cellulose}, journal = {Journal of Applied Polymer Science}, volume = {100}, number = {3}, year = {2006}, month = {MAY}, pages = {1995-2001}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Various mesogenic lithocholic acid (LA) derivatives [3-acetyl LA (LAAC); 3-propionyl LA (LAP), 3-cinnamoyl LA (LACin); 3-benzoyl LA (LAB), 3-(4-nitrobenzoyl) LA (LANB); and methyl-3-(3-carboxypropionyl) LA, i.e., LA methyl ester monosuccinate (LAMeMS)] were reacted with hydroxyethyl cellulose (HEC) to obtain a series of LA derivatives of HEC. These polymers were characterized by the mesogen content, 1.1, differential scanning calorimetry, and hot-stage coupled polarizing optical microscopy. The degree Of Substitution (DS) ranged from 0.27 to 1.11. Polymers HEC-LAB (DS = 1.11), HEC-LANB (DS = 0.80), HEC-LACin (DS = 0.76), and HEC-LAP (DS = 0.27) exhibited a mesophase on heating whereas HEC-LAB also showed a mesophase on cooling. The other polymers HEC-LAAC (DS = 0.89) and HEC-LAMeMS (DS = 0.36) did not reveal mesophase formation with either heating or cooling. It is observed that the formation of a mesophase is affected by the type of mesogen that is used rather than the mesogen content of the polymer. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {hydroxyethyl cellulose, lithocholic acid, thermotropic}, issn = {0021-8995}, doi = {10.1002/app.22285}, author = {Shaikh, V. A. E. and Maldar, Noormahamad N. and Lonikar, Shrikant Vitthal and Rajan, C. R. and Ponrathnam, 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:000241996500012, title = {Vapour phase methylation of phenol over nanocrystalline ZnFe(2-x)A1(x)O(4) (x=0, 0.25, 0.5, 0.75 and 1.0) ferrospinel system}, journal = {Indian Journal of Chemical Technology}, volume = {13}, number = {5}, year = {2006}, month = {SEP}, pages = {493-498}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

The alkylation ofphenol with methanol was carried out over ZnFe2-xAlxO4 (x = 0, 0.25, 0.5, 0.75 and 1.0) type spinel systems in a Fixed bed, down flow reactor. The influence of Surface acidity, cation distribution in the spinel lattice and various reaction parameters are discussed. A maximum yield of 70.9 and 22.9\% with selectivity of 73.5 and 23.3\% was obtained for 2,6-xylenol and o-cresol respectively, giving a total ortho selectivity of: 96.8\% over ZnFeAlO4 at 350 degrees C, methanol to phenol molar ratio of 5 and WHSV of 0.6 h(-1). Catalyst characterization was made by XRD, Mossbauer spectroscopy, ammonia desorption and BET surface area measurements. Mossbauer spectroscopy reveals isomorphic substitution or Fe 3 by smaller A 13, into the octahedral sites leading to lattice distortion, Unsymmetrical charge distribution and charge transfer from iron to oxygen making it more basic and proton attracting. This helps vertical adsorption ofphenol and formation of 2.6-xylenol. It has been concluded that catalyst acidity plays major role in the reaction as compared to surface area.

}, keywords = {consecutive methylation, ferrospinels, vertical and horizontal adsorption}, issn = {0971-457X}, author = {Reddy, Vanga S. and RadheShyam, A. and Dwivedi, Reena and Rai, A. and Anilkumar, Mettu and Chumbhale, Vilas R. and Aswar, A. S. and Prasad, R.} } @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:000248080100349, title = {6-Bromo-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1,3,2-benzoxa zaphosphinine 2-sulfide}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {63}, number = {5}, year = {2007}, month = {MAY}, pages = {O2407-O2409}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, chapter = {Part 5}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

In the title compound, C20H16BrClNO2PS, the six-membered oxazaphosphinine ring exhibits a boat conformation, with the S atom in an axial position. The methoxyphenyl and chlorobenzene groups are trans to each othe. The structure is stabilized by intermolecular C-H center dot center dot center dot S hydrogen bonds, linking the molecules into chains.

}, issn = {1600-5368}, doi = {10.1107/S160053680701776X}, author = {Krishna, J. Radha and Krishnaiah, M. and Prasad, G. Syam and Reddy, C. Suresh and Puranik, Vedavati G.} } @article { ISI:000251828300003, title = {Activation and reactivity of epoxides on solid acid catalysts}, journal = {Journal of Catalysis}, volume = {252}, number = {2}, year = {2007}, month = {DEC}, pages = {148-160}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The aminolysis of epoxides over novel solid catalysts (Bronsted-acidic SBA-15 functionalized with propylsulfonic acid and Lewis-acidic Ti-MCM-41) is reported. The acidic properties of these catalysts were determined by FTIR spectroscopy and temperature-programmed desorption of pyridine and NH3, respectively. The mesoporous solid acids of the present study are reusable and exhibit significantly higher catalytic activities than known catalysts for opening of the oxirane ring with nitrogen (aromatic and aliphatic amines)-containing and oxygen (alcohols)-containing nucleophiles. A range of beta-amino, alcohols with high regioselectivity and stereoselectivity were synthesized. Adsorption studies as well as the sigmoid shape of the conversion- versus-time plots show that the epoxide and amine compete for adsorption on the acidic sites (-SO3H or Ti4+) on the catalyst surface. Epoxide adsorption and activation on acid sites are the more critical processes. Catalytic activity decreases with increasing basicity of the amines and/or the alcohol, as well as the dielectric constant of the solvent. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {aminolysis and alcoholysis of epoxides, beta-Amino alcohols, ring opening of epoxides, SBA-15 functionalized with propylsulfortic acid, Solid acids, Ti-MCM-41}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.10.002}, author = {Saikia, Lakshi and Satyarthi, J. K. and Srinivas, Darbha and Ratnasamy, P.} } @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:000243176500006, title = {Application of cellulases from an alkalothermophilic thermomonospora sp in biopolishing of denims}, journal = {Biotechnology and Bioengineering}, volume = {96}, number = {1}, year = {2007}, month = {JAN}, pages = {48-56}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Use of cellulase for denim washing is a standard eco-friendly technique to achieve desirable appearance and softness for cotton fabrics and denims. But enzymatic washing of denim till date involved acid cellulase (Trichoderma reesei) and neutral cellulase (Humicola isolens) the use of which has a drawback of backstaining of the indigo dye on to the fabric. Though it has been suggested that pH is a major factor in controlling backstaining there are no reports on use of cellulase under alkaline conditions for denim washing. In this study for the first time an alkali stable endoglucanase from alkalothermophilic Thermomonospora sp. (T-EG) has been used for denim biofinishing under alkaline conditions. T-EG is effective in removing hairiness with negligible weight loss and imparting softness to the fabric. Higher abrasive reactivity with lower backstaining was a preferred property for denim biofinishing exhibited by T-EG. The activities were comparable to acid and neutral cellulases that are being regularly used. The enzyme was also effective under non-buffering conditions which is an added advantage for use in textile industry. A probable mechanism of enzymatic finishing of cotton fabric has been represented based on the unique properties of T-EG.

}, keywords = {alkaline conditions, biopolishing, Cellulase, denim, Thermomonospora sp}, issn = {0006-3592}, doi = {10.1002/bit.21175}, author = {Anish, Ramakrishnan and Rahman, Mohammad Safikur and Rao, Mala} } @article { ISI:000243163000080, title = {Au-Pt nanoparticles in amine functionalized MCM-41: catalytic evaluation in hydrogenation reactions}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {629-634}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nano-sized Au-Pt nanoparticles (Au-Pt-bi-MNPs) have been synthesized by the simultaneous reduction of HAuCl4 and HPtCl6 by NaBH4 inside the channels of amine functionalized Si-MCM-41 (NH2-Si-MCM-41) at ambient conditions. These materials were characterized using chemical analysis, UV-vis, XPS, XRD, FT-IR, Surface area and TEM analysis. The size of these alloyed nanoparticles (bi-MNPs) were found in the range of 2-4 nm. These nanoparticles were evaluated to study their catalytic activities towards hydrogenation of aromatic nitro compounds. The catalytic activity of the Au-Pt bi-MNPs was found to be superior to monometallic An nanoparticles. (c) 2006 Published by Elsevier B.V.

}, keywords = {amine-functionalized MCM-41, Au-Pt nanoparticles, Catalytic hydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.03.004}, author = {Joseph, Trissa and Kumar, K. Vijay and Ramaswamy, A. V. and Halligudi, Shivaraj B.} } @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:000243163000025, title = {Bimetallic Pt-Sn/gamma-alumina catalyst for highly selective liquid phase hydrogenation of diethyl succinate to gamma-butyrolactone}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {340-344}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Platinum-tin bimetallic catalyst on gamma-alumina support was prepared by impregnation method and was reduced by sodium borohydride at room temperature. XRD and XPS characterization revealed that platinum was reduced to Pt-0 while, tin was probably partially reduced to Sn2+ due to the low temperature reduction method and Sn-0 was completely absent, avoiding the formation of P-Sn alloy. Pt-Sn/gamma-alumina (Pt 1\%, Sn 9\%) thus prepared was found to give almost complete selectivity to gamma-butyrolactone in liquid phase hydrogenation of diethyl succinate. A plausible reaction pathway is proposed involving Pt-O-Sn state and high selectivity to GBL is due to the Lewis acidity of Sn2+/4+ (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {bimetallic Pt-Sn catalyst, gamma-butyrolactone selectivity, liquid phase hydrogenation of diethyl maleate, XPS of Pt-Sn, XRD of Pt-Sn}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.06.026}, author = {Vaidya, S. H. and Rode, C. V. and Chaudhari, Raghunath V.} } @article { ISI:000252096700006, title = {Biochemical characterization of a novel beta-1-3, 1-4 glucan 4-glucanohydrolase from thermomonospora sp having a single active site for lichenan and xylan}, journal = {Biochimie}, volume = {89}, number = {12}, year = {2007}, month = {DEC}, pages = {1489-1497}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, type = {Article}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

A bifunctional high molecular weight (Mr, 64,500 Da) beta-1-3, 1-4 glucan 4-glucanohydrolase was purified to homogeneity from Thermomonospora sp., exhibiting activity towards lichenan and xylan. A kinetic method was used to analyze the active site that hydrolyzes lichenan and xylan. The experimental data was in agreement with the theoretical values calculated for a single active site. Probing the conformation and microenvironment at active site of the enzyme by fluorescent chemo-affinity label, OPTA resulted in the formation of an isoindole derivative with complete inactivation of the enzyme to hydrolyse both lichenan and xylan confirmed the results of kinetic method. OPTA forms an isoindole derivative by cross-linking the proximal thiol and amino groups. The modification of cysteine and lysine residues by DTNB and TNBS respectively abolished the ability of the enzyme to form an isoindole derivative with OPTA, indicating the participation of cysteine and lysine in the formation of isoindole complex. (C) 2007 Elsevier Masson SAS. All rights reserved.

}, keywords = {1-4 glucan 4-glucanohydrolase, beta-1-3, bifunctional, O-phthaialdehyde, single active site, Thermomonospora sp., Xylanase}, issn = {0300-9084}, doi = {10.1016/j.biochi.2007.06.010}, author = {Anish, Ramakrishnan and Rao, Mala} } @article {67}, title = {Biochemical characterization of an aspartic protease from vigna radiata: kinetic interactions with the classical inhibitor pepstatin implicating a tight binding mechanism}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1774}, number = {5}, year = {2007}, month = {MAY}, pages = {619-627}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

{Aspartic proteases are the focus of recent research interest in understanding the physiological importance of this class of enzymes in plants. This is the first report of an aspartic protease from the seeds of Vigna radiata. The aspartic protease was purified to homogeneity by fractional ammonium sulfate precipitation and pepstatin-A agarose affinity column. It was found to have a molecular weight of 67,406 Da by gel filtration chromatography. SDS-PAGE analysis revealed the presence of a heterodimer with subunits of molecular weights of 44,024 and 23,349 Da respectively. The enzyme was pH stable with the amino acid analysis confirming the molecular weight of the protein. The substrate cleavage site as analyzed by using the synthetic substrate was found to be the Phe-Tyr bond. The kinetic interactions of the enzyme were studied with the universal inhibitor, pepstatin A. This is the first report on the interactions of a plant aspartic protease with pepstatin-A, an inhibitor from a microbial source. A competitive one-step mechanism of binding is observed. The progress curves are time-dependent and consistent with tight binding inhibition. The K(i) value of the reversible complex of pepstatin with the enzyme was 0.87 mu M whereas the overall inhibition constant K(i)*

}, keywords = {ant colony, global optimization, metaheuristics, multimodal continuous functions, particle swarm optimization}, issn = {0096-3003}, doi = {10.1016/j.bbapap.2007.03.014}, author = {Kulkarni, Aarohi and Rao, Mala} } @article { ISI:000249553200007, title = {Bio-milling technique for the size reduction of chemically synthesized BiMnO3 nanoplates}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {37}, year = {2007}, month = {AUG}, pages = {3910-3914}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Wet- chemical techniques for the synthesis of complex oxide materials have advanced significantly; however, achieving finely dispersed nanoparticles with sizes less than 10 nm still remains challenging, especially for the perovskite family of compounds. On the other hand, a fungusmediated synthesis technique has recently shown potential to synthesize perovskites such as BaTiO3 with sizes as small as 5 nm. Here we report, for the first time, the use of fungal biomass, at room temperature, to break down chemically synthesized BiMnO3 nanoplates ( size similar to 150 - 200 nm) into very small particles (, 10 nm) while maintaining their crystalline structure and the phase purity. This novel technique that we have named as {\textquoteleft}{\textquoteleft} bio- milling{\textquoteright}{\textquoteright} holds immense potential for synergically utilizing both chemical and biological synthesis techniques to synthesize complex oxide nanoparticles with particle sizes less than 10 nm with the proper crystalline phase.

}, issn = {0959-9428}, doi = {10.1039/b706154d}, author = {Mazumder, Baishakhi and Uddin, Imran and Khan, Shadab and Ravi, Venkat and Selvraj, Kaliaperumal and Poddar, Pankaj and Ahmad, Absar} } @article { ISI:000250456600004, title = {Bowman-birk protease inhibitor from the seeds of vigna unguiculata forms a highly stable dimeric structure}, journal = {Biochimica et Biophysica Acta-Proteins and Proteomics}, volume = {1774}, number = {10}, year = {2007}, month = {OCT}, pages = {1264-1273}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Different protease inhibitors including Bowman-Birk type (BBI) have been reported from the seeds of rigna unguiculata. Protease isoinhibitors of double-headed Bowman-Birk type from the seeds of Vigna unguiculata have been purified and characterized. The BBI from Vigna unguiculata (Vu-BBI) has been found to undergo self-association to form very stable dimers and more complex oligomers, by size-exclusion chromatography and SDS-PAGE in the presence of urea. Many BBIs have been reported to undergo self-association to form homodimers or more complex oligomers in solution. Only one dimeric crystal structure of a BBI (pea-BBI) is reported to date. We report the three-dimensional structure of a Vu-BBI determined at 2.5 A resolution. Although, the inhibitor has a monomer fold similar to that found in other known structures of Bowman-Birk protease inhibitors, its quaternary structure is different from that commonly observed in this family. The structural elements responsible for the stability of monomer molecule and dimeric association are discussed. The Vu-BBI may use dimeric or higher quaternary association to maintain the physiological state and to execute its biological function. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Bowman-Birk protease inhibitor, plant protease inhibitor, protein-protein interaction, Vigna unguiculata}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2007.07.009}, author = {Rao, K. N. and Suresh, C. G.} } @article { ISI:000250183300024, title = {Carbohydrate based approach towards the synthesis of aspercyclide C}, journal = {Tetrahedron Letter}, volume = {48}, number = {42}, year = {2007}, month = {OCT}, pages = {7524-7527}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {chiron approach, D-ribose, Mukaiyama reagent, ring closing metathesis (RCM), Ullmann coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.08.050}, author = {Ramana, C. V. and Mondal, Mohabul A. and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000243819800025, title = {Central core of uprolides D and E: a survey of some ring closing metathesis approaches}, journal = {Tetrahedron Letter}, volume = {48}, number = {6}, year = {2007}, month = {FEB}, pages = {1013-1016}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {cembranolides, ene-yne metathesis, Ring closing metathesis, Sharpless asymmetric epoxidation, uprolides D and E}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.176}, author = {Ramana, C. V. and Salian, Sumanth R. and Gurjar, Mukund K.} } @conference { ISI:000291657600157, title = {Chemoselective alkane oxidations by reactive superoxovanadium(V) species in vanadosilicate molecular sieves}, booktitle = {From ZEOLITES to Porous Mof Materials: The 40th Anniversary of International ZEOLITE Conference, Proceedings of The 15th International ZEOLITE Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1205-1212}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

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

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Srinivas, D. and Ratnasamy, P.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000251244900014, title = {Cobalt-salen intercalated montmorillonite catalyst for air oxidation of p-cresol under mild 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 = {8413-8419}, publisher = {AMER CHEMICAL SOC}, type = {Article, Proceedings Paper}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Air oxidation of p-cresol under very mild conditions (338 K and ambient pressure) was carried out in a semibatch reactor over a solid catalyst developed by intercalating cobalt-salen into the montmorillonite clay. The intercalation of cobalt - salen was done by a simple protocol, and the characterization of the intercalated catalyst was done by XPS, FTIR, and XRD techniques. A total selectivity \>= 90\% to the oxidation products could be achieved with this solid catalyst by eliminating the undesired coupling side products in air oxidation of p-cresol under ambient pressure conditions. Effect of various process parameters on the conversion and selectivity pattern were also studied, and it was found that the selectivity ratio of aldehyde to alcohol could be varied by suitably changing the reaction conditions. This heterogeneous catalyst was found to give a 5-fold higher turnover number than the homogeneous cobalt - salen complex.

}, issn = {0888-5885}, doi = {10.1021/ie07.00720}, author = {Rode, Chandrashekhar V. and Kshirsagar, Vikas S. and Nadgeri, Jayprakash M. and Patil, Kashinath R.} } @article {43396, title = {Comparative catalytic activity of Mn(Salen) complexes grafted on SBA-15 functionalized with amine, thiol and sulfonic acid groups for selective aerial oxidation of limonene}, journal = {Microporous and Mesoporous Materials}, volume = {104}, year = {2007}, month = {AUG}, pages = { 225-235}, abstract = {SBA-15 molecular sieves were functionalized with propylamine, propylthiol and propylsulfonic acid groups. Mn(Salen)Cl complexes were grafted on these organo-functionalized SBA-15. The support and the type of organo-functional group influenced the electronic structure (oxidation state and redox behavior) and chemo selectivity of the Mn-complexes in the oxidation of limonene. The Mn ions were reduced from +3 to +2, the extent of this reduction on different supports decreasing in the order: SBA- 15-pr-SH > SBA- 15-prSO(3)H > SBA-15-pr-NH2- Mn(Salen)Cl supported on propylthiol-functionalized SBA-15 yielded the 1,2-limonene epoxide with 100\% chemo- and regioselectivity. Higher electron density at the site of Mn ions and the consequent lower redox potential of the Mn-complexes on immobilization are the probable causes for their efficient and selective catalytic activity. Solvents, additives (N-MeIm) and co-reagents (iso-butyraldehyde), which facilitated formation of Mn2+ ions, enhance the catalytic activity. A part of the Mn complexes was leached out of the solid phase during the reaction and the extent of this with different catalysts decreased in the order: SBA-l5-pr-NH2-Mn(Salen)Cl > SBA- 15-pr-SO3H-Mn(Salen)Cl > SBA- 15-pr-SH-Mn(Salen)Cl. (C) 2007 Elsevier Inc. All rights reserved}, doi = {10.1016/j.micromeso.2007.02.026}, author = {Salkia, Lakshi and Srinivas, Darbha and Ratnasamy, Paul} } @article {42585, title = {Conductance switching in an organic material: from bulk to monolayer}, journal = {Langmuir}, volume = {23}, year = {2007}, month = {SEP}, pages = {9831-9835}, type = {Article}, abstract = {

Fluorescein sodium, which does not exhibit electrical bistability in thin films, can be switched to a high conducting state by the introduction of carbon nanotubes as channels for carrier transport. Thin films based on fluorescein sodium/carbon nanotubes display memory switching phenomenon among a low conducting state and several high conducting states. Read-only and random-access memory applications between the states resulted in multilevel memory in these systems. Results in thin films and in a monolayer (deposited via layer-by-layer assembly) show that instead of different molecular conformers, multilevel conducting states arise from the different density of high conducting fluorescein molecules.

}, doi = {10.1021/la701132f}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000245141300021, title = {Controlled synthesis of low-molecular-weight polyethylene waxes by titanium-biphenolate-ethylaluminum sesquichloride based catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1531-1539}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Catalysts, polyethylene (PE), synthesis, Ziegler-Natta polymerization}, issn = {0021-8995}, doi = {10.1002/app.25525}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article { ISI:000249395500018, title = {Copolyesters based on poly(butylene terephthalate)s containing cyclohexyl and cyclopentyl ring: Effect of molecular structure on thermal and crystallization behavior}, journal = {Macromolecules}, volume = {40}, number = {19}, year = {2007}, month = {SEP}, pages = {6906-6915}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In an effort to understand the role of molecular structure on the thermal properties of polyesters and copolyesters, the following polyesters were synthesized: poly(1,4-cyclohexane dimethylene terephthalate) (PCT), poly(butylene-1,4-cyclohexane dicarboxylate) (PBCD), poly (1,3-cyclopentane dimethylene terephthalate) (PCPDT), and poly(butylene-1,3-cyclopentane dicarboxylate) (PBCP). PCT and PCPDT are semicrystalline polymers with crystallization and melting temperatures higher than poly(butylene terephthalate) (PBT). However, PBCD and PBCP have lower glass transition temperature than PBT. From these homopolymers a series of poly(butylene-co-1,4-cyclohexane dimethylene terephthalate) (P(BT-co-CT )), poly(butylene terephthalate-co-1,4cyclohexane dicarboxylate) (P(BT-co-BCD)), poly(butylene-co-1,3-cyclopentylene dimethylene) (P(BT-co-CPDT)), and poly(butylene terephthalate-co-1,3-cyclopentane dicarboyxlate) (P(BT-co-PBCP)) random copolyesters were synthesized for the first time, and their cocrystallization behavior was investigated using differential scanning calorimetry (DSC) and wide-angle X-ray diffraction (WAXD). The copolymers were found to be statistically random and crystallized in all compositions. The P(BT-co-CT) and (P(BT-co-CPDT) copolyesters exhibited typical eutectic behavior in melting and crystallization, which indicated isodimorphic cocrystallization behavior. On the other hand, in the case of P(BT-co-BCD) and P(BT-co-PBCP) copolymers, the melting and crystallization temperatures showed linear dependency with composition, indicating isomorphic-like crystallization behavior.

}, issn = {0024-9297}, doi = {10.1021/ma071272q}, author = {Sandhya, T. E. and Ramesh, C. and Sivaram, S.} } @article { ISI:000244008300030, title = {Co-precipitation technique to prepare BaTa2O6}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {JAN}, pages = {297-299}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.09.010}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Natarajan, N. and Ravi, V.} } @article { ISI:000247076200015, title = {Cross- and axial-peak intensities in 2D-SLF experiments based on cross-polarization - the role of the initial density matrix}, journal = {Journal of Magnetic Resonance}, volume = {185}, number = {2}, year = {2007}, month = {APR}, pages = {308-317}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Simulations and experiments on simple oriented systems have been used to estimate the relative ratio of cross-peak to axial-peak intensities in 2D-SLF experiments based on dipolar oscillations during cross-polarization (CP). The density matrix prior to dipolar evolution is considered and for an isolated spin pair, it is shown that direct calculations of the ratios match well with simulations and experimental results. Along with the standard CP pulse sequence, two other pulse sequences namely CP with polarization inversion (PI-CP) and another novel variation of the standard CP experiment (EXE-CP) reported recently have been considered. Inclusion of homonuclear dipolar coupling has been observed to increase the axial-peak intensities. In combination with Lee-Goldburg (LG) decoupling, experiments on an oriented liquid crystalline sample have been carried out and the performance of the pulse schemes have been compared. The applicability of the new pulse sequence for different samples and different nuclei is discussed. Such studies are expected to lead to a better understanding of the experiments and to the design of useful pulse sequences. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {cross polarization, oriented molecules, PISEMA, SLF}, issn = {1090-7807}, doi = {10.1016/j.jmr.2007.01.007}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Sinha, Neeraj and Opella, Stanley J. and Ramanathan, K. V.} } @article { ISI:000246329700015, title = {Cyclic voltammetry, electrochemical impedance and ex situ X-ray diffraction studies of electrochemical insertion and deinsertion of lithium ion into nanostructured organic-inorganic poly(3,4-ethylenedioxythiophene) based hybrids}, journal = {Journal of Electroanalytical Chemistry}, volume = {603}, number = {2}, year = {2007}, month = {MAY}, pages = {287-296}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

In this work, we discuss the electrochemical insertion and deinsertion of lithium into poly(3,4-ethylenedioxythiophene) PEDOT-V(2)O(5) nanohybrids by using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and powder ex situ X-ray diffraction (XRD) studies with special emphasis on their application potential as cathode materials for rechargeable Lithium batteries. The interlayer spacing of crystalline V(2)O(5) expands from 0.43 to 1.41 nm by the intercalation of PEDOT nanoribbons prepared by a microwave irradiation method. Cyclic voltammetry studies of PEDOT-V(2)O(5) hybrid at a slow scan rate of 0.058 mVs(-1) between 2.0-4.3 V vs. Li/ Li(+), demonstrates that structural transitions Of V(2)O(5) are suppressed and more facile intercalation features appear in terms of well-defined reversible cathodic and anodic peaks when compared to that at higher scan rate. Electrochemical Impedance studies of PEDOT-V(2)O(5) hybrid as cathode at ambient temperature with lithium metal foil as both counter and reference electrodes in 1 M LiPF(6) in a mixture of ethylene and diethylcarbonate (50:50 by volume) between the range 2.0-4.3 V reveals the usefulness of these materials. The observed capacity fading during cycling in terms of surface passivation and structural transformations is also investigated by CV, EIS and XRD analysis. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {cyclic voltammetry, ex situ XRD studies, high capacity lithium batteries, impedance studies, nanostructured hybrid materials}, issn = {1572-6657}, doi = {10.1016/j.jelechem.2007.02.013}, author = {Murugan, A. Vadivel and Reddy, M. V. and Campet, Guy and Vijayamohanan, K.} } @article { ISI:000245098400014, title = {Development of a soft sensor for a batch distillation column using support vector regression techniques}, journal = {Chemical Engineering Research \& Design }, volume = {85}, number = {A2}, year = {2007}, month = {FEB}, pages = {283-287}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

A support vector regression (SVR)-based model is developed for a batch distillation process in order to estimate the product compositions from temperature measurements. Kernel function such as linear, polynomial and RBF are employed for SVR modelling. The original process data was generated by simulating the batch distillation process, varying the initial feed composition and boilup rate from batch to batch. Within each batch reflux ratio was also randomly changed to represent the true dynamics of the batch distillation. The results show the potential of the method for developing softsensor for chemical processes.

}, keywords = {Batch distillation, composition estimation, soft sensor, support vector regression}, issn = {0263-8762}, doi = {10.1205/cherd05026}, author = {Jain, P. and Rahman, I. and Kulkarni, B. D.} } @article { ISI:000244798300028, title = {Direct hydrothermal synthesis of mesoporous Sn-SBA-15 materials under weak acidic conditions}, journal = {Microporous and Mesoporous Materials}, volume = {100}, number = {1-3}, year = {2007}, month = {MAR}, pages = {210-226}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A direct synthetic route for the preparation of Sn-SBA-15 materials with n(Si)/n(Sn), ratios ranging from 100 to 10 under milder acidic conditions than normally employed for the preparation of Si-SBA-15 is reported. The changes in the pH conditions of the gel were made through an adjustment of the molar ratio of n(H2O) to n(HCl) (\< 1 pH \< 2) during preparation. The samples prepared under three different acidic conditions have been characterized by various techniques. An expansion of the lattice (powder XRD) and an increase in mesopore area (low temperature N-2 adsorption) indicate that the hexagonal structure of the SBA- 15 is maintained with no loss of long range ordering. The UV-vis reflectance spectra of Sn-SBA-15 samples show the presence of Sn4+ ions both in tetrahedral and octahedral environment. Si-29 MAS NMR spectra of samples prepared under an intermediate acid condition show the presence Of Q(3) and Q(4) species. Their ratio increases with a decrease in tin content. The presence of Si in (2Si, 2Sn) i.e., Q(2) environment may point to incorporation of considerable Sn4+ ions in tetrahedral positions. Sn-Mossbauer spectroscopic studies reveal that Sn2+ species form upon reductive treatments and can probably be stabilized in the pore wall upon reoxidation. This to some extent is an indication of the formation and stabilization of Si-O-Sn-O-Si linkages in Sn-SBA-15. A progressive increase in the pH of the medium (increasing the n(H2O) to n(HCl), ratio) results in the location of Sn4+ ions, (a) at the surface of the mesopores (surface of the corona region) as a thin film of SnO2 or small aggregates (loss in mesopore area) depending on the concentration of Sn; (b) at the walls of the mesopore structure, substituting Si4+ ions (some lattice expansion and tetrahedral Sn4+ ions); and/or (c) as a part of the corona region, neutralizing the resulting Si-OH groups (a loss of micropore area and octahedral Sn4+ ions). The studies reveal that the method of preparation, n(H2O)/n(HCl) ratio and the n(Si)/n(Sn) ratio (concentration of SnCl4) of the gel significantly influence the type of tin species in the resulting Sn-SBA-15 samples. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {direct synthesis of Sn-SBA-15, Si-29 and Sn-119 MAS-NMR, Sn-mossbauer spectroscopic studies, Sn-SBA-15, tin-mesoporous silica}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.10.042}, author = {Shah, P. and Ramaswamy, A. V. and Lazar, Karoly and Ramaswamy, Veda} } @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 { ISI:000246682000006, title = {Efficient synthesis of fused 1,2,3-triazolo-delta-lactams using huisgen [3+2] dipolar cycloaddition {\textquoteleft}{\textquoteleft}click-chemistry{\textquoteright}{\textquoteright} in water}, journal = {Chemistry Letters}, volume = {36}, number = {5}, year = {2007}, month = {MAY}, pages = {592-593}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

A general approach for the quick synthesis of various 1,2,3-triazolo-delta-lactams has been described, which involves the Huisgen [3 + 2] dipolar cycloaddition of azides derived from different amino acids with dimethyl acetylenedicarboxylate in water followed by cyclization.

}, issn = {0366-7022}, doi = {10.1246/cl.2007.592}, author = {Kumar, Indresh and Rode, Chandrashekhar V.} } @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 { ISI:000245870400056, title = {Energy analysis of field emitted electrons from a ZnO tetrapod}, journal = {Applied Physics Letters}, volume = {90}, number = {16}, year = {2007}, month = {APR}, pages = {Article No. 162102}, 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 experimental total energy distribution (TED) of the field emitted electrons from a single pod of a ZnO tetrapod has been obtained, exhibiting a two-peak feature. The energy difference between the two peaks in the TED is found to be nearly equal to the band gap of the bulk ZnO. The results show that field emitted electrons originate from both the conduction and valence bands. The peak position dependence on the applied voltage has also been observed. In the present case, the size of the ZnO tetrapod is not small enough to reflect the quantum confinement effects.

}, issn = {0003-6951}, doi = {10.1063/1.2723199}, author = {Al-Tabbakh, Ahmed A. and More, Mahendra A. and Joag, Dilip S. and Ramgir, Niranjan S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @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:000251244900020, title = {Environmentally benign catalytic hydroformylation-oxidation route for naproxen synthesis}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8480-8489}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie0700866}, author = {Rajurkar, Kalpendra B. and Tonde, Sunil S. and Didgikar, Mahesh R. and Joshi, Sunil S. and Chaudhari, Raghunath V.} } @article { ISI:000251275500002, title = {Expeditious assembly of 3,4-benzannulated 8-oxabicyclo[3.2.1]octane systems by [2+2+2] alkyne cyclotrimerisation: Total synthesis of (-)-bruguierol A}, journal = {European Journal of Organic Chemistry}, number = {33}, year = {2007}, month = {NOV}, pages = {5483-5486}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {cyclotrimerisation, epoxidation, Total synthesis, Wilkinson{\textquoteright}s catalyst}, issn = {1434-193X}, doi = {10.1002/ejoc.200700648}, author = {Ramana, Chepuri V. and Salian, Sumanth R. and Gonnade, Rajesh G.} } @article { ISI:000245903300012, title = {Fabrication of MEMS composite-polymer gas sensor arrays for electronic nose}, journal = {Indian Journal of Pure \& Applied Physics}, volume = {45}, number = {4}, year = {2007}, note = {Indo-Chinese Workshop on Micro Electron Mechanical Systems (MEMS) and Related Technologies, Natl Phys Lab, New Delhi, INDIA, APR 05-07, 2006}, month = {APR}, pages = {321-325}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article, Proceeding Paper}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Sensor arrays capable of sensing different gases combined with a sampling system and a means of pattern classification and recognition comprise a basic system for an {\textquoteleft}Electronic Nose{\textquoteright} In the present work, a complete process for the fabrication of micro-cavities with sensing electrodes and volumes ranging from 2.5 to 12 nano-liters for the development of polymer gas sensors has been reported. An array of eight sensing cells in four sizes have been fabricated using SU-8 negative tone resist through UV-LIGA process developed at CEERI, Pilani. The length and width of the SU-8 cavities are: 250 x 250, 300 x 300, 500 x 500 and 500 x 600 micron and the depth of each of them was optimized to be 40 micron. These cavities filled with different polymer composites comprise the basic sensing cells for a variety of gases. The current paper presents the salient features of the fabrication process in detail and the results obtained in ethanol and methanol ambient using a polymer composite developed through dissolution of styrene and polyaniline in PMMA. A number of other composites such as Pc-Ppy, Pr-Ppy, Fc(+)-PPy have also been synthesized and tested for a high sensitivity in carbon monoxide.

}, keywords = {composite polymer, conducting polymer, electronic nose, polymer gas sensor, selectivity, sensitivity, sensor array}, issn = {0019-5596}, author = {Pant, B. D. and Kutnar, Mahesh and Lakshmi, Subha and Arora, Anil and Prasad, Mahanth and Sharma, Akshdeep and Patel, Mohan and Radhakrishnan, S. and Dwivedi, V. K.} } @conference { ISI:000252140200008, title = {Fault diagnosis using dynamic time warping}, booktitle = {Pattern Recognition and Machine Intelligence, Proceedings}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {4815}, year = {2007}, note = {2nd International Conference on Pattern Recognition and Machine Intelligence, Calcutta, INDIA, DEC 18-22, 2007}, month = {DEC}, pages = {57-66}, publisher = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, organization = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {

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

}, isbn = {978-3-540-77045-9}, issn = {0302-9743}, author = {Rajshekhar and Gupta, Ankur and Samanta, A. N. and Kulkarni, B. D. and Jayaraman, Valadi K.}, editor = {Ghosh, A. and De, R. K. and Pal, S. K.} } @article { ISI: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:000250735600035, title = {Fungus-based synthesis of chemically difficult-to-synthesize multifunctional nanoparticles of CuAlO2}, journal = {Advanced Materials}, volume = {19}, number = {20}, year = {2007}, month = {NOV}, pages = {3295+}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Fungal nanosynthesis of ternary CuAlO2 phase is achieved at 50 degrees C. This phase is chemically difficult to synthesize at low temperatures because of the incompatible oxidation chemistry of Cu and Al. The synthesized protein-capped water-dispersible nanoparticles show blue luminescence and radio-frequency absorption (see figure).

}, issn = {0935-9648}, doi = {10.1002/adma.200602605}, author = {Ahmad, Absar and Jagadale, Tushar C. and Dhas, Vivek V. and Khan, Shadab and Patil, Shankar and Pasricha, Renu and Ravi, Venkat and Ogale, Satishchandra B.} } @article { ISI:000243366400007, title = {Glycine-assisted enhancement of 1,4-beta-D-xylan xylanohydrolase activity at alkaline pH with a pH optimum shift}, journal = {Biological Chemistry}, volume = {388}, number = {1}, year = {2007}, month = {JAN}, pages = {61-65}, publisher = {WALTER DE GRUYTER GMBH}, type = {Article}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

This is the first report describing the enhancement of xylanase activity by the neutral amino acid glycine. Xylanase activity is increased seven-fold at alkaline pH in the presence of glycine and its pH optimum is shifted from pH 7 to 8 without using any protein engineering techniques. Analysis of the steady-state kinetics revealed that glycine in the reaction mixture increases the K-m and k(cat) values of the enzyme. Chemoaffinity labeling and studies using glycine esters indicate an involvement of the carboxylate ion of glycine in enhancing xylanase catalytic activity. A novel possible mechanism for the glycine-assisted catalytic action of xylanase is proposed.

}, keywords = {Enzyme catalysis, OPTA, Thermomonospora sp., Xylanase}, issn = {1431-6730}, doi = {10.1515/BC.2007.007}, author = {Vathipadiekal, Vinod and Verma, Anamika and Rao, Mala} } @article { ISI:000243650800011, title = {High-temperature, polymer-graphite hybrid composites for bipolar plates: effect of processing conditions on electrical properties}, journal = {Journal of Power Sources}, volume = {163}, number = {2}, year = {2007}, month = {JAN}, pages = {702-707}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

High-temperature thermoplastic-graphite composites are prepared using polyphenylene sulfide (PPS) and polyether sulfone (PES) containing natural graphite powder. All samples are prepared by high pressure compaction and heating to high temperatures. The effect of a third additional conducting component on the electrical resistance of these composites is studied. A low resistance of the order of 0.1 Omega can be obtained even for a graphite concentration of 50\% by addition of the third component. The effect of a mixing/blending technique on the anisotropy of conductivity is investigated. Solution blending of PES with graphite leads to lower anisotropy values than powder mixing and compression moulding. The samples when exposed continuously to a working temperature of 100 degrees C give a small but significant reduction in electrical resistance. X-ray diffraction studies on composites prepared by different techniques indicate that there is restructuring and crystallite re-orientation of the graphite phase in the samples. A large reduction in the crystallite size is observed for samples prepared by solution blending while re-orientation occurs after heat treatment. The changes in electrical properties can be correlated with these structural transformations in the composites. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {bipolar plates, conducting polymer, fuel cell, graphite composites, hybrid materials, polyether sulfone, polypherylene sulfide}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2006.08.019}, author = {Radhakrishnan, S. and Ramanujam, B. T. S. and Adhikari, Arindam and Sivaram, S.} } @article { ISI:000251763600057, title = {Hydrodynamics and liquid phase residence time distribution in mesh microreactor}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7484-7493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {hydrodynamics, hysteresis, image analysis, microreactor, residence time distribution}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.08.063}, author = {Kulkarni, A. A. and Gorasia, A. K. and Ranade, V. V.} } @article { ISI:000251244900016, title = {Hydrodynamics of bubble column reactors at high gas velocity: experiments and computational fluid dynamics (CFD) Simulations}, 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 = {8431-8447}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

This paper focuses on the modeling of flow and mixing in a bubble column reactor operated at high gas velocities (up to 0.40 m/s). A dual-tip conductivity probe was used to measure local void properties such as local time-averaged gas holdup, chord length distribution, bubble velocity distribution, and interfacial area. Chord length distribution was converted to bubble size distribution, using the backward transformation method. Liquid-phase mixing time measurements were conducted using a conductivity probe. A computational fluid dynamics (CFD) model was developed to simulate the unsteady gas-liquid flow in a bubble column using commercial code FLUENT 6.2. The time-averaged flow properties predicted by CFD simulations were compared with the experimental data. The role of unsteady flow structures in mixing was studied. The {\textquoteleft}{\textquoteright} multiple snapshots {\textquoteleft}{\textquoteright} approach was used to simulate the mixing time using CFD. The mixing times that were predicted for all superficial gas velocities compared favorably to the measured values. This study of the hydrodynamic behavior of a bubble column at higher gas velocity provides a basis for understanding and simulating solid suspension (or solid mixing) in slurry bubble column reactors.

}, issn = {0888-5885}, doi = {10.1021/ie070079h}, author = {Rampure, Mohan R. and Kulkarni, Amol A. and Ranade, Vivek V.} } @conference { ISI:000291657600253, title = {Immobilization of Ntn hydrolases on APTES fuctionalized SBA-15}, booktitle = {From Zeolites to Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1891-1898}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

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

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000244902800037, title = {Improve polyethylene process control and product quality - using artificial intelligence-based sensors can improve costs}, journal = {Hydrocarbon Processing }, volume = {86}, number = {3}, year = {2007}, month = {MAR}, pages = {53+}, publisher = {GULF PUBL CO}, type = {Article}, address = {BOX 2608, HOUSTON, TX 77252-2608 USA}, issn = {0018-8190}, author = {Badhe, Yogesh P. and Lonari, J. and Tambe, S. S. and Kulkarni, B. D. and Valecha, N. K. and Deshmukh, S. V. and Ravichandran, S.} } @article { ISI:000244008300028, title = {Influence of surfactant on ZnO varistors}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {MAR}, pages = {289-291}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

ZnO varistors with and without surfactant such as sodium dodecyl sulphate (SIDS) are prepared by nitrate-combustion process. The samples were identically heat treated and sintered at 1000 degrees C for 12 h to study the influence of the surfactant on the nonlinear electrical properties of polycrystalline ZnO. It is observed that the nonlinear coefficient decreases marginally (alpha = 35) for samples prepared with surfactant, whereas breakdown field (E-B = 130 V/mm) decreased significantly. The corresponding parameters for the samples synthesized without surfactant are alpha = 45 and E-B = 400 V/mm. Hence, this method can be used for the manufacture of varistors with low to moderate breakdown fields. (c) 2005 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Chemical synthesis, Semiconductors, X-ray methods, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.08.010}, author = {Dhage, S. R. and Navale, S. C. and Ravi, 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 { ISI:000246157400036, title = {Kinetics of reductive alkylation of p-phenylenediamine with methyl ethyl ketone using 3\% Pt/Al2O3 catalyst in a slurry reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3243-3254}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Intrinsic kinetics of reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) using 3\% Pt/Al2O3 catalyst was studied in a slurry reactor. The overall reaction involves a combination of parallel and consecutive reactions involving equilibrium noncatalytic (homogeneous) and catalytic (heterogeneous) steps. For the purpose of kinetic modeling, the effects of PPDA concentration, catalyst loading, agitation speed, and partial pressure of hydrogen were studied in a temperature range of 373-413 K. Quantitative criteria were used to ensure that the reaction occurred in the kinetic regime. Different rate equations have been considered based on the elementary steps involving catalytic and noncatalytic reactions, which lay stress on the different types of interactions occurring between the reactants and the active catalyst sites. The best-fit rate model has been proposed by rigorous optimization and model discrimination procedures, by simulating the experimental concentration-time data. For the best-fit model, the agreement between the predicted and experimental data was found to be very good over a wide range of operating conditions.

}, issn = {0888-5885}, doi = {10.1021/ie0608556}, author = {Patil, Narendra G. and Roy, Debdut and Chaudhari, Amit S. and Chaudhari, Raghunath V.} } @article { ISI:000245760900020, title = {Low temperature route to prepare LaFeO3 and LaCoO3}, journal = {Materials Letters}, volume = {61}, number = {10}, year = {2007}, month = {APR}, pages = {2030-2032}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {aluminum doping, nanomaterial, NOx, Sensor, ZnO}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.03.019}, author = {Navale, S. C. and Ravi, V. and Mulla, Imtiaz S. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000252474200009, title = {Low voltage varistor ceramics based on SnO2}, journal = {Bulletin of Materials Science}, volume = {30}, number = {6}, year = {2007}, month = {DEC}, pages = {583-586}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

The nonlinear current (I)-voltage (V) characteristics of tin dioxide doped with either Nb2O5 and CoO or Sb2O3 and CoO show promising values of nonlinear coefficient (alpha) values (similar to 11) with low breakdown voltages (E-B, similar to 40 V mm(-1)). The pentavalent antimony or niobium acts as donor and increases the electronic conductivity. The crucial parameter for obtaining low breakdown voltage is the grain size, which depends upon sintering duration and temperature of these oxide ceramics.

}, keywords = {Chemical synthesis, electronic materials, Microstructure, tin oxide, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/s12034-007-0092-8}, author = {Dhage, S. R. and Ravi, V. and Yang, O. 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:000251763600036, title = {Modeling of bubble column slurry reactor for reductive alkylation of p-phenylenediamine}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7290-7304}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A bubble column slurry reactor (BCSR) model has been developed for the reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) to N, N{\textquoteright}-di-secondary-alkyl-p-phenylenediamine (Di-amine). This particular reaction system is commercially relevant and involves a combination of parallel and consecutive reactions comprising equilibrium non-catalytic (homogeneous) and catalytic (heterogeneous) steps. The proposed model is based on the {\textquoteleft}mixing cell approach{\textquoteright}. In this work the mixing cell approach has been extended by including a liquid backflow stream from all but the bottommost mixing cell. The model incorporates the contributions of gas-liquid and liquid-solid mass transfer, heat effects, and complex multistep reaction kinetics. CFD model is used to estimate the extent of backflow among mixing cells and its dependence on operating parameters. The effect of gas and liquid velocities, catalyst loading, inlet PPDA concentration, and temperature on the conversion, selectivity, global rate of hydrogenation, and temperature rise is discussed. The comparison of the current approach with the traditional mixing cell model is discussed. The BCSR model presented here will be useful to provide guidelines for designing and improving overall performance of bubble column reactors. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {bubble columns, CFD, kinetics, Mathematical modeling, Reductive alkylation}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.08.065}, author = {Chaudhari, Amit S. and Rampure, Mohan R. and Ranade, Vivek V. and Jaganathan, Rengaswamy and Chaudhari, Raghunath V.} } @article { ISI:000250584500016, title = {Multiutility sophorolipids as nanoparticle capping agents: synthesis of stable and water dispersible Co nanoparticles}, journal = {Langmuir}, volume = {23}, number = {23}, year = {2007}, month = {NOV}, pages = {11409-11412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sophorolipids are a class of glycolipids that can be obtained from fatty acids by simply treating them with yeast cells (Candida bombicola, ATCC 22214) and glucose. In this letter, we demonstrate the application of sophorolipids obtained from oleic acid as a capping agent for Co nanoparticles. Upon capping the nanoparticle surface, the sugar moiety of these sophorolipids is exposed to the solvent environment, making the nanoparticles stable and water-redispersible.

}, issn = {0743-7463}, doi = {10.1021/la702931j}, author = {Kasture, Manasi and Singh, Sanjay and Patel, Pitamber and Joy, Pattayil Alias and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad} } @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:000243164000035, title = {Novel technique to prepare LiNbO3 at low temperature}, journal = {Materials Letter}, volume = {61}, number = {3}, year = {2007}, month = {FEB}, pages = {765-766}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, LiNbO3, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.05.056}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Mirji, S. A. and Ravi, V.} } @article { ISI:000249771600036, title = {Organocatalytic activation of TMSCN by basic ammonium salts for efficient cyanation of aldehydes and imines}, journal = {Tetrahedron Letters}, volume = {48}, number = {40}, year = {2007}, month = {OCT}, pages = {7211-7214}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Basic ammonium salts act as highly effective catalysts for the cyanosilylation of aldehydes and in Strecker-type aminonitrile synthesis using TMSCN as cyanide source at 25 degrees C under extremely mild conditions, affording very good to excellent yields of silylated cyanohydrins and alpha-aminonitriles. (C) 2007 Published by Elsevier Ltd.

}, keywords = {aldehydes, aminonitriles, cyanohydrin, cyanosilylation, multicomponent reactions, TMSCN}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.07.188}, author = {Raj, I. Victor Paul and Suryavanshi, Gurunath and Sudalai, A.} } @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:000245141300053, title = {Photodegradation of ethylene/propylene/polar monomers, Co-, and terpolymers. II. prepared by Ni catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1783-1791}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

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

}, keywords = {copolymerization, Ethylene, Photodegradation, polar monomers, propylene}, issn = {0021-8995}, doi = {10.1002/app.25828}, author = {Fernandes, Susete N. and Correia, Sandra and Matos, Ines and Marques, Maria M. and Rana, Sravendra and Kumar, Bijandra and Gupta, M. K. and Singh, R. P.} } @article { ISI:000206190100007, title = {Photo-oxidation of EPDM/layered double hydroxides composites: influence of layered hydroxides and stabilizers}, journal = {Express Polymer Letters}, volume = {1}, number = {11}, year = {2007}, month = {NOV}, pages = {748-754}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, type = {Article}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {

The photo-oxidation of ethylene propylene diene monomer (EPDM)/layered double hydroxide (LDH) composites as well as EPDM/LDH with stabilizers is studied under accelerated UV irradiation (lambda \>= 290 nm) at 60 degrees C for different time intervals. The development of functional groups during oxidation was monitored by FT-IR spectroscopy. The photo-degradation of the pristine polymer and composites take place and the increase in hydroxyl and carbonyl groups with irradiation times, was estimated. EPDM filled LDH showed higher degradation rate than pristine EPDM, while in acidic medium EPDM/LDH showed almost equal degradation as in isolated conditions. These results show the advantages of LDHs as a filler as well as an acid killer. The effect of stabilizers is very less because of their concentration in comparison of LDH.

}, keywords = {EPDM, layered double hydroxides, Photo-oxidation, polymer composites}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2007.103}, author = {Kumar, B. and Rana, S. and Singh, R. P.} } @article {64}, title = {Polyethylene waxes: catalytic synthesis by ti-biphenolates}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {44}, number = {7-9}, year = {2007}, month = {JUL}, pages = {977-987}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {fibers, Nanoparticles, Self-assembly}, issn = {0021-9797}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article { ISI:000251244900001, title = {Preface: CAMURE-6 \& ISMR-5 symposium in Pune, India}, journal = {Industrial \& Engineering Chemical Research}, volume = {46}, number = {25}, year = {2007}, month = {DEC}, pages = {8291}, publisher = {AMER CHEMICAL SOC}, type = {Article, Editorial Material}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0888-5885}, doi = {10.1021/ie078009y}, author = {Chaudhari, Raghunath V. and Ranade, Vivek V.} } @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 { ISI:000246260000011, title = {Preparation of nanocrystalline ferroelectric CaBi4Ti4O15 by citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {4}, year = {2007}, month = {JAN}, pages = {569-571}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

}, keywords = {1, 2-O-isopropylidene, anti-malarial agent, D-glyceraldehyde, Nonenolide, Ring-closing metathesis, Yamaguchi esterification}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.02.040}, author = {Mohapatra, Debendra K. and Ramesh, Dhondi K. and Giardello, Michael A. and Chorghade, Mukund S. and Gurjar, Mukund K. and Grubbs, Robert H.} } @article { ISI:000249864300018, title = {Regio- and stereoselective synthesis of beta-amino alcohols over titanosilicate molecular sieves}, journal = {Applied Catalysis A-General}, volume = {330}, year = {2007}, month = {OCT}, pages = {145-151}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel application of titanosilicate molecular sieves in the synthesis of P-amino alcohols via aminolysis of epoxides, at mild and solvent-free conditions, is reported, for the first time. A range of beta-amino alcohols with nearly 100\% regio- and stereoselectivity was produced over these reusable solid catalysts in high yields. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Aminolysis of epoxides, synthesis of beta-amino alcohols, Ti-MCM-41, titanosilicate molecular sieves}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.07.019}, author = {Satyarthi, Jitendra K. and Saikia, Lakshi and Srinivas, Darbha and Ratnasamy, P.} } @conference {42803, title = {Removal of AS(III) and AS (V) from contaminated water sources by sorption onto novel pei-attached poly(hipe) beads", paper presented at international conference on ?role of analytical chemistry in nuclear technology?}, booktitle = {Role of Analytical Chemistry in Nuclear Technology}, year = {2007}, month = {DEC}, address = {BARC, Mumbai, India}, author = {Ingavle, Ganesh C. and Tayal, Rajeev and Shaikh, Wasif Abdul Lateef and Chaudhari, Sanjeev and Chavan, Nayaku and Rajan, Chelanattukizhakkemadath Raman and Ponrathnam, Surendra} } @article { ISI: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 { ISI:000246492900025, title = {Rotary Cement Kiln Simulator (RoCKS): integrated modeling of pre-heater, calciner, kiln and clinker cooler}, journal = {Chemical Engineering Science}, volume = {62}, number = {9}, year = {2007}, month = {MAY}, pages = {2590-2607}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {cement, energy consumption, reaction engineering model}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.01.063}, author = {Mujumdar, Kaustubh S. and Ganesh, K. V. and Kulkarni, Sarita B. and Ranade, Vivek V.} } @article { ISI:000244183400009, title = {[SbW9O33]-based polyoxometalate combined with a phase transfer catalyst: A highly effective catalyst system for selective oxidation of alcohols with H2O2, and spectroscopic investigation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {262}, number = {1-2}, year = {2007}, month = {FEB}, pages = {52-58}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Alcohol, Aq.H2O2, Nag[SbW9O33], Oxidation, Phase transfer catalyst, Polyoxometalate, polyoxotungstate}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.08.050}, author = {Ingle, Rohit H. and Raj, N. K. Kala and Manikandan, Palanichamy} } @article { ISI:000243095400015, title = {Singlejet fluidized beds: experiments and CFD simulations with glass and polypropylene particles}, journal = {Chemical Engineering Science}, volume = {62}, number = {1-2}, year = {2007}, month = {JAN}, pages = {167-183}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {CFD, fluidized beds, hydrodynamics, image analysis, pressure fluctuations, single jet}, issn = {0009-2509}, doi = {10.1016/j.ces.2006.08.037}, author = {Utikar, Ranjeet P. and Ranade, Vivek V.} } @article { ISI:000250399300023, title = {Spectroscopic and catalytic properties of SBA-15 molecular sieves functionalized with acidic and basic moieties}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {170-180}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {aerial oxidation of terpenes, CO2 utilization, cyclic carbonates synthesis, epoxidation, functionalization with acidic and basic moieties, immobilization of Mn complexes, organo-functionalization of SBA-15, solid acid-base catalysts}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.024}, author = {Srinivas, D. and Ratnasamy, P.} } @article {34}, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers. part II. polypropylene matrix}, journal = {Polymer Degradation and Stability}, volume = {92}, number = {2}, year = {2007}, month = {FEB}, pages = {299-309}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000251217800008, title = {Stereoselective hydrogenation of tert-butylphenols over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent}, journal = {Journal of Catalysis}, volume = {252}, number = {1}, year = {2007}, month = {NOV}, pages = {57-68}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

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

}, keywords = {charcoal-supported rhodium catalyst, stereoselective hydrogenation, supercritical carbon dioxide solvent, tert-butylcyclohexanol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.08.01}, author = {Hiyoshi, Norihito and Rode, Chandrashekhar V. and Sato, Osamu and Tetsuka, Hiroyuki and Shirai, Masayuki} } @article {42817, title = {Steric control in pd-mediated cycloisomerization of sugar alkynols: documentation of a rare allylic epimerization}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4771-4774}, type = {Article}, abstract = {

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

}, keywords = {Bis-Homopropargylic Alcohols; Oriented Organic-Synthesis;Nucleophilic-Attack; Room-Temperature; Palladium; Chemistry; Heterocycles;Complexes; Transformations; Sonogashira}, doi = {10.1016/j.tetlet.2007.04.133}, author = {Ramana, Chepuri V. and Patel, Pitarnbar and Gonnade, Rajesh G.} } @article { ISI:000246066000033, title = {Sulfonamide- and hydrazine-based palladium catalysts: stable and efficient catalysts for C-C coupling reactions in aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {269}, number = {1-2}, year = {2007}, month = {MAY}, pages = {218-224}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {arylation reaction, Heck reaction, palladium catalyst, Sonogashira reaction, Suzuki coupling reaction}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.12.023}, author = {Kumar, N. S. C. Ramesh and Raj, I. Victor Paul and Sudalai, A.} } @article { ISI:000249169900033, title = {Surface-state-mediated electron transfer at nanostructured ZnO multipod/electrolyte interfaces}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {35}, year = {2007}, month = {SEP}, pages = {13092-13102}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp072695x}, author = {Parthasarathy, Meera and Ramgir, Niranjan S. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000245141300028, title = {Synthesis and characterization of hindered amine light stabilizers based on end functionalization of polypropylene}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1596-1602}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {end functionalization, functionalization of polymers, polymeric HALS, polypropylene, vinylidine and photostabilization}, issn = {0021-8995}, doi = {10.1002/app.25745}, author = {Reddy, K. Raghunatha and Kumar, Bijendra and Rana, Sravendra and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000250399300012, title = {Synthesis and characterization of NCL-5, NCL-6 and NCL-7: new zeolites enriched with polymorph B of the BEA family}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {BEA family, NCL-5, NCL-6, NCL-7, polymorph B enrichment, synthesis, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.063}, author = {Kadgaonkar, Mahesh D. and Kasture, Mahesh W. and Bhange, Deu S. and Joshi, Praphulla N. and Ramaswamy, Veda and Gupta, Narendra M. and Kumar, Rajiv} } @article { ISI:000247807900003, title = {Synthesis and characterization of novel polyurethanes based on 4,4 {\textquoteleft}-[1,4-phenylenedi-diazene-2,1-dlyl] bis(2-carboxyphenol) and 4,4 {\textquoteleft}-[1,4-phenylenedi-diazene-2,1-diyl] bis(2-chlorophenol) hard segments}, journal = {Reactive \& Functional Polymers}, volume = {67}, number = {6}, year = {2007}, month = {JUN}, pages = {503-514}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {azo polymers, fluorescence, hard segments, Morphology, phase separation, polyurethanes, spectroscopy, Thermal properties}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2007.02.003}, author = {Raghu, A. V. and Gadaginamath, G. S. and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @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:000248609900039, title = {Synthesis, characterization, and acoustic properties of new soluble polyurethanes based on 2,2 {\textquoteleft}-[1,4-phenylenebis(nitrilomethylylidene)diphenol and 2,2 {\textquoteleft}-[4,4 {\textquoteleft}-methylene-di-2-methylphenylene-1,1 {\textquoteleft}-bis(nitrilomethylylidene)]diphenol}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {1}, year = {2007}, month = {OCT}, pages = {299-308}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {infrared spectroscopy, NMR, phase behavior, polyurethanes, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.26547}, author = {Raghu, A. V. and Gadaginamath, G. S. and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000246023000002, title = {Synthesis, characterization, and performance evaluation of polymeric hindered amine light stabilizers (HALS) in EPDM}, journal = {E-Polymers}, year = {2007}, month = {APR}, pages = {Article No. 038}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

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

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

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

}, keywords = {alpha-Aminophosphonates, Antibacterial}, issn = {1424-6376}, author = {Prasad, Gandavaram Syam and Krishna, Jadaprolu Radha and Manjunath, Manubolu and Reddy, Obulam Vijaya Sarathi and Krishnaiah, Musali and Reddy, Cirandur Suresh and Puranik, Vedavati G.} } @article { ISI:000248175000038, title = {Synthesis of La0.7Sr0.3MnO3 at 800 degrees C using citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {6}, year = {2007}, month = {AUG}, pages = {1129-1132}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

}, keywords = {allylations, carbocycles, carbohydrates, Metathesis, Radical reactions}, issn = {0039-7881}, doi = {10.1055/s-2007-965899}, author = {Ramana, C. V. and Chaudhuri, Siddhartha Ray and Gurjar, Mukund K.} } @article { ISI:000245142600010, title = {Synthesis of the C19-C34 segment of amphidinolide C}, journal = {Synlett}, number = {4}, year = {2007}, month = {MAR}, pages = {567-570}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

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

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

}, keywords = {antimicrobial drug, condensation, MoO3/SiO2, Oxidation, solid acid catalyst, tinidazole}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.001}, author = {Chandorkar, J. G. and Shubhangi B. Umbarkar and Rode, C. V. and Kotwal, V. B. and Dongare, Mohan K.} } @article { 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 {42816, title = {Total syntheses of schulzeines B and C}, journal = {Journal of Organic Chemistry}, volume = {72}, year = {2007}, month = {AUG}, pages = {6591-6594}, type = {Article}, abstract = {

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

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

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

}, keywords = {4-furanose, chiron approach, Ohira-Bestmann reaction, pachastrissamine/jaspine B, pentodialdo-1, ring isomerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.048}, author = {Ramana, C. V. and Giri, Awadut G. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000244470700016, title = {Two new eudesmanolides from sphaeranthus indicus (Linn)}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {379-381}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Two new eudesmanolides have been isolated from the aerial part of Sphaeranthus indicus and their structures have been established as 11 alpha,13-dihydro-3 alpha,7 alpha-dihydroxyeudesm-4-en 6 alpha, 12-olide 1, 4-en-6 beta,7 alpha-eudesmanolide 3, on the basis of spectral data and comparison of spectral data with those of reported data of compounds 2, 4 and 5.

}, keywords = {eudesmanolides, olide, Sphaeranthus indicus}, issn = {0376-4699}, author = {Jadhav, Ravindra B. and Sonawane, Kiran B. and Deshpande, Nirmala R. and Rojatkar, Supada R.} } @article { ISI:000244008300031, title = {Varistors based on Ta-doped TiO2}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {MAR}, pages = {301-303}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The nonlinear current (I)-voltage (V) characteristics of titanium dioxide are examined when doped with small quantities (0.05-0.5 at.\%) of tantalum pentaoxide. For optimum compositions, the nonlinear coefficients are found to be in the range of 25-30 and the breakdown field strength (EB) is similar to 4000 V/cm. The obtained alpha- and E-B-values are higher than the previously reported values for TiO2 ceramics. The acceptor like surface states at the grain boundary adsorb oxygen during sintering and cooling, leading to formation of grain boundary barrier. The grain boundary barrier height (OB) is calculated using Schottky equation. (c) 2005 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ceramics, Oxides, Schottky barrier, TiO2, varistor}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.07.026}, author = {Navale, S. C. and Murugan, A. Vadivel and Ravi, V.} } @article { ISI:000253061900009, title = {[2+2+2]-cyclotrimerization approach for the synthesis of enantiopure isochromans using a carbohydrate derived dialkyne template}, journal = {Tetrahedron Letters}, volume = {49}, number = {3}, year = {2008}, month = {JAN}, pages = {445-448}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An easy access to enantiopure isochromans through cross alkyne trimerization of a glucose derived dialkyne was developed. One of the synthesized isochromans was converted into a novel tricyclic nucleoside by simple transformations. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {isochroman, tricyclic nucleoside, Vorbruggen reaction, Wilkinson{\textquoteright}s catalyst, [2+2+2]-Cyclotrimerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.11.103}, author = {Ramana, C. V. and Suryawanshi, Sharad B.} } @article { ISI:000254804700001, title = {2(7-3) fractional factorial optimization of polybenzimidazole based membrane electrode assemblies for H-2/O-2 fuel cells}, journal = {Journal of Applied Electrochemistry}, volume = {38}, number = {5}, year = {2008}, month = {MAY}, pages = {583-590}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Carbon loading, Fractional factorial optimization, MEA, PBI, PEMFC}, issn = {0021-891X}, doi = {10.1007/s10800-007-9475-1}, author = {Kannan, Ramaiyan and Islam, Md. Nazrul and Rathod, D. and Vijay, M. and Kharul, Ulhas K. and Ghosh, P. C. and Vijayamohanan, K.} } @article { ISI:000260978000002, title = {Active sites in vanadia/titania catalysts for selective aerial oxidation of beta-picoline to nicotinic acid}, journal = {Journal of Catalysis}, volume = {259}, number = {2}, year = {2008}, month = {OCT}, pages = {165-173}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Vanadia/titania catalysts with varying vanadium content were prepared by impregnation using three different titania carrier materials of varying surface area, The structure of active vanadium species for beta-picoline oxidation was investigated. Vanadium is mainly in the +5 oxidation state as revealed by electron paramagnetic resonance (EPR) and V-51 magic-angle spinning nuclear magnetic resonance (V-51 MAS NMR) spectroscopy techniques. Diffuse reflectance UV-visible (DRUV-vis) spectroscopy and spectral deconvolution enabled identification of at least five different types of vanadium oxide species in these catalysts: monomeric tetrahedral VO43-, polymeric distorted tetrahedral VO3-, square pyramidal V2O5, octahedral V2O62- and V4+ oxide species. While both VO43- and VO3- species are active in beta-picoline oxidation, the latter having a distorted tetrahedral geometry yielded the desired products-picolinaldehyde and nicotinic acid. High surface area, anatase structure for the support and dispersed, distorted tetrahedral vanadium oxide species are the key parameters determining the activity and selectivity of these oxidation catalysts. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Active vanadium species, Nicotinic acid, Oxidation of beta-picoline, Selective aerial oxidation, Spectroscopic investigations, Vanadia/titania}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.07.019}, author = {Srinivas, Darbha and Hoelderich, Wolfgang F. and Kujath, Steffen and Valkenberg, Michael H. and Raja, Thirumalaiswamy and Saikia, Lakshi and Hinze, Ramona and Ramaswamy, Veda} } @article { ISI:000258460400012, title = {Adsorption of sulfonated dyes by polyaniline emeraldine salt and its kinetics}, journal = {Journal of Physical Chemistry B}, volume = {112}, number = {33}, year = {2008}, month = {AUG}, pages = {10153-10157}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A method for the removal of anionic (sulfonated) dyes from aqueous dye solutions using the chemical interaction of dye molecules with polyaniline is reported. Polyaniline (PANI) emeraldine salt was synthesized by chemical oxidation. Sulfonated dyes undergo chemical interactions with the charged backbone of PANI, leading to significant adsorption of the dyes. This phenomenon of selective adsorption of the dyes by PANI is reported for the first time and promises a green method for removal of sulfonated organics from wastewater. The experimental observations from UV-vis spectroscopy, X-ray diffraction, and conductivity measurements rule out the possibility of secondary doping of polyaniline salt by sulfonated dye molecules. A possible mechanism for the chemical interaction between the polymer and the sulfortated dye molecules is proposed. The kinetic parameters for the adsorption of sulfonated dyes on PANI are also reported.

}, issn = {1520-6106}, doi = {10.1021/jp803903x}, author = {Mahanta, Debajyoti and Madras, Giridhar and Radhakrishnan, S. and Patil, Satish} } @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:000255318800037, title = {Asymmetric synthesis of (S)-vigabatrin (R) and (S)-dihydrokavain via cobalt catalyzed hydrolytic kinetic resolution of epoxides}, journal = {Tetrahedron Letters}, volume = {49}, number = {16}, year = {2008}, month = {APR}, pages = {2646-2648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise route to the asymmetric synthesis of (S)-vigabatrin(R) and (S)-dihydrokavain has been described using Co-catalyzed hydrolytic kinetic resolution of racemic epoxides and regiospecific opening of terminal epoxides with dimethylsulfonium methylide as the key steps. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.02.064}, author = {Raj, I. Victor Paul and Sudalai, A.} } @article { ISI:000255698500035, title = {Carbohydrate-based approach for the total synthesis of aculeatin D and 6-epi-aculeatin D}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {10}, year = {2008}, month = {MAY}, pages = {3915-3918}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A concise approach for the total synthesis of aculeatin D and 6-epi-aculeatin D employing differentially protected anti,anti-1,3,5-triol alkyne prepared from alpha-D-glucoheptonic-gamma-lactone derivative is documented. Phenol protecting group manipulation for selective O-debenzylation during the hydrogenation of the diyne intermediate and one-pot phenolic oxidation with concomitant spiroketalization highlight the accomplished total synthesis.

}, issn = {0022-3263}, doi = {10.1021/jo800026n}, author = {Ramana, C. V. and Srinivas, Burgula} } @article { ISI:000256892200001, title = {Catalytic hydrogenation of 2-butyne-1,4-diol: activity, selectivity and kinetics studies}, journal = {Journal of the Japan Petroleum Institute}, volume = {51}, number = {3}, year = {2008}, month = {MAY}, pages = {119-133}, publisher = {JAPAN PETROLEUM INST}, type = {Article}, address = {YOYU-KANDA BLDG. 4F, 1-8-4 KANDASUDA-CHO, CHIYODA-KU, TOKYO, 108-0041, JAPAN}, abstract = {

The reaction pathway for hydrogenation of 2-butyne-1,4-diol involves parallel and consecutive isomerization as well as hydrogenation reactions forming other side products along with cis-2-butene-1,4-diol and butane-1,4-diol. Hence, achieving the highest selectivity to butene- and/or butanediol is critical from industrial point of view. Hydrogenation of butynediol is also of fundamental significance, due to its adsorption characteristics leading to the formation of active species and their role in determining the product distribution. Studies on designing various catalyst systems including colloidal as well supported palladium nanoparticles for the hydrogenation of butynediol, role of additives, catalyst pretreatment, kinetic studies carried out in our group has been presented in this review. Interestingly, almost complete selectivity to the intermediate olefinic diol was achieved with 1\% Pd/CaCO3-NH3 catalyst system. This could be due to the competitive adsorption of ammonia on the palladium surface along with the substrate 2-butyne-1,4-diol. Studies on catalyst pretreatment and kinetics using palladium catalyst have also been presented here. Nanostructure palladium both colloidal as well as supported catalysts showed a very high catalytic activity (10-40 times more) in the hydrogenation 2-butyne-1,4-diol to cis-2-butene-1,4-diol compared with the corresponding conventional Pd catalysts. For platinum based catalysts, formation of side products was completely eliminated in the hydrogenation of butyne diol. The increase in the basic strength of alkali metal doped Pt catalysts measured by CO2-TPD, led to the increase in electron density of Pt hence, faster desorption and higher selectivity to butenediol. In the case of continuous hydrogenation, the selectivity pattern was completely different from that found in the case of batch slurry reactor and by varying the contact time, the selectivity to both butene- and butanediols could be varied over a wide range of conditions.

}, keywords = {2-butene-1, 2-butyne-1, 4-diol, alkali metal doping, catalyst pretreatment, nano palladium catalyst, Selective hydrogenation}, issn = {1346-8804}, doi = {10.1627/jpi.51.119}, author = {Rode, Chandrashekhar V.} } @article { ISI:000207604400003, title = {CFD modeling of rotary cement kilns}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {3}, number = {2}, year = {2008}, month = {APR}, pages = {106-118}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Rotary cement kilns are widely used to convert calcineous raw meal into cement clinker, and are key components in the cement industry. In this article, we report a comprehensive computational fluid dynamics (CFD)-based model to capture key transport processes in rotary cement kilns. Separate but coupled computational models were developed for the bed and the freeboard regions of the rotary kiln. The complex swirling airflow produced by kiln burners, coal combustion, gas-phase combustion of volatile matter and radiative heat transfer in the freeboard region were modeled. The clinkerization reactions in the bed region were modeled assuming solids as pseudo fluids. Coating formation in cement kilns (for both bed and freeboard regions) was considered. Appropriate source and sink terms were developed to model transfer of CO(2) from the bed to the freeboard region due to calcination reaction in the bed region. The developed bed and freeboard models were coupled by mass and energy communication through common interface. These coupled computational models were able to quite satisfactorily predict the available data from industrial kilns and previously published results. The computational models were also able to capture the intricacies of the burning zones of rotary cement kilns for changing burner-operational parameters like axial to swirl ratio and oxygen enrichment. The developed approach, computational models and simulation results will not only help in developing better understanding of cement kilns but also provide quantitative information about influence of burner design and other design parameters on kiln performance. (C) 2008 Curtin University of Technology and John Wiley \& Sons, Ltd.

}, keywords = {burner, CFD, coal combustion, rotary cement kiln}, issn = {1932-2143}, doi = {10.1002/apj.123}, author = {Mujumdar, Kaustubh S. and Ranade, Vivek V.} } @article { ISI:000258442800009, title = {CFD simulation of gas-liquid flows in a reactor stirred by dual rushton turbines}, journal = {International Journal of Chemical Reactor Engineering}, volume = {6}, year = {2008}, month = {JAN}, pages = {Article No. A60}, publisher = {BERKELEY ELECTRONIC PRESS}, type = {Article}, address = {2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USA}, abstract = {

In the present work, we have simulated gas-liquid flows in a tall stirred reactor equipped with dual Rushton turbines. A two fluid model along with the standard k-epsilon turbulence model and modified drag coefficient, (proposed by Khopkar \& Ranade, 2006) accounting for the effect of bulk turbulence, was used to simulate the dispersed gas-liquid flow in a stirred reactor. The multiple reference frames (MRF) approach was used to simulate impeller rotation in a fully baffled reactor. The computational model was mapped on to a commercial solver FLUENT 6.2 (of Fluent Inc. USA). The model was used to simulate three distinct flow regimes in a gas-liquid stirred reactor: L33-VC (lower impeller-upper impeller), S33-VC and VC-VC. The model predictions were compared with the published experimental data of Bombac \& Zun (2000). The predicted results show good agreement with the experimental data for all the three flow regimes. The computational model presented in this work would be useful for simulating different flow regimes in a gas-liquid stirred vessel.

}, keywords = {computational fluid dynamics, dual Rushton turbine, Flow regimes, gas hold-up distribution, stirred reactor}, issn = {1542-6580}, author = {Kasat, Gopal R. and Pandit, Aniruddha B. and Ranade, V. V.} } @article { ISI:000258368000004, title = {CFD simulation of liquid-phase mixing in solid-liquid stirred reactor}, journal = {Chemical Engineering Science}, volume = {63}, number = {15}, year = {2008}, month = {AUG}, pages = {3877-3885}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A comprehensive CFD model was developed to gain an insight into solid suspension and its implications on the liquid-phase mixing process in a solid-liquid stirred reactor. The turbulent solid-liquid flow in a stirred reactor was simulated using a two-fluid model with the standard k-epsilon. turbulence model with mixture properties. The multiple reference frames (MRFs) approach was used to simulate impeller rotation in a fully baffled reactor. The computational model with necessary sub-models was mapped on to a commercial solver FLUENT 6.2 (of Fluent Inc., USA). The predicted solid concentration distribution was compared with the experimental data of Yamazaki et al. [ 1986. Concentration profiles of solids suspended in a stirred tank. Powder Technology 48, 205-216]. The computational model was then further extended to simulate and understand the implications of the suspension quality on liquid-phase mixing process. The computational model and the predicted results discussed here will be useful for understanding the liquid-phase mixing process in stirred slurry reactors in various stages of solid suspension. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {CFD, mixing, solid suspension, stirred reactor}, issn = {0009-2509}, doi = {10.1016/j.ces.2008.04.018}, author = {Kasat, Gopal R. and Khopkar, A. R. and Ranade, V. V. and Pandita, A. B.} } @article { ISI:000259799300016, title = {C-glycosides of dodecanoic acid: new capping/reducing agents for glyconanoparticle synthesis}, journal = {Tetrahedron Letters}, volume = {49}, number = {43}, year = {2008}, month = {OCT}, pages = {6227-6230}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise synthesis of 12-C-glycosylated dodecanoic acids employing an olefin cross-metathesis reaction is developed. Examination of these acids as capping agents for the synthesis of metal nanoparticles reveals that they do not cap the Co-metal nanoparticles synthesized in aqueous phase, but that two of them can reduce and cap the Ag nanoparticles in water without any aggregation. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {C-Glycosides, Cross metathesis, glyconanoparticles, Grubbs{\textquoteright} catalyst, silver nanoparticles}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.08.030}, author = {Ramana, C. V. and Durugkar, Kulbhushan A. and Puranik, Vedavati G. and Narute, Sachin B. and Bhagavatula L. V. Prasad} } @article { ISI:000258950500040, title = {Changes in dynamics of SRE-RNA on binding to the VTS1p-SAM domain studied by C-13 NMR relaxation}, journal = {Journal of the American Chemical Society}, volume = {130}, number = {36}, year = {2008}, month = {SEP}, pages = {12007-12020}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

RNA recognition by proteins is often accompanied by significant changes in RNA dynamics in addition to conformational changes. However, there are very few studies which characterize the changes in molecular motions in RNA on protein binding. We present a quantitative C-13 NMR relaxation study of the changes in RNA dynamics in the pico-nanosecond time scale and micro-millisecond time scale resulting from interaction of the stem-loop SRE-RNA with the VTS1p-SAM domain. C-13 relaxation rates of the protonated carbons of the nucleotide base and anomeric carbons have been analyzed by employing the model-free formalism, for a fully C-13/N-15-labeled sample of the SRE-RNA in the free and protein-bound forms. In the free RNA, the nature of molecular motions are found to be distinctly different in the stem and the loop region. On binding to the protein, the nature of motions becomes more homogeneous throughout the RNA, with many residues showing increased flexibility at the aromatic carbon sites, while the anomeric carbon sites become more rigid. Surprisingly, we also observe indications of a slow collective motion of the RNA in the binding pocket of the protein. The observation of increased motions on binding is interesting in the context of growing evidence that binding does not always lead to motional restrictions and the resulting entropy gain could favor the free energy of association.

}, issn = {0002-7863}, doi = {10.1021/ja8023115}, author = {Oberstrass, Florian C. and Allain, Frederic H. T. and Ravindranathan, Sapna} } @article { ISI:000254480500087, title = {Comparative study of the shape-dependent electrocatalytic activity of platinum multipods, discs, and hexagons: applications for fuel cells}, journal = {Langmuir}, volume = {24}, number = {7}, year = {2008}, month = {APR}, pages = {3576-3583}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We here demonstrate a remarkable potential-dependent morphological evolution of platinum mesostructures in the form of multipods, discs, and hexagons using a porous anodic alumina membrane (PAAM). These structures prepared potentiostatically at -0.7, -0.5 and -0.3 V, respectively, reveal unique shape-dependent electrocatalytic activity toward both formic acid and ethanol oxidation reactions. A comparison of the electrooxidation kinetics of these structures illustrates that hexagons show better performance toward formic acid oxidation whereas, for ethanol oxidation, multipods show significantly enhanced activity. Interestingly, the enhancement factor (R) for these mesostructures with respect to that of commercial platinized carbon toward formic acid oxidation ranges up to 2000\% for hexagons whereas for multipods and disc they are about 700\% and 300\%, respectively. Similarly, for ethanol oxidation, the calculated value of R varies up to 600\% for multipods while for disc and hexagons these values are 500\% and 200\%, respectively. These shape-dependent electrocatalytic activity of Pt mesostructures have been further correlated with XRD results. Thus, the present results demonstrate the importance of precise control of morphology by an electric field and their potential benefits especially for fuel cell applications since designing a better electrocatalyst for many fuel cell reactions continues to be an important challenge.

}, issn = {0743-7463}, doi = {10.1021/la702983z}, author = {Subhramannia, Mahima and Ramalyan, Kannan and Pillal, Vijayamohanan K.} } @article { ISI:000259622100005, title = {Comparison of Metarhizium isolates for biocontrol of helicoverpa armigera (Lepidoptera : Noctuidae) in chickpea}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {8}, year = {2008}, month = {FEB}, pages = {809-828}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

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

}, keywords = {appressorium formation, chitin deacetylase, chitinase, chitosanase, Helicoverpa armigera, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150802366475}, author = {Kulkarni, Shuklangi A. and Ghormade, Vandana and Kulkarni, Girish and Kapoor, Manisha and Chavan, Santosh B. and Rajendran, Armugam and Patil, Sanjay K. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000259161600016, title = {Convenient access to 1, 3,4-trisubstituted pyrazoles carrying 5-nitrothiophene moiety via 1,3-dipolar cycloaddition of sydnones with acetylenic ketones and their antimicrobial evaluation}, journal = {European Journal of Medicinal Chemistry}, volume = {43}, number = {8}, year = {2008}, month = {AUG}, pages = {1715-1720}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, type = {Article}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Novel 1-aryl-3-(5-nitro-2-thienyl)-4-aroyl-pyrazoles 7 have been synthesized by the 1,3-dipolar cycloaddition of 3-arylsydnones 3 with 1-aryl-3-(5-nitro-2-thienyl)-2-propyn- 1-ones 6. The newly synthesized compounds were well characterized by elemental analysis, IR, (1)H NMR and mass spectral studies. They were also screened for their antibacterial and antifungal activities against a variety of microorganisms and the results of such studies have been discussed in this article. (c) 2007 Elsevier Masson SAS. All fights reserved.

}, keywords = {1, 3-dipolar cycloaddition, 5-nitrothiophene, acetylenic ketone, Antibacterial, antifungal, Pyrazole, sydnone}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2007.08.002}, author = {Rai, N. Satheesha and Kalluraya, Balakrishna and Lingappa, B. and Shenoy, Shaliny and Puranik, Vedavati G.} } @article { ISI:000254698300035, title = {Co-precipitation method for preparation of Bi3TiNbO9 powders}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {675-677}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

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

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

}, keywords = {BiTaO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.074}, author = {Muthurajan, H. and Gupta, U. N. and Rituraj, B. and Rao, N. Koteswara and Pradhan, Sivaram and Radha, R. and Ravi, V.} } @article { ISI:000260728300004, title = {Cu-Ce mixed oxides supported on Al-pillared clay: effect of method of preparation on catalytic activity in the preferential oxidation of carbon monoxide}, journal = {Applied Catalysis B-Environmental}, volume = {84}, number = {1-2}, year = {2008}, month = {OCT}, pages = {21-29}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The possibility of using Al-pillared montmorillonite (Al-PILC) clay as a high-surface-area support for CuO-CeO2-based catalysts has been investigated. The preparation of the samples was done by three different methods, viz., amorphous citrate route (ACR), deposition precipitation (DP) and wet impregnation method (WIM). Samples with different CuO-CeO2 loadings (10-50 wt.\%) were prepared by each of the three methods. The catalytic activity of these samples was investigated for the preferential oxidation (PROX) of carbon monoxide (CO) in excess of H-2. The samples prepared by DP and WIM methods show better activity than the samples prepared by ACR method. At low Cu content, the samples prepared by DP method have a slight edge over samples prepared by WIM method. The DP-30 sample shows a very high CO conversion of 96.1\% at 423 K. A higher dispersion of CuO-CeO2 on pillared montmorillonite clay and better reducibility of copper oxide species may be responsible for the good activity of these samples even at lower reaction temperatures. A higher O-2/CO ratio increased the CO conversion but led to a reduction in oxidation selectivity. No methanation of CO or CO2 was observed at the reaction temperature. These CuO-CeO2/Al-PILC samples could be considered as comparable in performance with supported noble metal catalysts for the preferential oxidation of CO in excess hydrogen. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Alumina-pillared clay, Clay-supported CuO-CeO2, CuO-CeO2, PROX of CO}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2008.02.023}, author = {Ramaswamy, Veda and Malwadkar, Sachin S. and Chilukuri, Satyanarayana V.} } @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:000254736700028, title = {Differential accumulation of manganese in three mature tree species (Holoptelia, Cassia, Neem) growing on a mine dump}, journal = {Current Science}, volume = {94}, number = {5}, year = {2008}, month = {MAR}, pages = {639-643}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Three trees, including Cassia siamea (Cassia), Azadirachta indica (Neem), Holoptelia integrifolia (Holoptelia) belonging to three different families were identified from a manganese mine tailing dump. Manganese content in dump soil and in the stem, green leaves and dry, fallen leaves of the plants was determined. Values were compared with similar samples collected from normal vegetation. Under control condition, manganese content was highest in Cassia. Distribution of metal in samples collected from the dump site revealed that Holoptelia has a special ability to accumulate high amounts of manganese under stress condition followed by Cassia and Neem. There is no literature on metal accumulation in Holoptelia. Mechanism of manganese sequestration in Holoptelia is different from the other two trees growing in the same soil.

}, keywords = {Azadirachta indica, Cassia siamea, Holoptelia integrifolia, hyperaccumulator, manganese, mine dump}, issn = {0011-3891}, author = {Raju, D. and Kumar, Sunil and Mehta, Urmil J. and Hazra, Sulekha} } @article { ISI:000259484700016, title = {Direct shoot organogenesis and plant regeneration from hypocotyl explants in selected genotypes of Leucaena leucocephala - a leguminous pulpwood tree}, journal = {Indian Journal of Biotechnology}, volume = {7}, number = {3}, year = {2008}, month = {JUL}, pages = {388-393}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

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

}, keywords = {hypocotyl explants, Leucaena lucocephala, pulpwood leguminous tree, shoot organogenesis}, issn = {0972-5849}, author = {Sirisha, V. L. and Prashant, S. and Ranadheer, D. and Ramprasad, P. and Shaik, N. M. and Arha, Manish and Gupta, S. K. and Srivastava, Sarneer and Yadav, A. K. and Kulkarni, P. S. and Othalathara U. Abhilash and Khan, Bashir Mohammad and Rawal, Shuban K. and Kishor, P. B. Kavi} } @article { ISI:000256081700004, title = {Double metal cyanides as efficient solid acid catalysts for synthesis of beta-amino alcohols under solvent-free conditions}, journal = {Catalysis Letters}, volume = {123}, number = {1-2}, year = {2008}, month = {JUN}, pages = {24-31}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

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

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

}, keywords = {Combustion synthesis, Mn-ceria, Nanocomposites, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS)}, issn = {1359-6454}, doi = {10.1016/j.actamat.2007.11.035}, author = {Murugan, B. and Ramaswamy, A. V. and Srinivas, D. and Gopinath, Chinnakonda S. and Ramaswamy, Veda} } @article { ISI:000260283800018, title = {Effect of hydrodynamic cavitation on zooplankton: a tool for disinfection}, journal = {Biochemical Engineering Journal}, volume = {42}, number = {3}, year = {2008}, month = {DEC}, pages = {320-328}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Cell disruption, heat transfer, Hydrodynamic cavitation, Modelling, Wastewater treatment, Zooplankton}, issn = {1369-703X}, doi = {10.1016/j.bej.2008.08.001}, author = {Sawant, Subhash Shivram and Anil, Arga Chandrashekar and Krishnamurthy, Venkat and Gaonkar, Chetan and Kolwalkar, Janhavi and Khandeparker, Lidita and Desai, Dattesh and Mahulkar, Amit Vinod and Ranade, Vivek Vinayak and Pandit, Aniruddha Balchandra} } @article { ISI:000255689100002, title = {Effect of repeated in vitro sub-culturing on the virulence of metarhizium anisopliae against helicoverpa armigera (Lepidoptera : Noctuidae)}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {4}, year = {2008}, month = {MAY}, pages = {337-355}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The effect of repeated conidial sub-culturing of Metarhizium anisopliae on its virulence against Helicoverpa armigera (Hbner) was studied. The LT(50) observed against third instar larvae of H. armigera for the first sub-culture was 3.4 days; it increased to 4.5 and 5.6 days for the 20th and the 40th sub-cultures, respectively. The LT50 values after passage of the 40th sub-culture on H. armigera decreased to 4.4 and 3.7 days for the 40th (first in vivo) and the 40th (fifth in vivo) passages, respectively. Similarly, the LC(50) of M. anisopliae towards third instar larvae of H. armigera increased from the first sub-culture (0.17x10(4)) to (3.0x10(4)) for the 40th conidial transfers on potato dextrose agar and again decreased to 0.74x10(4) and 0.23x10(4) in the 40th (first in vivo) and the 40th (fifth in vivo) passage, respectively. Similar trends for LC(50) and LT(50) values were seen when sugarcane woolly aphid, Ceratovacuna lanigera Zehntner was used as a host. Significant variation in appressorium formation and cuticle-degrading enzyme production such as chitinase, chitin deacetylase, chitosanase and protease during subsequent sub-culturing and passage through H. armigera was observed. Though there was no effect on internal transcribed spacer (ITS) sequence pattern, interestingly, in randomly amplified polymorphic DNA (RAPD), significant differences in the band intensities and in the banding pattern for different sub-cultures of M. anisopliae were observed. As stable virulence towards the insect pest is desirable for commercialisation of a mycoinsecticide, such changes in virulence due to repeated in vitro transfer need to be monitored and minimised.

}, keywords = {appressorium formation, chitin deacetylase, chitinase, Helicoverpa armigera, in vitro sub-culturing, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150801935650}, author = {Nahar, Pallavi B. and Kulkarni, Shuklangi A. and Kulye, Mahesh S. and Chavan, Santosh B. and Kulkarni, Girish and Rajendran, Armugham and Yadav, Priya D. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000257271600056, title = {Electrochemical sensing of sulphur dioxide: a comparison using dodecanethiol and citrate capped gold nanoclusters}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {3184-3190}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

A comparison of cyclic voltammograms of dodecanethiol (DDT) capped Au nanoclusters (5.0 +/- 0.5 nm) and trisodium citrate (Cit) capped Au nanoclusters (similar to 10-15 nm) modified glassy carbon electrode shows a dramatic variation in the current when exposed to a small amount of sulphur dioxide. This is explained using the electrocatalytic properties of Au nanoclusters towards the oxidation of SO2, thus facilitating the fabrication of electrochemical sensors for the detection of SO2. The intrinsic redox changes observed for gold nanocluster-modified glassy carbon electrodes disappear on passing SO2, despite a dramatic current increase, which indeed scales up with the amount of dissolved SO2. Interestingly, a complete rejuvenation of the redox behavior of gold is also observed on subsequent removal of SO2 from the solution by passing pure nitrogen for 15 minutes. Further, these nanoclusters when characterized with X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) after SO2 passage reveal a variety of SO2 adsorption modes on gold surface. XP spectra also show a shift of 1.03 eV towards higher binding energy indicating a strong adsorption of SO2 gas, while FTIR gives conclusive evidence for the interaction of SO2 with gold nanoparticles.

}, keywords = {cyclic voltammetry, Fourier transform infrared spectroscopy, monolayer protected gold nanoclusters (Au-MPCs), SO2 sensor, X-ray photoelectron spectra}, issn = {1533-4880}, doi = {10.1166/jnn.2008.094}, author = {Sathe, Bhaskar R. and Risbud, Mandar S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000260051800014, title = {Enhancement of glycerol conversion to acetol in high-temperature liquid water by high-pressure carbon dioxide}, journal = {Chemistry Letters}, volume = {37}, number = {9}, year = {2008}, month = {SEP}, pages = {926-927}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Dehydration of glycerol to acetol proceeded in high-temperature liquid water at 573 K in a batch reactor. The acetol formation rate increased with an addition of high-pressure carbon dioxide.

}, issn = {0366-7022}, doi = {10.1246/cl.2008.926}, author = {Yamaguchi, Aritomo and Hiyoshi, Norihito and Sato, Osamu and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000255107700017, title = {EPR and DRS evidence for NO2 sensing in Al-doped ZnO}, journal = {Sensors and Actuators B-Chemical}, volume = {130}, number = {2}, year = {2008}, month = {MAR}, pages = {668-673}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {aluminum doping, DRS, EPR, NO2 sensor, ZnO}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.10.055}, author = {Navale, Shalaka C. and Ravi, V. and Srinivas, D. and Mulla, Imtiaz S. and Gosavi, S. W. and Kulkarni, S. K.} } @article {42610, title = {Erosion of a granular bed driven by laminar fluid flow}, journal = {Journal of Fluid Mechanics}, volume = {605}, year = {2008}, month = {JUN}, pages = {47-58}, type = {Article}, abstract = {

Motivated by examples of erosive incision of channels in sand, we investigate the motion of individual grains in a granular bed driven by a laminar fluid to give us new insights into the relationship between hydrodynamic stress and surface granular flow. A closed cell of rectangular cross-section is partially filled with glass beads and a constant fluid flux Q flows through the cell. The refractive indices of the fluid and the glass beads are matched and the cell is illuminated with a laser sheet, allowing us to image individual beads. The bed erodes to a rest height hr which depends on Q. The Shields threshold criterion assumes that the non-dimensional ratio θ of the viscous stress on the bed to the hydrostatic pressure difference across a grain is sufficient to predict the granular flux. Furthermore, the Shields criterion states that the granular flux is non-zero only for θ \> θc. We find that the Shields criterion describes the observed relationship hr ∝ Q1/2 when the bed height is offset by approximately half a grain diameter. Introducing this offset in the estimation of θ yields a collapse of the measured Einstein number q* to a power-law function of θ - θc with exponent 1.75 {\textpm} 0.25. The dynamics of the bed height relaxation are described well by the power-law relationship between the granular flux and the bed stress.

}, doi = {10.1017/S0022112008001389}, author = {Lobkovsky Alexander E. and Orpe, Ashish V. and Molloy, Ryan and Kudrolli, Arshad and Rothman, D. H.} } @article { ISI:000257280500014, title = {Expeditious one-step entry to the tetracyclic core of integrastatins}, journal = {Chemical Communications}, number = {27}, year = {2008}, month = {MAY}, pages = {3151-3153}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

}, issn = {0366-7022}, doi = {10.1246/cl.2008.194}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Seth, Tanay and Amalnerkar, Dinesh P.} } @article { ISI:000263598900010, title = {Fast decay of the velocity autocorrelation function in dense shear flow of inelastic hard spheres}, journal = {EPL}, volume = {84}, number = {6}, year = {2008}, month = {DEC}, pages = {64003}, publisher = {EDP SCIENCES S A}, type = {Article}, address = {17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE}, abstract = {

We find in complementary experiments and event-driven simulations of sheared inelastic hard spheres that the velocity autocorrelation function psi(t) decays much faster than t(-3/2) obtained for a fluid of elastic spheres at equilibrium. Particle displacements are measured in experiments inside a gravity-driven flow sheared by a rough wall. The average packing fraction obtained in the experiments is 0.59, and the packing fraction in the simulations is varied between 0.5 and 0.59. The motion is observed to be diffusive over long times except in experiments where there is layering of particles parallel to boundaries, and diffusion is inhibited between layers. Regardless, a rapid decay of psi(t) is observed, indicating that this is a feature of the sheared dissipative fluid, and is independent of the details of the relative particle arrangements. An important implication of our study is that the non-analytic contribution to the shear stress may not be present in a sheared inelastic fluid, leading to a wider range of applicability of kinetic theory approaches to dense granular matter. Copyright (C) EPLA, 2008

}, issn = {0295-5075}, doi = {10.1209/0295-5075/84/64003}, author = {Orpe, Ashish V. and Kumaran, V. and Reddy, K. Anki and Kudrolli, Arshad} } @article { ISI:000255046700003, title = {Flow pattern in vortex diode: experiments and CFD simulations}, journal = {AICHE Journal}, volume = {54}, number = {5}, year = {2008}, month = {MAY}, pages = {1139-1152}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Vortex diodes are used as leaky nonreturn valves in applications, where it is desirable to avoid valves with moving parts. Despite their use in practice for several decades, no detailed analysis of the flow inside the vortex diodes is available. A strategy was derived for the CFD simulations of the vortical flow in diodes. A good agreement was seen between pressure drop (Delta P) across the inlet-outlet ports from CFD simulations, and the experimental data for five diode sizes. The simulations showed that in the reverse flow situation tangential velocity was dominant and resulted in conservation of angular momentum in the chamber until it reaches the axial exit port. This vortical motion induced a significant pressure drop (Delta P-r). The axial velocity gradient over the chamber cross-section helps in inducing relaminarization of the flow. In the forward flow mode, the fluid gets distributed radially over the chamber and exits through the tangential port, yielding low Delta P-f. The analysis showed that the performance of a diode is strongly affected by diode geometry, size, aspect ratio, nozzle configuration and Reynolds number. Among different configurations, the nozzles with entry port size equal to diode yielded higher diodicity. Simulations showed that using angle of divergence for diffuser sections of nozzles of the order of 7 degrees exhibited higher diodicity than smaller angles. It was also observed that at higher flow rates significantly higher diodicity was obtained using axial nozzles with larger radius of curvature for expander section. The modeling methodology and results presented will be useful for evolving better designs of vortex diodes.

}, keywords = {CFD, Diodicity, pressure drop, relaminarization, Vortex diode}, issn = {0001-1541}, doi = {10.1002/aic.11439}, author = {Kulkarni, Amol A. and Ranade, V. V. and Rajeev, R. and Koganti, S. B.} } @article { ISI:000256212400012, title = {Foldamers with unusual structural architecture from spirobi(indane) building blocks}, journal = {Chemical Communications}, number = {22}, year = {2008}, month = {JUN}, pages = {2541-2543}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/b800825f}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000260776600007, title = {Functionalization of single-walled carbon nanotubes with azides derived from amino acids using click chemistry}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {7}, year = {2008}, month = {JUL}, pages = {3351-3356}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Single-walled carbon nanotubes (SWCNTs) were chemically functionalized with amino acid-based moieties. The covalent functionalization of alkyne-derived SWCNTs with well defined azides derived from amino acids was accomplished through Cu(I)-catalyzed Huisgen [3+2] dipolar cycloaddition click chemistry. Transmission electron microscopy, Raman spectroscopy, and infrared spectroscopic measurements confirmed the functionalization of SWCNTs by organic molecules derived from amino acids, and the resulting material showed some good solubility in the organic solvents such as tetrahydrofuran, CH2Cl2, and CHCl3.

}, keywords = {Amino acids, Carbon nanotubes, Click chemistry, Functionalization}, issn = {1533-4880}, doi = {10.1166/jnn.2008.109}, author = {Kumar, Indresh and Rana, Sravendra and Rode, Chandrashakher V. and Cho, Jae Whan} } @article { ISI:000254624600015, title = {Gelatin hydrogels: enhanced biocompatibility, drug release and cell viability}, journal = {Journal of Materials Science-Materials in Medicine}, volume = {19}, number = {6}, year = {2008}, month = {JUN}, pages = {2351-2358}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Biodegradability and enhanced biocompatibility with pH-sensitivity of hydrogels are becoming very important issues for biomaterials applications so as to minimize the host-body reactions such as, inflammatory, antigenic, and immunogenic problems. This study involves development of hydrogel matrices of gelatin conjugated/modified with highly hydrophilic, pH-sensitive and biocompatible polymer, poly (2-ethyl-2-oxazoline) and glyoxylic acid respectively. Various compositions of gelatin conjugated/modified with poly (2-ethyl-2-oxazoline) (gp) and glyoxylic acid (gg) were synthesized. The swelling kinetics, cell viability and drug release capability from the gels at pH 4.5 and 7.4 were investigated. The results of swelling kinetics showed that, both the degree of swelling (DS) and the maximum degree of swelling (MDS) increased as function of modification (increase in modification) and pH with an increase of time, which is due to increase in ionic groups. The drug-release (1\% chlorhexidine) studies at pH 7.4 and 4.5 confirmed a proportional drug release with an increase in degree of swelling. The results of in-vitro cytotoxicity tests using mouse embryonic 3T3 fibroblast cells indicated, an improved cell viability for gelatin gels conjugated/modified with poly (2-ethyl-2-oxazoline) (gp) and glyoxylic acid (gg) gels, when compared with 1\% glutaraldehyde cross-linked gelatin gels (gx). Hence, cross-linked gelatin gels can be replaced with gp/gg for potential use in biomedical applications as a matrix for drug delivery.

}, issn = {0957-4530}, doi = {10.1007/s10856-007-3334-9}, author = {Rathna, G. V. N.} } @article { ISI:000254883500012, title = {Gelation of covalently edge-modified laponites in aqueous media. 1. rheology and nuclear magnetic resonance}, journal = {Journal of Physical Chemistry B}, volume = {112}, number = {15}, year = {2008}, month = {APR}, pages = {4536-4544}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We describe the covalent modification of the edges of laponite with organic groups and the influence of this modification on gelation behavior. We compare three materials: an unmodified laponite, a laponite edge modified with a trimethyl moiety (MLap), and an octyldimethyl moiety (OLap). Gelation is investigated using rheology and NMR T-1 relaxation measurements and nuclear Overhauser enhancement spectroscopy (NOESY). MLap and OLap show qualitatively different gelation. Gelation of MLap is very similar to laponite: MLap gels over the same time scale as laponite and has about the same solid modulus, and the MLap gel is almost as transparent as laponite. In contrast, OLap gels rapidly relative to laponite and forms a weak, turbid gel. We believe that gelation in laponite and MLap results from the formation of a network of well-dispersed platelets (or a few platelets), while in OLap, gelation results from a network of stacks of several platelets. NMR relaxation measurements indicate that gelation does not affect the average relaxation of water protons. However, T, increases marginally for the protons in the organic moieties in MLap and decreases for protons in the organic moieties in OLap. Relaxation measurements, analyses of line width, and NOESY taken together suggest that, in OLap, gelation is a consequence of association of the organic moieties on the laponite edges, and that this association strengthens with time. Thus, the time-dependent changes in NMR suggest a structural origin for the time-dependent changes in the rheological behavior.

}, issn = {1520-6106}, doi = {10.1021/jp710489n}, author = {Patil, Suhas P. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Mahesh, T. S. and Kumaraswamy, Guruswamy} } @article { ISI:000207604400001, title = {Guest editorial: computational fluid dynamics}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {3}, number = {2}, year = {2008}, month = {MAR}, pages = {95-96}, publisher = {JOHN WILEY \& SONS INC}, type = {Editorial Material}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, issn = {1932-2143}, doi = {10.1002/apj.130}, author = {Ranade, Vivek V. and Pareek, Vishnu} } @article { ISI:000255086600041, title = {Highly active nanostructured Co3O4 catalyst with tunable selectivity for liquid phase air oxidation of p-cresol}, journal = {Chemistry Letters}, volume = {37}, number = {3}, year = {2008}, month = {MAR}, pages = {310-311}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

This is a first report of highly efficient heterogeneous nanostructured Co3O4 catalyst (6-8 nm) having high surface area (95 m(2)/g) developed for selective liquid phase air oxidation of p-cresol under atmospheric pressure conditions.

}, issn = {0366-7022}, doi = {10.1246/cl.2008.310}, author = {Kshirsagar, Vikas S. and Vijayanand, Subramanian and Potdar, Hari S. and Joy, Pattayil Alias and Patil, Kashinath R. and Rode, Chandrashekhar V.} } @article { ISI:000252293400023, title = {Hydrogenation activity and selectivity behavior of supported palladium nanoparticles}, journal = {Catalysis Communications}, volume = {9}, number = {3}, year = {2008}, month = {MAR}, pages = {441-446}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {butynediol, Catalytic hydrogenation, nanosize palladium, Selective hydrogenation, SEM-EDX analysis, size distribution, supported Pd nanoparticles}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.07.023}, author = {Nadgeri, J. M. and Telkar, M. M. and Rode, C. V.} } @article { ISI: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:000256200500004, title = {Improved pulse schemes for separated local field spectroscopy for static and spinning samples}, journal = {Solid State Nuclear Magnetic Resonance}, volume = {33}, number = {3}, year = {2008}, month = {MAR}, pages = {57-63}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

An improved pulse sequence for SLF experiments based on the magic sandwich (MS) scheme for homonuclear dipolar decoupling is proposed. The sequence incorporates a double MS, both on I and S spins and has been named as EXE-MS2. The proposed scheme which has a scaling factor of 1 is observed to be free from low intensity artifacts and provides better line-widths particularly for S spins labeled at multiple sites. The pulse sequence which has been applied on static oriented samples incorporates the EXE scheme where direct polarization of the S spin in the B-0 field is utilized in the place of polarization inversion and is observed to perform well without any loss of sensitivity while ensuring considerable reduction in rf power input into the sample. The EXE scheme has also been tested for solid samples under MAS. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {magic sandwich pulses, PISEMA, SLF}, issn = {0926-2040}, doi = {10.1016/j.ssnmr.2008.03.001}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Ramanathan, K. V.} } @article { ISI:000262377000003, title = {In situ synthesis of ligand reduced/capped silver nanoparticles and the effect of temperature and ligand structure on the size of silver nanoparticles}, journal = {Journal of Chemical Sciences}, volume = {120}, number = {6}, year = {2008}, note = {International Conference on Molecules and Materials - New Directions, Bangalore, INDIA, DEC 04, 2008}, month = {JAN}, pages = {515-520}, publisher = {INDIAN ACAD SCIENCES}, type = {Article, Proceedings Paper}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

We report in situ synthesis of silver nanoparticles using biosurfactants called sophorolipids as reducing and capping agents. We further study the effect of temperature and the structure of sophorolipid on the size of silver nanoparticles obtained. The silver nanoparticles were characterized by UV-visible, transmission electron microscope (TEM) and light scattering (DLS) analysis techniques.

}, keywords = {dynamic light scattering, Nucleation and growth, silver nanoparticles, Sophorolipid}, issn = {0974-3626}, doi = {10.1007/s12039-008-0080-6}, author = {Kasture, M. B. and Patel, P. and Prabhune, Asmita and Ramana, C. V. and Kulkarni, A. A. and Bhagavatula L. V. Prasad} } @article { ISI:000262395200001, title = {Influence of alkali metal doping on surface properties and catalytic activity/selectivity of CaO catalysts in oxidative coupling of methane}, journal = {Journal of Natural Gas Chemistry}, volume = {17}, number = {4}, year = {2008}, month = {DEC}, pages = {313-320}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Surface properties viz. surface area, basicity/base strength distribution, and crystal phases) of alkali metal doped CaO (alkali metal/Ca = 0.1 and 0.4) catalysts and their catalytic activity/selectivity ill oxidative coupling of methane (OCM) to higher hydrocarbons at different reaction conditions (viz. temperature. 700 and 750 degrees C: CH(4)/O(2) ratio. 4.0 and 8.0 and space velocity. 5140-20550 cm(3). g(-1).h(-1)) have been investigated. The influence of catalyst calcination temperature on the activity/selectivity has also been investigated. The surface properties (viz. surface area, basicity/base strength distribution) and catalytic activity/selectivity of the alkali metal doped CaO Catalysts are strongly influenced by the alkali metal promoter and its concentration in the alkali metal doped CaO catalysts. An addition of alkali Metal promoter to CaO results in a large decrease in the surface area but a large increase in the surface basicity (strong basic sites) and the C(2+) Selectivity and yield of the catalysts in the OCM process. The activity and selectivity are strongly influenced by the catalyst calcination temperature. No direct relationship between surface basicity and catalytic activity/selectivity has been observed. Among the alkali metal doped CaO catalysts. Na-CaO (Na/Ca = 0.1. before calcination) catalyst (calcined at 750 degrees C), showed best performance (C(2+) selectivity of 68.8\% with 24.7\% methane conversion), whereas (lie poorest performance was shown by the Rb-Cao Catalyst in the OCM process.

}, keywords = {alkali metal doped CaO catalysts, basicity/base strength distribution, catalytic activity/selectivity, oxidative coupling of methane}, issn = {1003-9953}, author = {Rane, V. H. and Chaudhari, Sopan T. and Choudhary, Vasant R.} } @article { ISI:000254901800024, title = {Influence of electronic factors on palladium-mediated cycloisomerization: a systematic investigation of competitive 5-exo-dig versus 6-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {64}, number = {1}, year = {2008}, month = {JAN}, pages = {219-233}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {C-alkynyl furanose, cycloisomerization, enol ether, Palladium, Spiroketal}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.10.072}, author = {Ramana, C. V. and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000253700400019, title = {Integrated process for extraction and purification of alcohol dehydrogenase from Baker{\textquoteright}s yeast involving precipitation and aqueous two phase extraction}, journal = {Biochemical Engineering Journal}, volume = {38}, number = {3}, year = {2008}, month = {MAR}, pages = {414-420}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The potential of aqueous two phase extraction for the purification of alcohol dehydrogenase (ADH) from Baker{\textquoteright}s yeast (Saccharomyces cerevisiae) is demonstrated. An integrated process involving precipitation followed by aqueous two phase extraction (ATPE) is used for effective recovery of the enzyme. This is carried out in two schemes. In the first scheme, ammonium sulphate precipitation is carried out followed by ATPE of the precipitate after suspending it in buffer. While the second scheme involves polyethylene glycol precipitation followed by ATPE of the supernatant. The effect of various process parameters such as molecular weight of polymer, tie line length, phase volume ratio and neutral salt is investigated for enhancing the activity recovery of ADH. First scheme resulted in about 85\% enzyme activity recovery of ADH with purification factor of 4.2 while the second scheme about 90\% enzyme activity recovery with 6.6-fold purification. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Alcohol dehydrogenase, aqueous two phase extraction, enzyme extraction, Precipitation, Purification, Yeast}, issn = {1369-703X}, doi = {10.1016/j.bej.2007.08.007}, author = {Madhusudhan, M. C. and Raghavarao, K. S. M. S. and Nene, Sanjay} } @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:000257961500018, title = {Isolation and heterologous expression of PHA synthesising genes from Bacillus thuringiensis R1}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {24}, number = {9}, year = {2008}, month = {SEP}, pages = {1769-1774}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The polyhydroxyalkanoate biosynthesis gene locus from Bacillus thuringiensis R1 was isolated, cloned and analyzed at the molecular level. We found that a similar to 5 kb SacI-ClaI digested fragment of genomic DNA from B. thuringiensis R1 encoding the PHA synthesising genes, conferred PHA producing ability to E. coli. The fragment was sequenced and found to be of 4787 bp with five open reading frames. Sequence alignment with closely related species of Bacillus in the existing database revealed that the ORFs correspond to phaP, phaQ, phaR, phaB and phaC genes. However, E. coli harboring phaP, phaQ, phaR, phaB and phaC locus produced very low PHA. Furthermore, complementation of the locus with phaA from Ralstonia eutropha increased the PHA production in the recombinant E. coli from 3.0\% to 24\% of cell dry mass. The putative promoter regions and ribosome binding sites were identified for each of the gene. Conserved domains for PHA synthase and aceto-acetyl-coA reductase were also identified. We hence conclude that the PHA operon of Bacillus thuringiensis R1 consists of phaP, phaQ, phaR, phaB, phaC and complementation of the same with phaA is accountable for its high PHA production.

}, keywords = {aceto-acetyl-coA reductase, Bacillus thuringiensis R1, PHA synthase, polyhydroxyalkanoate}, issn = {0959-3993}, doi = {10.1007/s11274-008-9669-7}, author = {Desetty, Rohini D. and Mahajan, Vineet S. and Khan, Bashir Mohammad and Rawal, Shuban K.} } @article { ISI:000254820000016, title = {La0.67Ce0.03Sr0.3MnO3-coupled microwave assisted ultra-fast synthesis of nanocrystalline cobalt oxide and Bismuth oxide}, journal = {Materials Letters}, volume = {62}, number = {10-11}, year = {2008}, month = {APR}, pages = {1511-1513}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Citrate gel method, Manganites, Microwave, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.09.013}, author = {Rajagopal, Rajashree and Mona, J. and Joshi, Rakesh S. and Kale, Sangeeta N. and Pradhan, Sivararn and Gaikwad, A. B. and Ravi, V.} } @article { ISI:000260803700002, title = {Lacunary Keggin type polyoxotungstates in conjunction with a phase transfer catalyst: an effective catalyst system for epoxidation of alkenes with aqueous H2O2}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {294}, number = {1-2}, year = {2008}, month = {OCT}, pages = {8-13}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Na-9[SbW9O33] in conjunction with a phase transfer catalyst (methyl tricapryl ammonium chloride) is a highly efficient catalytic system for the selective epoxidation of alkenes with aqueous H2O2 as the oxidant. Importantly, the reactions can be carried out in the absence of any organic solvents. The alkene epoxidation reactions with both, a transition metal ion substituted polyoxotungstate as well as a transition metal ion free polyoxotungstate precursor indicates that the tungstate group is the active center for the oxidation reaction. It was also observed that the transition metal ion does not play any significant role in the reaction. IR studies support the formation of tungsten-peroxo species and also show that the catalyst is stable in the presence of phase transfer catalyst when aqueous H2O2 is used as an oxidant. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {alkenes, Aqueous H2O2, epoxidation, Na-9[SbW9O33], Phase transfer catalyst, polyoxometalates}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.07.003}, author = {Ingle, Rohit H. and Raj, N. K. Kala} } @article { ISI:000255130000001, title = {Lipase enzyme immobilization on synthetic beaded macroporous copolymers for kinetic resolution of chiral drugs intermediates}, journal = {Process Biochemistry}, volume = {43}, number = {4}, year = {2008}, month = {APR}, pages = {321-330}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

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

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

}, keywords = {BiNbO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {1044-5803}, doi = {10.1016/j.matchar.2007.08.026}, author = {Radha, R. and Muthurajan, H. and Rao, N. Koteswara and Pradhan, Sivaram and Gupta, U. N. and Jha, Ratnesh Kumar and Mirji, S. A. and Ravi, V.} } @article { ISI:000253106100026, title = {Low temperature synthesis of SrNb2O6 and SrTa2O6 using hydroxide precursor}, journal = {Materials Letters}, volume = {62}, number = {6-7}, year = {2008}, month = {MAR}, pages = {892-894}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SrNb2O6 (SN) or SrTA(2)O(6) (ST) compounds were prepared at low temperatures for the first time from hydroxide precursors. A simple procedure of mixing commercially purchased strontium hydroxide and niobium (or tantalum) hydroxide thoroughly together and heating at a low temperature (\<400 degrees C) produced SrNb2O6 (SN) or SrTa2O6 (ST) powders. This is the lowest temperature so far reported for the formation of these phases. These materials are potential candidates for ferroelectric and electro-optic applications. The reaction sequence and evolution of the phase formation were investigated by X-ray diffraction (XRD) studies. The average particle size and morphology of these powders were studied by scanning electron microscopy (SEM). (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.07.006}, author = {Muthurajan, H. and Kumar, H. H. and Koteswara Rao, N. and Pradhan, Sivaram and Jha, Ratnesh Kumar and Ravi, V.} } @article { ISI:000259602400109, title = {Manufacturing of tinidazole by recovering and recycling catalyst}, journal = {Asian Journal of Chemistry}, volume = {20}, number = {4}, year = {2008}, month = {APR}, pages = {3289-3291}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

In this paper, the recycle process of tungstic acid by recovering it from waste during the manufacture of tinidazole is described. The recovered tungstic acid gives desired quality and quantity of tinidazole.

}, keywords = {Recovery, tinidazole, tungstic acid}, issn = {0970-7077}, author = {Dongare, Mohan K. and Chandorkar, J. G. and Rode, C. V.} } @article { ISI:000256920000046, title = {MCM-41-supported organometallic-derived nanopalladium as a selective hydrogenation catalyst}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {25}, year = {2008}, month = {JUN}, pages = {9428-9433}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1932-7447}, doi = {10.1021/jp8007656}, author = {Maity, Niladri and Rajamohanan, Pattuparambil R. and Ganapathy, Subramanian and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000251870400005, title = {Microwave assisted low temperature rapid synthesis of manganite system using La0.67Ce0.03Sr0.3MnO3 mini-cavity furnace}, journal = {Materials Letters}, volume = {62}, number = {2}, year = {2008}, month = {JAN}, pages = {191-193}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Amorphous La0.7Sr0.3MnO3 (LSMO) and La0.7Ca0.3MnO3 (LCMO) precursor powders synthesized by the citrate gel method at 673 K, have been found to crystallize by microwave irradiation in just 60 s using La0.67Ce0.03Sr0.3MnO3 (Ce-LSMO) as couplant. This is the lowest temperature treatment and synthesis time so far reported in literature for the fort-nation of manganite systems. Using ceramic route, the same amorphous samples crystallize on heat treatment only at temperatures greater than 1000 K. The microwave heating through this method is novel and has tremendous potential for accelerating the evolution of the product phase in very shorter durations, with just low temperature processing of the precursors, which cannot be realized in normal process. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Citrate gel method, LSMO, Manganites, Microwave, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.002}, author = {Kale, Sangeeta N. and Rajagopal, Rajashree and Mona, J. and Londhe, D. P. and Joshi, Rakesh S. and Jagadale, Tushar C. and Satyanarayana, C. and Ravi, V.} } @article { ISI:000254672800002, title = {Modeling of a fluidized bed propylene polymerization reactor operated in condensed mode}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {4}, year = {2008}, month = {MAY}, pages = {2067-2076}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The gas-phase polymerization of propylene is one of the most widely accepted and commercially used processes for the manufacture of polypropylene (PP). Because of the highly exothermic nature of polymerization reactions, temperature runaway and subsequent polymer melting and agglomeration may occur, and the reactor has to be operated in a small operating window for safety. The addition of liquid monomer for heat removal (condensed mode) broadens the operating window and can substantially increase (by 50-100\%) the capacity of given reactor hardware. This article describes the extension of a comprehensive mathematical model for the simulation of fluidized bed PP reactors to include the condensed mode of operations. The model is used to determine the influence of the operating parameters on the polymer properties and particle size distribution. The model is also used to determine the effects of two active sites and the reaction kinetics on macroscopic variables. The developed framework is useful for simulating multimonomer, multisite Ziegler-Natta-type olefin fluidized bed polymerization reactors operated under condensed mode. (C) 2008 Wiley Periodicals, Inc. J Appl Polym Sci 108: 2067-2076, 2008.

}, keywords = {Modeling, Polyolefins, Ziegler-Natta polymerization}, issn = {0021-8995}, doi = {10.1002/app.27748}, author = {Utikar, Ranjeet P. and Harshe, Yogesh M. and Mehra, Anurag and Ranade, Vivek V.} } @article { ISI:000256601200022, title = {Molecular genetic mapping of quantitative trait loci associated with loaf volume in hexaploid wheat (Triticum aestivum)}, journal = {Journal of Cereal Science}, volume = {47}, number = {3}, year = {2008}, month = {MAY}, pages = {587-598}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

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

}, keywords = {breadmaking, loaf volume, QTL, SSR, wheat quality}, issn = {0733-5210}, doi = {10.1016/j.jcs.2007.07.003}, author = {Elangovan, M. and Rai, R. and Dholakia, Bhushan B. and Lagu, Meena D. and Tiwari, R. and Gupta, R. K. and Rao, V. S. and Roeder, M. S. and Gupta, V. S.} } @article { ISI:000259104700034, title = {Multi-component carbon-carbon bond forming Mannich reaction catalyzed by yttria-zirconia based Lewis acid}, journal = {Catalysis Communications}, volume = {9}, number = {14}, year = {2008}, month = {AUG}, pages = {2445-2448}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A direct three component Mannich-type reaction of aldehyde, amine, and ketone (without silyl enolates) were efficiently catalyzed by yttria-zirconia based strong Lewis acid in aqueous acetonitrile. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {beta-amino carbonyls, Mannich reaction, multi-component reaction, yttria-zirconia based Lewis acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.06.011}, author = {Ramalingam, S. and Kumar, Pradeep} } @article {42584, title = {Nanowires of metal-organic complex by photocrystallization: a system to achieve addressable electrically bistable devices and memory elements}, journal = {Langmuir}, volume = {24}, year = {2008}, month = {MAY}, pages = {5937{\textendash}5941}, abstract = {

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

}, doi = {10.1021/la703871g}, author = {Rath, Arup Kumar and Dhara, Koushik and Banerjee, Pradyot and Pal, Amlan J.} } @article { ISI:000261559400012, title = {Natural gum reduced/stabilized gold nanoparticles for drug delivery formulations}, journal = {Chemistry-A European Journal}, volume = {14}, number = {33}, year = {2008}, month = {OCT}, pages = {10244-10250}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

{\textquoteleft}{\textquoteleft}Gellan Gum{\textquoteright}{\textquoteright}, widely used in food and confectionary industry as a thickening and gelling agent, has been employed as a reducing and stabilizing agent for the synthesis of gold nanoparticles. These nanoparticles display greater stability to electrolyte addition and pH changes relative to the traditional citrate and borohydride reduced nanoparticles. Subsequently these have been used to load anthracycline ring antibiotic doxorubicin hydrochloride. The drug loaded on these nanoparticles showed enhanced cytotoxic effects on human glioma cell lines LN-18 and LN-229.

}, keywords = {Apoptosis, Cytotoxicity, drug delivery, Gold, Nanostructures, natural gums}, issn = {0947-6539}, doi = {10.1002/chem.200801093}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Shiras, Anjali and Pokharkar, Varsha and Bhagavatula L. V. Prasad} } @article {43210, title = {New route to eremophilanes: synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione}, journal = {Tetrahedron Letters}, volume = {49}, year = {2008}, month = {OCT}, pages = {6084-6086}, abstract = {A new and efficient route to the family of eremophilanes is reported. Key steps are the highly stereocontrolled Diels-Alder reaction and aldol condensation to furnish a cis-decalin system with the desired stereochemistry present in the eremophilane family of natural products. This approach is general and was utilized for the synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione. (C) 2008 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2008.08.006}, author = {Srinivas, P. and Reddy, D. Srinivasa and Kumar, K. Shiva and Dubey, P. K. and Iqbal, Javed and Das, Parthasarathi} } @article { ISI:000253699900005, title = {Nonaqueous synthesis and characterization of capped alpha-Fe2O3 nanoparticles from iron(III) hydroxy-oleate precursor}, journal = {Polyhedron}, volume = {27}, number = {3}, year = {2008}, month = {FEB}, pages = {933-938}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

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

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

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

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

}, keywords = {chemical preparation, niobates, Perovskites, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.12.014}, author = {Muthurajan, H. and Kumar, H. H. and Samuel, V. and Gupta, U. N. and Ravi, V.} } @article { ISI:000253478500012, title = {Novel synthesis of SrBi2Nb2O9 powders from hydroxide precursors}, journal = {International Journal of Applied Ceramic Technology}, volume = {5}, number = {1}, year = {2008}, month = {JAN}, pages = {101-104}, publisher = {BLACKWELL PUBLISHING}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

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

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

Firstly, fresh tantalum hydroxide was precipitated from TaF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing lithium and tantalum hydroxides together and heating at a low temperature (450 degrees C) produced pure ultrafine single phase LiTaO3 (LT). This is the lowest temperature so far reported for the formation of LT in the literature. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by transmission electron microscopy (TEM). (c) 2006 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {chemical synthesis X-ray diffraction, Electron microscopy, electronic materials, LiTaO3}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.11.003}, author = {Muthurajan, H. and Kumar, H. H. and Natarajan, N. and Ravi, V.} } @article { ISI:000260809600008, title = {pH Induced structural alterations in an aspartic protease from Vigna radiata indicating an alkali induced molten globule state}, journal = {International Journal of Biological Macromolecules}, volume = {43}, number = {4}, year = {2008}, month = {NOV}, pages = {373-376}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Alkali induced molten globule, Plant aspartic protease, Structural transitions}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.07.017}, author = {Kulkarni, Aarohi and Gaikwad, Sushama M. and Rao, Mala} } @article { ISI: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:000261995800008, title = {Potential plasmid-curing agent, 8-epidiosbulbin E acetate, from dioscorea bulbifera L. against multidrug-resistant bacteria}, journal = {International Journal of Antimicrobial Agents}, volume = {32}, number = {5}, year = {2008}, month = {NOV}, pages = {405-410}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bioassay-guided fractionation of an aqueous methanolic extract of Dioscorea bulbifera L. bulbs was performed using organic solvents. A novel plasmid-curing compound was identified as 8-epidiosbulbin E acetate (EEA) (norditerpene) on the basis of modern spectroscopic analysis and X-ray crystallography. EEA exhibited broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria, including vancomycin-resistant enterococci. EEA cured antibiotic resistance plasmids (R-plasmids) from clinical isolates of Enterococcus faecalis, Escherichia coli, Shigella sonnei and Pseudomonas aeruginosa with 12-48\% curing efficiency. The reference plasmids of Bacillus subtilis (pUB110), E. coli (RP4), P. aeruginosa (RIP64) and Salmonella typhi (R136) were cured with efficiency ranging from 16\% to 64\%. EEA-mediated R-plasmid curing decreased the minimal inhibitory concentration of antibiotics against MDR bacteria, thus making antibiotic treatment more effective. The antibiotic resistance pattern revealed that the compound was effective in the reversal of bacterial resistance to various antibiotics. In addition, the compound did not show any cytotoxicity against a broad range of human cancer cell lines, namely MCF-7 (breast cancer), SiHa (cervical cancer) and A431 (epidermal carcinoma), and hence has the potential to be used as a lead compound for drug discovery programmes. (C) 2008 Elsevier B. V. and the International Society of Chemotherapy. All rights reserved.

}, keywords = {8-Epidiosbulbin E acetate, Antibiotic resistance, Dioscorea bulbifera, Plasmid curing}, issn = {0924-8579}, doi = {10.1016/j.ijantimicag.2008.05.013}, author = {Shriram, Varsha and Jahagirdar, Sheetal S. and Latha, C. and Kumar, Vinay and Puranik, Vedavati G. and Rojatkar, Supada and Dhakephalkar, Prashant K. and Shitole, M. G.} } @article { ISI:000259886100006, title = {Practical syntheses of 4-fluoroprolines}, journal = {Journal of Fluorine Chemistry}, volume = {129}, number = {9}, year = {2008}, month = {SEP}, pages = {781-784}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

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

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

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.01.116}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000255612400002, title = {Preparation of ferroelectric CaBi(4)Ti(4)O(15) powders from novel hydroxide precursors}, journal = {Materials Letters}, volume = {62}, number = {12-13}, year = {2008}, month = {APR}, pages = {1751-1753}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {CaBi(4)Ti(4)O(15), Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.09.080}, author = {Deshmukh, Rupali G. and Vaishampayan, Mukta V. and Darshane, Sonali L. and Mulla, Imtiaz S. and Gaikwad, A. B. and Rao, N. Kotaserwara and Ravi, V.} } @article { ISI:000255455300004, title = {Reaction kinetics of liquid phase air oxidation of p-cresol to p-hydroxybenzaldehyde}, journal = {Applied Catalysis A-General}, volume = {339}, number = {1}, year = {2008}, month = {APR}, pages = {28-35}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Co3O4, kinetics, p-cresol oxidation, XPS, XRD}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.01.006}, author = {Kshirsagar, V. S. and Nadgeri, J. M. and Tayade, P. R. and Rode, C. V.} } @article { ISI:000259602400108, title = {Recovery of ammonical salts from mother liquid of 2-methyl-5-nitroimidazole}, journal = {Asian Journal of Chemistry}, volume = {20}, number = {4}, year = {2008}, month = {APR}, pages = {3287-3288}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

An attempt have been made to recover the ammonical salt (ammonium sulphate and ammonium nitrate) from the mother liquid of 2-methyl-5-nitroimidazole successfully.

}, keywords = {2-methyl-5-nitroimidazole, ammonium nitrate, ammonium sulphate, Recovery}, issn = {0970-7077}, author = {Dongare, Mohan K. and Rode, C. V. and Chandorkar, J. G.} } @article {42583, title = {Resistive switching in rose bengal and other xanthene molecules is a molecular phenomenon}, journal = {Organic Electronics}, volume = {9}, year = {2008}, month = {FEB}, pages = {495{\textendash}500}, abstract = {

There has been a debate on the mechanism of resistive switching in Rose Bengal and other Xanthene class molecules. While some authors proposed that the switching was due to an oxide layer at the Rose Bengal/Aluminum interface, some inferred the switching as an extrinsic effect like filament formation. We show results from Rose Bengal and other Xanthene class molecules on doped Si. Conductance switching in such monolayers induced by Pt/Ir tip of a scanning tunneling microscope (STM) in a non-contact mode shows that resistive switching in these molecules, initially reported by us in 2003 (in thin films), is indeed a molecular phenomenon.

}, doi = {10.1016/j.orgel.2008.02.013}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000255774700006, title = {Rigid bicyclo[3.3.0]octane (octahydropentalene): a heavily constrained novel aliphatic template for molecular self-assembly}, journal = {Tetrahedron Letters}, volume = {49}, number = {19}, year = {2008}, month = {MAY}, pages = {3056-3059}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, issn = {0024-9297}, doi = {10.1021/ma801742p}, author = {Gowd, E. Bhoje and Tashiro, Kohji and Ramesh, C.} } @article { ISI: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:000252563300006, title = {Selective oxidation of ethane over Mo-V-Al-O oxide catalysts: insight to the factors affecting the selectivity of ethylene and acetic acid and structure-activity correlation studies}, journal = {Catalysis Letters}, volume = {121}, number = {1-2}, year = {2008}, month = {FEB}, pages = {39-51}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Acetic acid, ethane, Ethylene, mixed metal oxide, Selective oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-007-9289-0}, author = {Sankaranarayanan, T. M. and Ingle, Rohit H. and Gaikwad, T. B. and Lokhande, S. K. and Raja, T. and Devi, R. N. and Ramaswamy, V. and Manikandan, Palanichamy} } @article { ISI:000263320900032, title = {Sequence-specific unusual (1 -> 2)-type helical turns in alpha/beta-hybrid peptides}, journal = {Journal of the American Chemical Society}, volume = {130}, number = {52}, year = {2008}, month = {DEC}, pages = {17743-17754}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {hemolymph, Natural product, Perna viridis, protease inhibitor}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.06.010}, author = {Khan, M. S. and Goswami, U. and Rojatkar, S. R. and Khan, Mohammad Islam} } @article { ISI: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:000253339800027, title = {Sn-119 magic angle spinning NMR of nanocrystalline SnO2}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {1}, year = {2008}, month = {JAN}, pages = {321-328}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

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

}, keywords = {Hydrolysis, IGCT, MAS NMR, nanocrystalline SnO2}, issn = {1533-4880}, doi = {10.1166/jnn.2008.015}, author = {Sabarinathan, V. and Chandran, C. Vinod and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000256839100021, title = {Stereoselective synthesis of beta-C-Allyl- and beta-C-propargyl-D-arabinofuranosides}, journal = {Synthesis-Stuttgart}, number = {11}, year = {2008}, month = {JUN}, pages = {1783-1787}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {Allylation, Barbier reaction, C-glycoside, D-mannose, propargylation, Ring transposition}, issn = {0039-7881}, doi = {10.1055/s-2008-1067016}, author = {Ramana, C. V. and Narute, Sachin B. and Gonnade, Rajesh G. and Patil, Rahul S.} } @article { ISI:000261163000013, title = {Structural elucidation of propargylated products of 3-substituted-1,2,4-triazole-5-thiols by NMR techniques}, journal = {Magnetic Resonance in Chemistry}, volume = {46}, number = {12}, year = {2008}, month = {DEC}, pages = {1168-1174}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

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

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

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

}, keywords = {Penicillin G acylase, PGA immobilized SBA-15, pH and temperatures stability, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.03.030}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda} } @article { ISI:000262306600016, title = {Studies on the effect of glass transition on the crystalline transition in syndiotactic polystyrene - solvent complexes}, journal = {Macromolecular Symposia}, volume = {273}, year = {2008}, note = {7th Conference on Polymer Solvent Complexes and Intercalates, Marrakech, MOROCCO, MAY 21-23, 2008}, month = {NOV}, pages = {109-114}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Crystallization, glass transition, infrared spectroscopy, Syndiotactic polystyrene}, issn = {1022-1360}, doi = {10.1002/masy.200851315}, author = {Naidu, Sudhakar and Ramesh, N. C.} } @article { ISI:000257442900006, title = {Synthesis and FTIR spectroscopic investigation of the UV curing kinetics of telechelic urethane methacrylate crosslinkers based on the renewable resource-cardanol}, journal = {Journal of Applied Polymer Science}, volume = {109}, number = {5}, year = {2008}, month = {SEP}, pages = {2781-2790}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Cardanol, hydrogen bonding, infrared spectroscopy, renewable resource, UV curing}, issn = {0021-8995}, doi = {10.1002/app.28342}, author = {Rekha, N. and Asha, S. K.} } @article { ISI:000261329400004, title = {Synthesis, characterization and catalytic activity of Sn-SBA-15 mesoporous molecular sieves}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {4}, year = {2008}, month = {DEC}, pages = {283-309}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {mesoporous materials, Properties of Sn-SBA-15, Sn-containing SBA-15, Sn-SBA-15 catalysts, Synthesis of Sn-SBA-15}, issn = {1571-1013}, doi = {10.1007/s10563-008-9060-6}, author = {Ramaswamy, Veda and Shah, Pallavi and Lazar, Karoly and Ramaswamy, A. V.} } @article { ISI:000259412500023, title = {Synthesis of alpha-amino phosphonates by three component condensation of carbonyl compound, amine, and dialkyl phosphite using Yttria-zirconia based Lewis acid catalyst}, journal = {Catalysis Letters}, volume = {125}, number = {3-4}, year = {2008}, month = {OCT}, pages = {315-319}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {alpha-amino phosphonates, three component coupling, Yttria-zirconia based Lewis acid catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-008-9562-x}, author = {Ramalingam, S. and Kumar, Pradeep} } @article { ISI:000252408000048, title = {Synthesis of LSMO at low temperature by novel hydroxide precursor technique}, journal = {Materials Letters}, volume = {62}, number = {3}, year = {2008}, month = {FEB}, pages = {527-529}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Ceramics, Electron microscopy, La0.65Sr0.35MnO3, Oxides, Precipitation, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.077}, author = {Gupta, U. N. and Muthurajan, H. and Kumar, H. H. and Rao, N. Koteswara and Gokhale, Suresh P. and Ravi, V.} } @article { ISI:000256114400005, title = {Synthesis of oleic acid capped copper nano-particles via reduction of copper salt by SFS}, journal = {Materials Chemistry and Physics}, volume = {110}, number = {1}, year = {2008}, month = {JUL}, pages = {21-25}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

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

}, keywords = {Chemical synthesis, electronic materials, metals, Nanostructure}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.01.013}, author = {Khanna, P. K. and Kale, Trupti S. and Shaikh, Mushtaq and Rao, N. Koteswar and Satyanarayana, C. V. V.} } @article { ISI:000255342400008, title = {Synthesis of the C14-C29 segment of amphidinolide U utilizing a tandem dihydroxylation-S(N)2 cyclization protocol}, journal = {Synlett}, number = {6}, year = {2008}, month = {APR}, pages = {837-840}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

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

}, keywords = {amphidinolide U, Cytotoxic, Nozaki-Hiyama-Kishi coupling, tandem dihydroxylation-S(N)2 cyclization, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2008-1042931}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur} } @article { ISI:000256597700001, title = {Tandem non-polymerizing strategy to higher order acrylamide oligomers; potential intermediates for conformational correlations of poly-N-acrylamides}, journal = {New Journal of Chemistry}, volume = {32}, number = {6}, year = {2008}, month = {FEB}, pages = {909-912}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This letter describes an efficient tandem non-polymerization strategy to deliver higher order N-acrylamide oligomers. These oligomers, accessible in an one-pot procedure, are potential intermediates for the correlation of stereochemistry (tacticity) with conformation and hydrogen bonding propensities in poly (oligo) N-acrylamides.

}, issn = {1144-0546}, doi = {10.1039/b802471e}, author = {Kendhale, Amol M. and Rajamohanan, Pattuparampil R. and Sanjayan, Gangadhar J.} } @article { ISI:000258432100026, title = {Thermal stability of mesoporous SBA-15 and Sn-SBA-15 molecular sieves: an in situ HTXRD study}, journal = {Microporous and Mesoporous Materials}, volume = {114}, number = {1-3}, year = {2008}, month = {SEP}, pages = {270-280}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Highly ordered SBA-15 and Sn-SBA-15 mesoporous molecular sieves with Si/Sn = 80, 60, 40 and 10 have been prepared through direct synthesis route under milder acidic conditions, which were used for the in situ high temperature X-ray diffraction (HTXRD) studies in the temperature range 298-1573 K for the first time in the literature. SBA-15 is found to be thermally stable up to 1473 K and appearance of alpha-cristobalite was observed at 1573 K also supported by the thermogravimetric (TG) data. A strong negative thermal expansion was observed on heating from 298 to 1573 K (alpha(a) = -4.3 x 10(-6) K-1). Sit containing samples (Si/Sn = 80 and 60) showed a positive thermal expansion (6.75 x 10(-6) K-1 and 9.04 x 10(-6) K-1, respectively). On the other hand, the samples with Si/Sn = 40 and 10 showed a strong negative thermal expansion (-4.12 x 10(-6) K-1 and -7.56 x 10(-6) K-1) similar to SBA-15. The linear thermal expansion coefficient varied in the order: Si/Sn = 60 \> 80 \> 40 \> 0 \> 10. Sn4+ ions exhibit both tetrahedral and octahedral coordination depending upon the location of these ions either on the walls of the silica (Si/Sn = 80 and 60) or in the corona region of the structure (Si/Sn = 40 and 10), respectively. The thermal decomposition of the samples (TG data) is correlated to the thermal expansion behavior (HTXRD data). The decomposition behavior of template ions located within the pores is strongly influenced by the presence of Sn in the framework and a {\textquoteleft}soft{\textquoteright} interaction probably exists between the template ions and the Sn sites. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {HTXRD studies, phase transitions, Sn-SBA-15, TG data, Thermal expansion}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.01.013}, author = {Shah, Pallavi and Ramaswamy, Veda} } @article { ISI:000255698500020, title = {Total synthesis and determination of relative and absolute configuration of multiplolide A}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {10}, year = {2008}, month = {MAY}, pages = {3817-3822}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

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

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

}, keywords = {curvularin, Cytotoxic, Pinnick oxidation, Ring-closing metathesis, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2008-1078504}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur and Pal, Rita and Gurjar, Mukund K.} } @article { ISI:000260483400085, title = {Varistor property of SnO2 center dot CoO center dot Ta2O5 ceramic modified by barium and strontium}, journal = {Journal of Alloys and Compounds}, volume = {466}, number = {1-2}, year = {2008}, month = {OCT}, pages = {483-487}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The influence of an alkali earth (Ba/Sr) element in small quantities (\< 1 at.\%) on non-linear electrical properties of 98.5\% SnO2 + 1\% CoO + 0.5\% Ta2O5 (all in at.\%) varistor system has been investigated. The non-linear coefficient increases from 33 to 52 whereas breakdown field strength varies 5025-6050 V cm(-1) for the barium-doped samples. In case of strontium-doped specimens moderate increase in non-linear coefficient but significant increase in breakdown field is observed. It is proposed that due to ionic size misfit, Ba and Sr segregates to grain boundaries thereby modifying their barrier properties. The contribution from grain boundary phase to the electrical property is confirmed by the impedance analysis. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Oxide materials, scanning electron microscopy, Sintering}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2007.11.062}, author = {Dhage, S. R. and Ravi, V. and Yang, O. B.} } @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:000260941700137, title = {Zinc oxide nanoparticles as novel alpha-amylase inhibitors}, journal = {Journal of Applied Physics}, volume = {104}, number = {9}, year = {2008}, month = {NOV}, pages = {094907}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

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

}, issn = {0021-8979}, doi = {10.1063/1.3009317}, author = {Dhobale, Sandip and Thite, Trupti and Laware, S. L. and Rode, C. V. and Koppikar, Soumya J. and Ghanekar, Ruchika-Kaul and Kale, Sangeeta N.} } @article { ISI:000269523400273, title = {2-(2,6-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {65}, number = {9}, year = {2009}, month = {SEP}, pages = {O2262-U2986}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

In the title compound, C18H16O6, the dimethoxyphenyl ring is rotated by 61.8 (1)degrees from the plane of the benzopyran system. The molecule is stabilized by an intramolecular O-H center dot center dot center dot O hydrogen bond.

}, issn = {1600-5368}, doi = {10.1107/S1600536809032383}, author = {Kumar, R. Ravi and Krishnaiah, M. and Kumar, N. Jagadesh and Reddy, D. Gunasekhar and Puranik, Vedavati G.} } @article { ISI:000271103500014, title = {Activity and selectivity behavior of 1,2-epoxyethylbenzne hydrogenation in carbon dioxide solvent}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9457-9460}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic hydrogenation of 1,2-epoxyethylbenzene to 2-phenylethanol over charcoal-supported noble metal in carbon dioxide was studied, and the results were compared with those in heptane and methanol. Charcoal-supported palladium and platinum (Pd/C and Pt/C) catalysts were active metal species for the hydrogenation in solvents. The order of activities over palladium and platinum was heptane \< carbon dioxide \< methanol; however, the formation of dehydroxylated byproduct was suppressed in carbon dioxide solvent. Negative carbon dioxide pressure effect was observed over the Pd/C and Pt/C catalysts in the carbon dioxide solvent.

}, issn = {0888-5885}, doi = {10.1021/ie8018559}, author = {Rode, Chandrashekhar V. and Hiyoshi, Norihito and Mine, Eiichi and Shirai, Masayuki} } @article { ISI:000263529500010, title = {Adsorption and desorption kinetics of anionic dyes on doped polyaniline}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {8}, year = {2009}, month = {FEB}, pages = {2293-2299}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, we report an approach for the adsorption and desorption of anionic (sulfonated) dyes from aqueous solution by doped polyaniline. In this study, we have synthesized PANI with two dopants, namely, p-toluenesulfonic acid (PTSA) and camphorsulfonic acid (CSA), and used these to adsorb various dyes. It was found that the doped PANI selectively adsorbs anionic dyes and does not adsorb cationic dyes. The adsorption of anionic dyes causes the variation in electrical conductivity of PANI, indicating its potential as a conductometric sensor for these dyes at very low concentration. The adsorbed dyes were desorbed from the polymer by using a basic aqueous solution. The adsorption and desorption kinetics of the dye in the presence of doped PANI were also determined.

}, issn = {1520-6106}, doi = {10.1021/jp809796e}, author = {Mahanta, Debajyoti and Madras, Giridhar and Radhakrishnan, S. and Patil, Satish} } @article { ISI:000267557500025, title = {Antiplasmid activity of 1 {\textquoteleft}-acetoxychavicol acetate from alpinia galanga against multi-drug resistant bacteria}, journal = {Journal of Ethnopharmacology}, volume = {123}, number = {3}, year = {2009}, month = {JUN}, pages = {522-525}, publisher = {ELSEVIER IRELAND LTD}, address = {ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND}, abstract = {

Ethnopharmacological relevance: Alpinia galanga (L.) Swartz is traditionally used in the treatment of various ailments across India, China, and Southeast Asian countries. In India it is a reputed drug in indigenous system of medicine and largely used as antibacterial and antiseptic. In southern India the rhizomes has been used as a domestic remedy against bacterial infections. Aim of the study: To identify a potential antiplasmid compound from Alpinia galanga against multi-drug resistant bacteria. Materials and methods: The crude rhizome extract of Alpinia galanga was prepared in acetone. Antibacterial activity was checked by MIC and antiplasmid activity was checked by SIC. The principal compound responsible for the antiplasmid activity, in the crude extract, was identified by bioassay guided fractionation using hexane-acetone. Antibiotic resistance profile of plasmid harboring strains and plasmid cured strains was determined by disc diffusion method. Results: The crude acetone extract of the rhizomes of Alpinia galanga exhibited antiplasmid activity against Salmonella typhi, Escherichia coli and vancomycin resistant Enterococcus faecalis with an efficiency of 92\%, 82\% and 8\% respectively at 400 mu g/ml SIC. The principal compound responsible for the activity was identified as 1{\textquoteright}-acetoxychavicol acetate. 1{\textquoteright}-Acetoxychavicol acetate demonstrated the ability to cure plasmid encoded antibiotic resistance in various multi-drug resistant bacterial strains of clinical isolates such as Enterococcus faecalis, Salmonella typhi, Pseudomonas aeruginosa, Escherichia coli and Bacillus cereus with curing efficiency of 66\%, 75\%, 70\%, 32\% and 6\% respectively at SIC of 400-800 mu g/ml. Conclusion: 1{\textquoteright}-Acetoxychavicol acetate mediated R-plasmid curing significantly reduced the minimal inhibitory concentration of antibiotics required to inhibit growth of bacteria, thus making the antibiotic treatment more effective. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

}, keywords = {1 {\textquoteleft}-Acetoxychavicol acetate, Alpinia galanga, Antibiotic resistance, Antiplasmid}, issn = {0378-8741}, doi = {10.1016/j.jep.2009.03.028}, author = {Latha, C. and Shriram, Varsha D. and Jahagirdar, Sheetal S. and Dhakephalkar, Prashant K. and Rojatkar, Supada R.} } @article { ISI:000261909800003, title = {Arthrobacter sp lipase immobilization for preparation of enantiopure masked beta-amino alcohols}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {17}, number = {1}, year = {2009}, month = {JAN}, pages = {29-34}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Arthrobacter sp lipase, beta-Aminoalcohol, Enantioselectivity, Immobilization, soluble polymer}, issn = {0968-0896}, doi = {10.1016/j.bmc.2008.11.023}, author = {Chaubey, Asha and Parshad, Rajinder and Gupta, Pankaj and Taneja, Subhash C. and Qazi, Ghulam N. and Rajan, C. R. and Ponrathnam, S.} } @article { ISI:000265186800069, title = {Assembly of gold nanoparticles on single-walled carbon nanotubes by using click chemistry}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {5}, year = {2009}, month = {MAY}, pages = {3261-3263}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Azide moiety-functionalized gold nanoparticles were conjugated with acetylene functionalized single-walled carbon nanotubes by employing copper-catalyzed Huisgen{\textquoteright}s [3+2] dipolar cycloaddition {\textquoteleft}click chemistry{\textquoteright} reaction. Evidences of conjunction were observed by TEM, EDX and Raman images.

}, keywords = {Carbon nanotubes, Click chemistry, Functionalization, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2009.035}, author = {Rana, Sravendra and Kumar, Indresh and Yoo, Hye Jin and Cho, Jae Whan} } @article { ISI:000263299000005, title = {Asymmetric synthesis of tetrahydroquinolin-3-ols via CoCl2-catalyzed reductive cyclization of nitro cyclic sulfites with NaBH4}, journal = {Organic Letters}, volume = {11}, number = {4}, year = {2009}, month = {FEB}, pages = {803-806}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new method for the construction of chiral 3-substituted tetrahydroquinoline derivatives based on asymmetric dihydroxylation and CoCl2-catalyzed reductive, cyclization of nitro cyclic sulfites with NaBH4 has been described with high optical purities. This method has been successfully applied in the formal synthesis of PNU 95666E and anachelin H chromophore.

}, issn = {1523-7060}, doi = {10.1021/ol8028109}, author = {Jagdale, Arun R. and Reddy, R. Santhosh and Sudalai, Arumugam} } @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:000269197400037, title = {CFD Simulation of bubble columns: modeling of nonuniform gas distribution at sparger}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {8186-8192}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Most laboratory bubble columns are equipped with sieve plate spargers. The sieve plate spargers are known to lead to nonuniform gas distribution. It is important to account for such nonuniform gas distribution at the sparger in the computational model before experimental data collected from such columns are used to fit the model parameters. In this article, such an attempt is made. A detailed, 3D CFD model was developed to simulate unsteady gas-liquid flows in bubble Columns with sieve plate spargers. The sensitivity of the nonuniformity of gas distribution at the sparger with sparger resistance was examined. The model predictions were compared with the experimental data. The developed model and presented results will be useful for Simulating industrial bubble columns.

}, issn = {0888-5885}, doi = {10.1021/ie8018593}, author = {Rampure, M. R. and Mahajani, S. M. and Ranade, V. V.} } @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:000271982400003, title = {Characterization of clay intercalated cobalt-salen catalysts for the oxidation of p-cresol}, journal = {Applied Catalysis A-General}, volume = {370}, number = {1-2}, year = {2009}, month = {NOV}, pages = {16-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Cobalt-oxygen bond, Cobalt-salen, Extended X-ray absorption fine structure, Intercalation, Lattice oxygen, Montmorillonite, X-ray absorption near edge structure}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.09.003}, author = {Kshirsagar, V. S. and Garade, Ajit C. and Mane, R. B. and Patil, K. R. and Yamaguchi, A. and Shirai, M. and Rode, C. V.} } @article { ISI:000266648400001, title = {Chlorophyll-based photocatalysts and their evaluations for methyl orange photoreduction}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {204}, number = {2-3}, year = {2009}, month = {MAY}, pages = {83-89}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Immobilization of chlorophyll on different functionalized mesoporous materials has been attempted. The replacement of butanediol with monoethanol amine has resulted in increase in chlorophyll loading by a factor of two. The maximum immobilization of chlorophyll was on MCM-41 functionalized with monoethanolamine MCM-41/MEA/Chl) as compared to other mesoporous materials. This material has been characterized using XRD, UV-vis diffuse reflectance spectroscopy, scanning electron microscopy (SEM-EDX) and fluorescence spectroscopy. The photocatalytic reduction of methyl orange (MO)was studied using MCM-41/MEA/Chl as photocatalyst under the visible light. The photocatalytic reduction of MO was 0.396 mg/g of MCM-41/MEA/Chl photocatalyst as compared to 0.508 mg/g of TiO(2) for that of Degussa P-25 photocatalyst. The effect of various operating parameters like catalyst loading, initial concentration and intensity of light has also been studied. Photocatalytic property of chlorophyll-based photocatalytic material indicates that chlorophyll acts as a reaction center, which absorbs visible light and generates electron, which is transferred to different electron acceptors reducing MO into derivative of hydrazine. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Chlorophyll-based photocatalyst, Mesoporous material, Methyl orange, Photoreduction}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2009.01.016}, author = {Joshi, Meenal M. and Kamble, Sanjay R. and Labhsetwar, Nitin K. and Parwate, D. V. and Rayalu, Sadhana S.} } @article { ISI:000261768700023, title = {Click synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br center dot center dot center dot NO2 synthon}, journal = {Crystengcomm}, volume = {11}, number = {1}, year = {2009}, month = {OCT}, pages = {143-150}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1466-8033}, doi = {10.1039/b809985e}, author = {Ramana, C. V. and Chatterjee, Soumitra and Durugkar, Kulbhushan A. and Gonnade, Rajesh G.} } @article { ISI:000267632500006, title = {CO sensor based on polypyrrole functionalized with iron porphyrin}, journal = {Synthetic Metals}, volume = {159}, number = {11}, year = {2009}, month = {JUN}, pages = {1019-1023}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Polypyrrole (PPy) was chemically functionalized with 5,10,15,20-tetraphenyl-21H,23H-porphyrin iron(III) chloride (FeTPPCl) with special interest on noxious carbon monoxide (CO) gas in ppm level. Controlled functionalization of PPy was achieved with incorporation of various concentrations of porphyrin. The resulted semiconducting material was well characterized by different techniques such as UV-vis spectroscopy, FTIR, GFAAS, XRD, and EDAX. The functionalized polypyrrole material on interdigitated electrode was experienced an immediate increase in resistance when exposed to carbon monoxide gas at very low concentration. The CO gas interacted very fast with the FeTPPCl functionalized PPy at room temperature (RT) and then slowly saturated. The response of these materials was not unidirectional, but reverses to the original resistance level when CO was removed from the test chamber. The highest response factor (Delta R/R(0) x 100) and lowest response time (t(50)) obtained are 12 and 169s, respectively. An optimum level of doping (1 mol\% of FeTPPCl) was established for the highest sensitivity and the detection level is as low as 100ppm. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {carbon monoxide, Chemical sensor, Fe(III) porphyrin, polypyrrole}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2009.01.018}, author = {Paul, Santhosh and Amalraj, Francis and Radhakrishnan, S.} } @article { ISI:000268231500057, title = {Combinatorial library of primaryalkylammonium dicarboxylate gelators: a supramolecular synthon approach}, journal = {Langmuir}, volume = {25}, number = {15}, year = {2009}, month = {AUG}, pages = {8742-8750}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Following the supramolecular synthon approach, a combinatorial library comprising 35 organic salts derived from 7 dicarboxylic acids (malonic, succinic-, adipic, L-tartaric-, maleic-, phthalic-, and isophthalicacid) and 5 primaryalkyl amines Me-(CH2)(n)-NH2 (n = 11 - 15) was prepared and scanned for gelation. About 66\% of the salts in the combinatorial library were found to show moderate to good gelling ability in various polar and nonpolar solvents including commercial fuels such as petrol. The majority of the salts having a rigid, unsaturated anionic backbone (maleate, phthalate, and isophthalate) did not show gelation; only the corresponding hexadecylammonium salts showed gelation. Some of the representative gels were characterized by rheology, small-angle neutron scattering (SANS), optical microscopy (OM), and scanning electron microscopy (SEM). Single-crystal structures of two gelator and two nongelator salts were also discussed in the context of supramolecular synthon and structure-property correlation.

}, issn = {0743-7463}, doi = {10.1021/la9001362}, author = {Sahoo, Pathik and Adarsh, N. N. and Chacko, George E. and Raghavan, Srinivasa R. and Puranik, Vedavati G. and Dastidar, Parthasarathi} } @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 { ISI:000265330500010, title = {Concise enantioselective synthesis of 1-[(S)-3-(dimethylamino)-3,4 dihydro-6,7-dimethoxyquinolin-1(2H)-yl]propan-1-one, (S)-903}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {3}, year = {2009}, month = {FEB}, pages = {335-339}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise enantioselective synthesis of (S)-903, an inotropic agent, is described in nine linear steps and 95\% ee based on asymmetric dihydroxylation of cinnamate ester and Co-catalyzed Multifunctional reduction of several functional groups leading to the construction of core tetrahydroquinolin-3-ol, as the key steps. (C) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.01.019}, author = {Jagdale, Arun R. and Reddy, R. Santhosh and Sudalai, Arurnugam} } @article { ISI:000271252000017, title = {Concise enantioselective synthesis of (+)-decarestrictine L via proline-catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {18}, year = {2009}, month = {SEP}, pages = {2173-2177}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short enantioselective synthesis of (+)-decarestrictine L, a cholesterol biosynthesis inhibitor metabolite, is described using a D-proline catalyzed sequential alpha-aminooxylation and a Horner-Wadsworth-Emmons olefination. (C) 2009 Elsevier Lid All rights reserved

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.08.026}, author = {Rawat, Varun and Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000271238900017, title = {Concurrent In-situ formation of Ag/Ag2S nanoparticles in polymer matrix by facile polymer-inorganic solid state reaction}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {143-152}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {

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

}, keywords = {Ag, Ag2S, Nanoparticles, Polymer inorganic solid -state reaction, Thermoplastic polymer matrix}, issn = {1662-5250}, doi = {10.4028/www.scientific.net/JNanoR.5.143}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Hawaldar, Ranjit R. and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000262810900014, title = {Conducting polyaniline-nano-TiO2 composites for smart corrosion resistant coatings}, journal = {Electrochimica Acta}, volume = {54}, number = {4}, year = {2009}, month = {JAN}, pages = {1249-1254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Coatings prepared from polyaniline-nano-TiO2 particles synthesized by in situ polymerization were found to exhibit excellent corrosion resistance much superior to polyaniline (PANI) in aggressive environments. The corrosion Studies were carried out on steel plates coated with these formulations containing 10 wt\% polyaniline prepared with different concentrations of nano-TiO2. The electrochemical impedance spectroscopy was studied at periodic intervals during exposure to hot saline (65 degrees C) conditions for prolonged durations over a period of 90 h. The open circuit potential (OCP) was found to shift with time from -0.38 V SCE to more anodic side (-0.2 V SCE) much above that of bare steel (-0.5 VSCE). The presence of nano-TiO2 was found to be vital in the prevention of corrosion and the shift of OCP to anodic side. From these data, one could envisage more than 100 times improvement in the corrosion resistance especially for polyaniline prepared with 4.18 wt\% nano-TiO2. The exceptional improvement of performance of these coatings has been associated with the increase in barrier to diffusion, prevention of charge transport by the nanosize TiO2, redox properties of polyaniline as well as very large surface area available for the liberation of dopant due to nano-size additive. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Anticorrosion, Coating, conducting polymer, Nano-composite, Titanium dioxide}, issn = {0013-4686}, doi = {10.1016/j.electacta.2008.08.069}, author = {Radhakrishnan, S. and Siju, C. R. and Mahanta, Debajyoti and Patil, Satish and Madras, Giridhar} } @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 {Kulkarni, title = {Continuous hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-Methylphenol) in a fixed bed reactor}, journal = {Journal of Chemical Engineering of Japan}, volume = {42}, number = {10}, year = {2009}, month = {OCT}, pages = {782-787}, abstract = {

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

}, author = {Garade, Ajit C. and Hengne, Amol M. and Deshpande, Tushar N. and Shaligram, Sayali V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000265699700015, title = {Control of molecular aggregation in symmetrically substituted pi-conjugated bulky poly(p-phenylenevinylene)s and their copolymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {10}, year = {2009}, month = {MAY}, pages = {2631-2646}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A new series of symmetrically substituted bulky PPV-copolymers based on poly(bis-2,5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (BEH-PPV) bearing tricyclodecane (TCD) pendants were synthesized to study the effect of chain aggregation in the pi-conjugated polymer backbone. The composition of the copolymers was varied up to 100 mol \% and the structures of the copolymer were confirmed by NMR and FTIR. The molecular weights of the copolymers were obtained as M(w) = 11,500-1,78,800 depending on the TCD-incorporation in BEH-PPV. The origin of the pi-aggregation was investigated using mixture of solvents (polar or nonpolar) or temperature as external stimuli. Absorption, photoluminescence, and time-resolved fluorescence decay techniques were employed as tools to trace molecular aggregation in solution and solid state. The TCD-substituted bulky copolymers showed almost twice the enhancement in photoluminescence compared with that of BEH-PPV Solvent-induced aggregation studies of copolymers revealed the existence of strong molecular aggregation in BEH-PPV compared with that of bulky copolymers. Variable temperature studies further evidence for the reversibility of molecular aggregation on beating/cooling cycles and showed isosbetic points with respect to free and aggregated polymer chains. Time-resolved fluorescent studies confirmed the existence of free and aggregated pi-conjugated species with a life time of 0.1 to 1.0 ns. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2631-2646, 2009

}, keywords = {conjugated polymers, fluorescence, poly(p-phenylenevinylene), solution properties, Structure-property relationship}, issn = {0887-624X}, doi = {10.1002/pola.23348}, author = {Resmi, R. and Amrutha, S. R. and Jayakannan, M.} } @article { ISI:000264437500012, title = {Copper-based catalysts for water gas shift reaction: influence of support on their catalytic activity}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {72-76}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Three copper containing catalysts supported on ceria and mixed oxides of ceria with zirconia and titania were prepared by co-precipitation method and their catalytic activity was tested for water gas shift (WGS) reaction. High surface area (\>100m(2)/g) mixed oxides were obtained following the present method of preparation. The catalysts were characterized by XRD, H(2)-temperature programmed reduction (TPR), UV-vis and XPS. Catalytic activity was evaluated for water gas shift reaction in the 200-400 degrees C temperature range, The gas hourly space velocity was varied from 5000 to 25,000h(-1) for better evaluation and comparison of their performance. The effect of CO(2) in the feed gas mixture on the WGS activity of these catalysts was also studied. Among the three catalysts studied, CuO-CeO(2)-ZrO(2) mixed oxide shows better activity, implying the influence of support. Characterization of the catalysts after WGS reaction was also carried out in order to investigate structure-property correlation. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {ceria, Ceria-titania, Ceria-zirconia, Co-precipitation, Copper, Water gas shift}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.06.026}, author = {Pradhan, S. and Reddy, A. Satyanarayana and Devi, R. N. and Chilukuri, Satyanarayana V.} } @article { ISI:000265962600005, title = {Cu(I)-promoted one-pot {\textquoteleft}SNAr-click reaction{\textquoteright} of fluoronitrobenzenes}, journal = {Tetrahedron}, volume = {65}, number = {20}, year = {2009}, month = {MAY}, pages = {3974-3979}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.03.035}, author = {Durugkar, Kulbhushan A. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000272015800038, title = {Defluoridation of drinking water using chemically modified bentonite clay}, journal = {Desalination}, volume = {249}, number = {2}, year = {2009}, month = {DEC}, pages = {687-693}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Adsorption potential of metal oxide (lanthanum, magnesium and manganese) incorporated bentonite clay was investigated for defluoridation of drinking water using batch equilibrium experiments to gain insight of adsorption behavior, kinetics and mechanisms of adsorption of fluoride ion. The effect of various physicochemical parameters such as pH, adsorbent dose, initial fluoride concentration and the presence of interfering co-ions on adsorption of fluoride has been investigated. The 10\%La-bentonite shows higher fluoride uptake capacity for defluoridation of drinking water as compared to Mg-bentonite, Mn-bentonite and bare bentonite clay. The uptake of fluoride in acidic pH was higher as compared to alkaline pH. The equilibrium adsorption data fitted reasonably well in both Langmuir and Freundlich isotherm models. It was also observed that in the presence of certain co-existing ions can have positive effect on removal of fluoride, while carbonate and bicarbonate anions show deleterious effect. The rate of adsorption was reasonably rapid and maximum fluoride uptake was attained within 30 min. The modified adsorbent material shows better fluoride removal properties for actual field water, which could be due to the positive effect of other co-ions present in the field water. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {10\%La-bentonite, Defluoridation, Kinetic modeling, Langmuir and Freundlich adsorption isotherms, Water treatment}, issn = {0011-9164}, doi = {10.1016/j.desal.2009.01.031}, author = {Kamble, Sanjay P. and Dixit, Priyadarshini and Rayalu, Sadhana S. and Labhsetwar, Nitin K.} } @article { ISI:000266821100020, title = {Design of an "allsolid-state{\textquoteright}{\textquoteright} supercapacitor based on phosphoric acid doped polybenzimidazole (PBI) electrolyte}, journal = {Journal of Applied Electrochemistry}, volume = {39}, number = {7}, year = {2009}, month = {JUL}, pages = {1097-1103}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The effectiveness of phosphoric acid doped polybenzimidazole as a polymer electrolyte membrane to fabricate an all solid-state super capacitor has been explored using hydrous RuO(2)/carbon composite electrodes (20 wt.\%) of surface area 250 m(2) g(-1) with many intrinsic advantages. The electrochemical evaluation of these super capacitors through cyclic voltammetry, charge/discharge and impedance measurements demonstrate the utility of this type of thin, compact and flexible supercapacitor capable of functioning at 150 degrees C to yield a maximum capacitance of about 290 F g(-1) along with a life of more than 1,000 cycles. A power density of 300 W kg(-1) and energy density of 10 Wh kg(-1) have been accomplished although the equivalent series resistance (ESR) of about 3.7 Omega needs to be reduced further for high rated applications.

}, keywords = {Electrochemical characterization, Electrochemical supercapacitor, Energy storage device, PBI electrolyte, RuO(2)/carbon composite}, issn = {0021-891X}, doi = {10.1007/s10800-008-9764-3}, author = {Rathod, Dhanraj and Vijay, Meenu and Islam, Md. Nazrul and Kannan, Ramaiyan and Kharul, Ulhas K. and Kurungot, Sreekumar and Pillai, Vijayamohanan} } @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:000272903900005, title = {Differential elicitation of an aspartic protease inhibitor: regulation of endogenous protease and initial events in germination in seeds of vigna radiata}, journal = {Peptides}, volume = {30}, number = {12}, year = {2009}, month = {DEC}, pages = {2118-2126}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Plant aspartic proteases are of recent origin with their physiological significance in crucial processes emerging. Reports on the significance of aspartic protease inhibitors and their endogenous proteases in seeds of plants are scanty. This paper reports the purification of an aspartic protease inhibitor from the seeds of Vigna radiata, its control of the endogenous aspartic protease and their subsequent role in the early germination events. The role of the aspartic protease inhibitor and the enzyme in initial stages of germination of V. radiata has been tracked by differential timed expression and germination assays. The expression pattern revealed maximum expression of the inhibitor in the dormant seeds while the enzyme was predominant in the germinating seeds. Their expression patterns and interactions indicate their significance in initiation of germination. The expression of other classes of proteases was monitored during germination and a model predicting the events occurring during proteolysis of the storage protein in germination is hypothesized. The inhibitor was a linear, hydrophobic, pH stable and thermostable peptide with molecular weight of 1660 Da. The purified inhibitor showed a pI of 4.36 with the sequence as AEIYN KDGNK LDLYG. The inhibitor was found to be stable in a broad range of pH from 2 to 10 with an optimum of 3.0. The half-life of VrAPI at 100 degrees C was 30 min whereas the maximum activity was observed at 37 degrees C. The initial kinetic analysis of the inhibitor against the enclogenous protease showed an IC50 value of 11 nM while the value of the inhibition rate constant K-i was 34 x 10(-9) M. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Aspartic protease, Plant proteases, Protease inhibitors, Vigna radiata}, issn = {0196-9781}, doi = {10.1016/j.peptides.2009.08.024}, author = {Kulkarni, Aarohi and Rao, Mala} } @article { ISI:000263922500027, title = {Direct method for the preparation of glycolipid-metal nanoparticle conjugates: sophorolipids as reducing and capping agents for the synthesis of water re-dispersible silver nanoparticles and their antibacterial activity}, journal = {New Journal of Chemistry}, volume = {33}, number = {3}, year = {2009}, month = {DEC}, pages = {646-652}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The production of a new class of glycolipid-metal nanoparticle conjugates, namely, sophorolipid reduced/capped silver nanoparticles is demonstrated for the first time, by unveiling the reducing and capping abilities of sophorolipid derived from oleic acid. It is also demonstrated that the sophorolipid capped Ag nanoparticles are highly potent antibacterial agents, against both Gram-positive and Gram-negative bacteria. The utilization of sophorolipid brings out several advantages, such as eliminating the necessity for exogenous reducing agent and imparting better stability to the silver nanoparticles as compared to their oleic acid capped analogues. These sophorolipid capped silver nanoparticles can be obtained as a stable powder that can be re-dispersed in water as desired.

}, issn = {1144-0546}, doi = {10.1039/b811829a}, author = {Singh, Sanjay and Patel, Pitamber and Jaiswal, Swarna and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article { ISI:000263212700021, title = {Effect of gamma-dose rate on crystallinity and morphological changes of gamma-sterilized biomedical polypropylene}, journal = {Polymer Degradation and Stability}, volume = {94}, number = {2}, year = {2009}, month = {FEB}, pages = {272-277}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present work is aimed to study the changes in crystallinity and morphology of biomedical polyolefins after gamma-sterilization. The isotactic polypropylene (iPP) films were sterilized by gamma-radiation and the changes were characterized by differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD) and atomic force microscopy (AFM) techniques. The effect of dose rate on crystallinity changes also was focused. It was found that crystallinity and morphology significantly changed with gamma-irradiation. There was an increase in crystallinity Lip to 10 kGy accompanied with decrease in viscosity and mechanical properties. The changes in crystallinity mainly depend on gamma-irradiation dose and dose rate. The rise in crystallinity was attributed to chain scission and forming new perfect lamellae. However, the reduction was accompanied by occurrence of gamma- and beta-phases and crosslinking. Possible explanations for transitions in phases are also discussed based on our results. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Crystallinity, Dose rate, Gamma radiation, mechanical properties, Morphology, polypropylene}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2008.10.027}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Singh, R. P.} } @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: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:000264472000008, title = {Epoxy powder coatings containing polyaniline for enhanced corrosion protection}, journal = {Progress in Organic Coatings}, volume = {64}, number = {4}, year = {2009}, month = {MAR}, pages = {383-386}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Incorporation of polyaniline (PANI) in epoxy type powder coating formulations has not been attempted earlier. Using specific grade of PANI with low doping, it can be incorporated in epoxy powder coating formulations by twin screw extrusion process. The powder formulations were deposited on steel substrates by electrostatic spray coating at -60 W and baked at 140 degrees C for 20 min. These were extensively tested for corrosion resistance by exposure to hot saline conditions followed by electrochemical impedance spectroscopy and also salt spray testing. PANI incorporated coatings showed no deterioration even after 1400 h of hot (65 degrees C) saline treatment. The coatings intentionally scratched also exhibited self healing property and there was no rust formation even after prolonged exposure to hot saline conditions. These results could be explained on the basis of additional crosslinking due to PANI, as confirmed by DSC results, which gave rise to improved barrier property and self healing was associated with the scavenging of ions by PANI which prevented corrosion of the underlying substrate. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Corrosion resistance, Epoxy, polyaniline, Powder coating}, issn = {0300-9440}, doi = {10.1016/j.pargcoat.2008.07.024}, author = {Radhakrishnan, S. and Sonawane, Narendra and Siju, C. R.} } @article { ISI:000265439000152, title = {Estimation of free fatty acid content in oils, fats, and biodiesel by (1)H NMR spectroscopy}, journal = {Energy \& Fuels}, volume = {23}, year = {2009}, month = {MAR}, pages = {2273-2277}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel (1)H NMR method for the quantification of free fatty acid (FFA) content in vegetable oils, animal fats, and biodiesel is reported. Nonedible oils and animal fats, which are increasingly being explored as cheaper, renewable feed stocks for biodiesel production by transesterification with methanol, contain a significant amount of FFA along with other acidic impurities. The (1)H NMR spectroscopic method is found to be more accurate than the conventional titrimetric analysis for the estimation of FFA content especially in those cases where acidic entities other than the FFA are also present in the feedstock. The titrimetric methods provide a gross acid value which corresponds to that of FFA and other acidic impurities. Our NMR method provides the FFA content exclusively. In the case of refined edible oils (wherein the other acidic impurities are negligible), the results obtained from the (1)H NMR method are comparable with those from the titrimetic analysis.

}, issn = {0887-0624}, doi = {10.1021/ef801011v}, author = {Satyarthi, Jitendra K. and Srinivas, D. and Ratnasamy, Paul} } @article { ISI:000268120200001, title = {Evaluation of repulsive particle swarm method for phase equilibrium and phase stability problems}, journal = {Fluid Phase Equilibria}, volume = {282}, number = {2}, year = {2009}, month = {AUG}, pages = {65-67}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Phase equilibrium and stability problems are of crucial importance in simulation, design and optimization of several separation processes. Recently, these problems have been solved using minimization of Gibbs free energy, using global optimization techniques. In this paper, repulsive particle swarm (RPS), a recent global optimization technique is explored for the Solution of phase stability and phase equilibrium. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Liquid-liquid equilibria, Phase equilibrium, Phase stability analysis, Repulsive particle swarm method}, issn = {0378-3812}, doi = {10.1016/j.fluid.2009.04.014}, author = {Rahman, Imran and Das, Anwesh Kr. and Mankar, Raju B. and Kulkarni, B. D.} } @article { ISI:000264236700037, title = {Exploration of click reaction for the synthesis of modified nucleosides as chitin synthase inhibitors}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {17}, number = {6}, year = {2009}, month = {MAR}, pages = {2433-2440}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {1, 2, 3-dipolar cycloaddition, 3-Triazole, 4-Disubstituted-1, 5 {\textquoteleft}-Azidouridine, Antifungal compounds, Chitin synthase activity, Click reaction, Uridine nucleosides}, issn = {0968-0896}, doi = {10.1016/j.bmc.2009.02.019}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Shirazi, Fazal and Razdan, Meenakshi and Nimkar, Prachi and Maybhate, Shailaja P. and Likhite, Anjali P. and Gonnade, Rajesh G. and Hazra, Braja G. and Deshpande, Mukund V. and Deshpande, Sunita R.} } @article { ISI:000266526200007, title = {Feature selection and classification employing hybrid ant colony optimization/random forest methodology}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {12}, number = {5}, year = {2009}, month = {JUN}, pages = {507-513}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Accurate classification of instances depends on identification and removal of redundant features. Classification of data having high dimensionality is usually performed in conjunction with an appropriate feature selection method. Feature selection enables identification of the most informative feature subset from the enormously vast search space that can accurately classify the given data. We propose an ant colony optimization (ACO)/random forest based hybrid filter-wrapper search technique, which traverses the search space and selects a feature subset with high classifying ability. We evaluate the performance of our algorithm on four widely studied CoEPrA (Comparative Evaluation of Prediction Algorithms, http://coepra.org) datasets. The performance of the software ants mediated hybrid filter/wrapper approach compares well with the available competition results. Thus, the proposed Ant Colony Optimization based technique can effectively find small feature subsets capable of classifying with a very good accuracy and can be employed for feature subset selection with a high level of confidence.

}, issn = {1386-2073}, author = {Patil, Diwakar and Raj, Rahul and Shingade, Prashant and Kulkarni, Bhaskar and Jayaraman, Valadi K.} } @article { ISI:000271103500001, title = {Festschrift in Honor of Dr. B. D. Kulkarni}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9355-9356}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0888-5885}, doi = {10.1021/ie901367r}, author = {Yadav, Ganapati D. and Jayaraman, Valadi K. and Ravikumar, V.} } @article { ISI:000272174500004, title = {Fluorescence study on interactions of alpha-crystallin with the molten globule state of 1, 4-beta-D-glucan glucanohydrolase from thermomonospora sp induced by guanidine hydrochloride}, journal = {Journal of Fluorescence}, volume = {19}, number = {6}, year = {2009}, month = {NOV}, pages = {967-973}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In this paper, the interaction between alpha- crystallin and molten globule structure of 1,4-beta-D-Glucan Glucohydrolase (TSC) from an alkalothermophilic Thermomonospora sp. was investigated mainly by fluorescence quenching spectra, circular dichroism and three dimensional fluorescence spectra under simulative physiological conditions. Denaturation studies using GdnCl indicated that TSC folds through a partially folded state that resembles molten globule at 1.8 M GdnCl. The chaperone activity of alpha- crystallin was employed to study refolding of TSC. Here we studied the refolding of GdnCl denatured TSC from its molten globule state (TSC-m complex) in the presence and absence of alpha-crystallin to elucidate the molecular mechanism of chaperone-mediated in vitro folding. Our results, based on intrinsic tryptophan fluorescence and ANS binding studies, suggest that alpha-crystallin formed a complex with a putative intermediate molten globule - like intermediate in the refolding pathway of TSC. Reconstitution of the active TSC was observed on cooling the alpha-crystallin aEuro cent TSC -m complex to 4A degrees C. Addition of alpha-crystallin to the molten globule - like intermediate of TSC (TSC-m complex) complex initiated the refolding of TSC with 69 \% recovery of the biological activity of the enzyme.

}, keywords = {ANS, Cellulase, Guanidine hydrochloride, Protein folding}, issn = {1053-0509}, doi = {10.1007/s10895-009-0496-5}, author = {Jagtap, Sharmili and Rao, Mala} } @article { ISI:000263152800005, title = {Formal synthesis of (+)-didemniserinolipid B employing a Pd-mediated 6-endo selective alkynediol cycloisomerization}, journal = {Tetrahedron Letters}, volume = {50}, number = {3}, year = {2009}, month = {JAN}, pages = {271-273}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Herein, we describe a concise assembly of central 6,8-dioxabicyclo[3,2,1]octane core of didemniserino-lipid by employing a Pd-mediated alkynediol cycloisomerization and a formal total synthesis of didemniserinolipid (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Didemniserinolipid, Yamaguchi oxirane alkyne coupling, Zipper reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.10.137}, author = {Ramana, C. V. and Induvadana, Boddeti} } @article { ISI:000271103500011, title = {Heterogeneous cobalt-saponite catalyst for liquid phase air oxidation of p-cresol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9423-9427}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie801941e}, author = {Kshirsagar, Vikas S. and Garade, Ajit C. and Patil, Kashinath R. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V.} } @article {43365, title = {Human blood vessel-derived endothelial progenitors for endothelialization of small diameter vascular prosthesis}, journal = {Plos One}, volume = {4}, year = {2009}, month = {NOV}, pages = {Article Number: e7718}, abstract = {Background: Coronary bypass graft failure as a result of acute thrombosis and intimal hyperplasia has been the major challenge in surgical procedures involving small-diameter vascular prosthesis. Coating synthetic grafts with patients{\textquoteright} own endothelial cells has been suggested to improve the patency rate and overall success of bypass surgeries. Methodology/Principal Findings: We isolated endothelial progenitor cells (EPCs) from leftover pieces of human saphenous vein/mammary artery. We demonstrate that EPCs can be expanded to generate millions of cells under low-density culture conditions. Exposure to high-density conditions induces differentiation to endothelial cell phenotype. EPC-derived endothelial cells show expression of CD144(high), CD31, and vWF. We then assessed the ability of differentiated endothelial cells to adhere and grow on small diameter expanded polytetrafluoroethylene (ePTFE) tubings. Since ePTFE tubings are highly hydrophobic, we optimized protocols to introduce hydrophilic groups on luminal surface of ePTFE tubings. We demonstrate here a stepwise protocol that involves introduction of hydrophilic moieties and coating with defined ECM components that support adhesion of endothelial cells, but not of blood platelets. Conclusion/Significance: Our data confirms that endothelial progenitors obtained from adult human blood vessels can be expanded in vitro under xenoprotein-free conditions, for potential use in endothelialization of small diameter ePTFE grafts. These endothelialized grafts may represent a promising treatment strategy for improving the clinical outcome of small-caliber vascular grafts in cardiac bypass surgeries.}, doi = {10.1371/journal.pone.0007718}, author = {Ranjan, Amaresh K. and Kumar, Umesh and Hardikar, Ashutosh A. and Poddar, Pankaj and Nair, Prabha D. and Hardikar, Anandwardhan A.} } @article {42582, title = {Hybrid core-shell nanoparticles: photoinduced electron-transfer for charge separation and solar cell application}, journal = {Chemistry of Materials}, volume = {21}, year = {2009}, month = {OCT}, pages = {5292{\textendash}5299}, abstract = {

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

}, doi = {10.1021/cm902404s}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000270147700079, title = {Hydrolysis of cellulose derived from steam exploded bagasse by penicillium cellulases: comparison with commercial cellulase}, journal = {Bioresource Technology}, volume = {100}, number = {24}, year = {2009}, month = {DEC}, pages = {6679-6681}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A complete cellulase from Penicillium pinophilum was evaluated for the hydrolysis of a-cellulose derived from steam exploded sugarcane bagasse and other cellulosic substrates. alpha-Cellulose at 1\% substrate concentration was completely hydrolyzed by Penicillium cellulase within 3 h wherein at 10\% the hydrolysis was 100\% within 24 h with an enzyme loading of 10 FPU/g. The hydrolysate yielded glucose as major end product as analyzed by HPLC. Under similar conditions, hydrolysis of Sigmacell (microcrystalline cellulose), CP-123 (pulverized cellulose powder) and ball milled Solka Floc were 42\%, 56\% and 52\%, respectively. Further the hydrolysis performance of Penicillium sp. cellulase is compared with Trichoderma reesei cellulase (Accellerase (TM) 1000) from Genencore. The kinetics of hydrolysis with respect to enzyme and substrate concentration will be presented. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Accellerase (TM) 1000, Enzymatic hydrolysis, High beta-glucosidase, Penicillium cellulase, Sugarcane bagasse}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.07.060}, author = {Singh, Rajkumar and Varma, Anjanikumar and Laxman, Ryali Seeta and Rao, Mala} } @article { ISI:000272560400015, title = {Immobilization of phosphotungstic acid (PTA) on imidazole functionalized silica: evidence for the nature of PTA binding by solid state NMR and reaction studies}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {50}, year = {2009}, month = {DEC}, pages = {21114-21122}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Phosphotungstic acid (PTA) immobilized onto imidazole functionalized fumed silica and was used its an efficient catalyst for epoxidation of a variety of olefins using aqueous H(2)O(2) as all oxidant. Negligible leaching of PTA under the reaction conditions employed indicates a strong interaction between PTA and imidazole The immobilized catalysts Could be separated and reused after the catalytic cycle Evidence for the heterogenization of PTA oil the imidazole functionalized fumed silica has been inferred from different spectroscopic techniques like IR, UV-vis, and NMR. Importantly, the nature of binding of PTA oil the support has been studied in detail by solid state NMR spectroscopy using (15)N labeled imidazole Support. It is clear from the NMR Studies that the effective heterogenization of PTA is mainly due to imidazolium ion Formation oil the support by the acidic protons of PTA and the resultant ion pair

}, issn = {1932-7447}, doi = {10.1021/jp906108e}, author = {Sofia, L. T. Aany and Krishnan, Asha and Sankar, M. and Raj, N. K. Kala and Manikandan, Palanichamy and Rajamohanan, P. R. and Ajithkumar, Thalasseril G.} } @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 {42581, title = {Induce negative differential resistance in organic devices through a ferroelectric polymer}, journal = {Organic Electronics}, volume = {10}, year = {2009}, month = {JUN}, pages = {1116{\textendash}1119}, abstract = {

We report how ferroelectric materials induce negative differential resistance (NDR) in organic devices. Fluorescein, which exhibits semiconducting current{\textendash}voltage characteristics, shows NDR effect in a ferroelectric matrix. Here, we vary the concentration of fluorescein in the ferroelectric matrix to study its effect on NDR. We also show how the degree of polarization controls NDR. We infer that under a suitable bias, the ferroelectric polymer becomes polarized to facilitate electron-injection in the device followed by a double-reduction of fluorescein molecules. From the capacitance{\textendash}voltage measurements, we substantiate the role of polarization in inducing NDR effect in organic molecules.

}, doi = {10.1016/j.orgel.2009.05.027}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000269470200028, title = {Influence of dopant ions on properties of conducting polypyrrole and its electrocatalytic activity towards methanol oxidation}, journal = {Synthetic Metals}, volume = {159}, number = {15-16}, year = {2009}, month = {AUG}, pages = {1682-1688}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The polypyrrole (PPy) films were deposited on vacuum metallized substrates by electro-oxidation of pyrrole monomer. These electrodes were then modified with a range of metal halides having different electronegativities. The modified polypyrrole electrodes were employed to investigate electrocatalytic activity towards methanol electrochemical oxidation by means of cyclic voltammetry in 0.1 M HClO(4) as supporting electrolyte. It was found that the electronegativity of the dopant ion incorporated in the PPy film governs the electrocatalytic activity towards methanol oxidation. Among different dopant anions used in the present work, the PPy doped with zirconium chloride gave the highest anodic current of 10 mA cm(-2) at the oxidation potential of methanol. Electrical property and the charge created due to doping in the polymers were measured using X-ray photoelectron spectroscopy (XPS) and Electron spin resonance spectroscopy (ESR). Electrocatalytic activity of the modified electrodes was correlated with various factors obtained from different polymer characterization experiments. The results were explained on the basis of the charge-transfer efficiency at the electrode I electrolyte interface, which was associated with the acceptor state created by the dopant in the semi-conducting polymer. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {charge transfer, electrocatalyst, ESR, Metal halide dopant, Methanol oxidation, polypyrrole, XPS}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2009.05.007}, author = {Adhikari, Arindam and Radhakrishnan, S. and Patil, Rahul} } @article { ISI:000271713300024, title = {Influence of electronic factors on pd-mediated cycloisomerization: a systematic investigation of competitive 6-exo-dig versus 7-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {65}, number = {47}, year = {2009}, month = {NOV}, pages = {9819-9832}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Palladium, Sonogashira coupling, Sugar alkynol}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.09.071}, author = {Ramana, C. V. and Induvadana, Boddeti and Srinivas, Burgula and Yadagiri, Kommagalla and Deshmukh, Madhusudhan N. and Gonnade, Rajesh G.} } @article { ISI:000267159700033, title = {Investigations on Ru doped ZnO: strain calculations and gas sensing study}, journal = {Sensors and Actuators B-Chemical}, volume = {139}, number = {2}, year = {2009}, month = {JUN}, pages = {466-470}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Pure and ruthenium (Ru) doped nano-crystalline zinc oxide (ZnO) powders were synthesized by using well-known citrate gel route. Citric acid acts as a chelating agent and thus helps in the formation of nanoparticles. The detailed X-ray diffraction (XRD) studies using Hall equation reveal that in the nanoscale dimensions, incorporation of Ru modulates the lattice strain. It is interesting to note that on Ru doping, the compressive strain present in the undoped ZnO changes into tensile strain. We have tested the response of these specimens individually for reducing gases like H(2), LPG (liquefied petroleum gas), C(2)H(5)OH (ethanol), CO, acetone and oxidizing gases like NO, and Cl(2). Undoped ZnO responses perceptibly to LPG while Ru doped sample highly senses ethanol vapors. This might be due to either change in composition on Ru doping or/and difference between basicity of LPG and C(2)H(5)OH vapors. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Citrate gel, Ethanol sensor, LPG sensor, Nanomaterials, ruthenium}, issn = {0925-4005}, doi = {10.1016/j.snb.2009.03.068}, author = {Navale, Shalaka C. and Ravi, V. and Mulla, Imtiaz S.} } @article { ISI:000268905100015, title = {Kinetics of arylation of 3-bromo-benzophenone with n-butylacrylate using NC palladacycle catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {309}, number = {1-2}, year = {2009}, month = {AUG}, pages = {111-116}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The kinetics of arylation of n-butylacrylate (n-BA) with 3-bromo-benzophenone (BBP) using a monomeric palladacycle complex [Pd(ppy)(PPh(3))(OTs)](ppy=2-phenylpyridine) catalyst has been studied. The effect of concentration of the substrate, base (NaOAc), and catalyst was studied at three different temperatures (413-433 K). The rate was found to be first order with respect to catalyst, first order tending to zero order with respect to n-butylacrylate and NaOAc concentrations. The rate passed through a maximum with variation of BBP concentration. The observed results have been explained on the basis of formation of Pd species (PdX(2), PdX(3)(-), PdX(4)(2-), and Pd(2)X(6)(2-)) which are inactive for the Heck reaction. Various empirical rate equations were considered to fit the rate data and the best fitting model has been selected. The rates predicted by model were found to be in good agreement with the observed experimental data. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Arylation, Heck reaction, kinetics, Palladacycle}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.05.003}, author = {Atla, Shashi B. and Rajurkar, Kalpendra B. and Kelkar, Ashutosh A. and Chaudhari, Raghunath V.} } @article { ISI:000266263000034, title = {Liquid phase oxidation of p-cresol over cobalt saponite}, journal = {Topics in Catalysis}, volume = {52}, number = {6-7}, year = {2009}, month = {JUN}, pages = {784-788}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

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

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

}, keywords = {3-Iodolawsone, Hydroxynaphthoquinone (HNQ), Hydroxynaphthosemiquinone radical (HNSQ), Magnetic phase transition, Polymorphs, Valence tautomers}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.10.005}, author = {Zaware, Santosh B. and Dagade-Waghmode, Shobha and Gonnade, Rajesh G. and Srinivas, Darbha and Rane, Sandhya Y.} } @article { ISI:000267086900013, title = {Magnetizability of doublet radicals using fock space multi-reference coupled cluster method}, journal = {International Journal of Quantum Chemistry}, volume = {109}, number = {10, SI}, year = {2009}, month = {AUG}, pages = {2191-2198}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this article, we report the first implementation of the recently developed Fock space multi reference Coupled cluster (FSMRCC) response approach for magnetizabilities. The FSM-RCC treats dynamic and static correlation in a very extensive manner. We report pilot application of the diarnagnetizability of NO, NO2, OH, and BH2 radicals. We also report preliminary applications of the paramagnetic magnetizability of the NO radical. Standard atom-centered Gaussian basis functions have been used, and this allowed US to Study the gauge dependence of the magnetizabilities. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2191-2198, 2009

}, keywords = {Fock space, magnetizability, multireference}, issn = {0020-7608}, doi = {10.1002/qua.22093}, author = {Ravichandran, Lalitha and Vaval, Nayana and Pal, Sourav} } @article { ISI:000263397900005, title = {Manipulation of magnetic nanostructures through low temperature metal-oxygen chemistry: Co/CoO exchange biased nanodonuts and Co nanotips}, journal = {Solid State Communications}, volume = {149}, number = {7-8}, year = {2009}, month = {FEB}, pages = {277-280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Co/CoO, Magnetic film, self assembly, Vacuum evaporation}, issn = {0038-1098}, doi = {10.1016/j.ssc.2008.12.019}, author = {Phase, Deodatta and Choudhary, Ram Janay and Ganesan, V. and Reddy, V. Raghvendra and Gupta, Ajay and Selvi, N. and Kulkarni, Sneha and Ogale, Satishchandra} } @article { ISI: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:000263353200007, title = {Microwave dielectric and attenuation properties of Ni0.7-xCoxZn0.3Fe2O4 thick films}, journal = {Microelectronics International}, volume = {26}, number = {1}, year = {2009}, month = {JAN}, pages = {43-46}, publisher = {EMERALD GROUP PUBLISHING LIMITED}, address = {HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND}, abstract = {

Purpose - The aim of this paper is to investigate permittivity of nano structured Ni0.7-xCoxZn0.3Fe2O4 thick films at microwave frequencies. Design/methodology/approach - Nanosized Ni0.7-xCoxZn0.3Fe2O4 ferrites with x = 0, 0.04, 0.08 and 0.12 were prepared by sucrose precursor technique using the constituent metal nitrates. Thick films of the ferrites were fabricated on alumina substrates by screen-printing technique. Microwave dielectric constant (epsilon{\textquoteright}) and the loss factor (epsilon {\textquoteleft}{\textquoteright}) for the thick films were measured by VSWR slotted section method in the 8-18 GHz range of frequencies. Microwave attenuation properties were studied using a waveguide reflectometer set up. Findings - Both the epsilon{\textquoteright} and epsilon {\textquoteleft}{\textquoteright} were found to vary with frequency and composition x It is observed that, value of epsilon{\textquoteright} increases with increase in x, due to the increase in bulk density and reduction in porosity of the material, that resulted due to the substitution of cobalt in Ni-Zn ferrite. The microwave transmission loss offered by the thick films was found to increase with the increase in cobalt concentration x Within the band width of 4 GHz (from 12-16 GHz), all the films except that with x = 0.04 offered the reflection loss of less than 3 dB. Originality/value - The dielectric constant of Ni0.7-xCoxZn0.3Fe2O4 thick films have been reported for the first time. These thick films provide scope for cost effective planar ferrite devices.

}, keywords = {Microwaves, Oxides, Thick-film circuits}, issn = {1356-5362}, doi = {10.1108/13565360910923160}, author = {Rendale, M. K. and Kulkarni, S. D. and Puri, Vijaya} } @article { ISI:000269059100008, title = {Molecular mapping of wilt resistance genes in chickpea}, journal = {Molecular Breeding}, volume = {24}, number = {2}, year = {2009}, month = {SEP}, pages = {177-183}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Ammonia TPD, Dihydroxydiarylmethane, Hydroxyalkylation, Montmorillonite, Solid acids}, issn = {0169-1317}, doi = {10.1016/j.clay.2008.07.015}, author = {Garade, Ajit C. and Mate, Vivek R. and Rode, C. V.} } @article { ISI:000266674700038, title = {Novel foldamer structural architecture from cofacial aromatic building blocks}, journal = {Chemical Communications}, number = {23}, year = {2009}, month = {MAY}, pages = {3446-3448}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication demonstrates the utility of peri-substituted 1,8-diphenylnaphthalene as an effective building block for the construction of novel conformationally ordered synthetic oligomers displaying cofacial structural features.

}, issn = {1359-7345}, doi = {10.1039/b822113h}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Chandran, Jima N. and Rajamohanan, Pattuparampil R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article {42580, title = {Organic memory and electrical bistability in a quinone {\textendash}based charge transfer complex}, journal = {Proceedings of the IEEE}, volume = {97}, year = {2009}, month = {AUG}, abstract = {

We present an overview of the issues of organic memory devices and discuss the mechanisms involved in conductance switching. To make the memory elements addressable, we introduce nanostructures of a quinone-based charge-transfer complex. The devices based on charge-transfer complexes exhibit electrical bistability. Apart from characterizing complex formation, we study characteristics of memory devices based on the complexes. The mechanism of bistability has been discussed in terms of electroreduction of the quinone derivative with the formation of a percolating network of conducting molecules or channels across the device. Depending on the device architecture, a device may exhibit memoryswitching or threshold-switching phenomenon. The former system has displayed read-only and random-access memory applications.

}, doi = {10.1109/JPROC.2009.2021962}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000264627400028, title = {Pd(II)-mediated alkynediol spiroketalization: first total synthesis of (-)-cephalosporolide E and (+)-cephalosporolide F}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {7}, year = {2009}, month = {APR}, pages = {2842-2845}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0022-3263}, doi = {10.1021/jo802539z}, author = {Ramana, C. V. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000268508900011, title = {Pd-mediated intramolecular ketalization of alkynediols: construction of the central [3.2.1]-bicyclic ketal core of cyclodidemniserinol trisulfate}, journal = {Tetrahedron Letters}, volume = {50}, number = {34}, year = {2009}, month = {AUG}, pages = {4844-4847}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A preliminary study dealing with the Pd-mediated alkynediol cycloisomerization to construct the central bicyclic ketal core of cyclodidemniserinol trisulfate is documented. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Cyclodidemniserinol trisulfate, Yamaguchi oxirane-alkyne coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.06.023}, author = {Ramana, C. V. and Mallik, Rosy and Sahoo, Gokarneswar} } @article { ISI:000266094300033, title = {Phase behavior of hydrogenation of 2-tert-butylphenol over a charcoal-supported rhodium catalyst in carbon dioxide solvent}, journal = {Journal of Chemical and Engineering Data}, volume = {54}, number = {5}, year = {2009}, month = {MAY}, pages = {1610-1612}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic hydrogenation of 2-tert-butyl phenol over a charcoal-supported rhodium catalyst in carbon dioxide solvent at 313 K was studied in a batch reactor. To elucidate the effect of carbon dioxide pressure on the initial rate of reaction, the phase behavior of the ternary (2-tert-butylphenol-carbon dioxide-hydrogen) system was separately observed with a view cell, and the calculations of vapor-liquid equilibrium and compositions in the vapor and liquid phases inside the reactor were carried out using the Peng-Robinson equation of state. The hydrogenation behavior in the carbon dioxide solvent is discussed based on the phase behavior of the ternary system.

}, issn = {0021-9568}, doi = {10.1021/je800932w}, author = {Hiyoshi, Norihito and Masuda, Yoshio and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000262435000012, title = {Phylogenetic analysis, homology modelling, molecular dynamics and docking studies of caffeoyl-CoA-O- methyl transferase (CCoAOMT 1 and 2) isoforms isolated from subabul (Leucaena leucocephala)}, journal = {Journal of Molecular Modeling}, volume = {15}, number = {2}, year = {2009}, month = {FEB}, pages = {203-221}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Caffeoyl coenzyme A O-methyltransferase (CCoAOMT) is an important enzyme that participates in lignin biosynthesis especially in the formation of cell wall ferulic esters of plants. It plays a pivotal role in the methylation of the 3-hydroxyl group of caffeoyl CoA. Two cDNA clones that code CCoAOMT were isolated earlier from subabul and in the present study; 3D models of CCoAOMT1 and CCoAOMT2 enzymes were built using the MODELLER7v7 software to find out the substrate binding sites. These two proteins differed only in two amino acids and may have little or no functional redundancy. Refined models of the proteins were obtained after energy minimization and molecular dynamics in a solvated water layer. The models were further assessed by PROCHECK, WHATCHECK, Verify_3D and ERRAT programs and the results indicated that these models are reliable for further active site and docking analysis. The refined models showed that the two proteins have 9 and 10 alpha-helices, 6 and 7 beta-sheets respectively. The models were used for docking the substrates CoA, SAM, SAH, caffeoyl CoA, feruloyl CoA, 5-hydroxy feruloyl CoA and sinapyl CoA which showed that CoA and caffeoyl CoA are binding with high affinity with the enzymes in the presence and absence of SAM. It appears therefore that caffeoyl CoA is the substrate for both the isoenzymes. The results also indicated that CoA and caffeoyl CoA are binding with higher affinity to CCoAOMT2 than CCoAOMT1. Therefore, CCoAOMT2 conformation is thought to be the active form that exists in subabul. Docking studies indicated that conserved active site residues Met58, Thr60, Val63, Glu82, Gly84, Ser90, Asp160, Asp162, Thr169, Asn191 and Arg203 in CCoAOMT1 and CCoAOMT2 enzymes create the positive charge to balance the negatively charged caffeoyl CoA and play an important role in maintaining a functional conformation and are directly involved in donor-substrate binding.

}, keywords = {Caffeoyl-CoA 3-O-methyl transferase, docking, Modelling, S-adenosyl homocysteine}, issn = {1610-2940}, doi = {10.1007/s00894-008-0395-8}, author = {Pagadala, Nataraj Sekhar and Arha, Manish and Reddy, P. S. and Kumar, Ranadheer and Sirisha, V. L. and Prashant, S. and Reddy, K. Janardhan and Khan, Bashir Mohammad and Rawal, S. K. and Kishor, P. B. Kavi} } @article { ISI:000270383400068, title = {Physical test of a particle simulation model in a sheared granular system}, journal = {Physical Review E}, volume = {80}, number = {3}, year = {2009}, month = {SEP}, pages = {031305}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We report a detailed comparison of a slow gravity-driven sheared granular flow with a discrete-element simulation performed in the same geometry. In the experiments, grains flow inside a silo with a rectangular cross section and are sheared by a rough boundary on one side and smooth boundaries on the other sides. Individual grain position and motion are measured using a particle index-matching imaging technique where a fluorescent dye is added to the interstitial liquid which has the same refractive index as the glass beads. The simulations use a Cundall-Strack contact model between the grains using contact parameters that have been used in many other previous studies and ignore the hydrodynamic effects of the interstitial liquid. Computations are performed to understand the effect of particle coefficient of friction, elasticity, contact model, and polydispersity on mean flow properties. We then perform a detailed comparison of the particle fluctuation properties as measured by the displacement probability distribution function and the mean square displacement. All in all, our study suggests a high level of quantitative agreement between the simulations and experiments.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.80.031305}, author = {Rycroft, Chris H. and Orpe, Ashish V. and Kudrolli, Arshad} } @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 { ISI:000265814500012, title = {Polypyrrole functionalized with ferrocenyl derivative as a rapid carbon monoxide sensor}, journal = {Synthetic Metals}, volume = {159}, number = {5-6}, year = {2009}, month = {MAR}, pages = {415-418}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A rapid carbon monoxide detection system was developed with the electrochemical functioncalization of polypyrrole (PPy) with ferrocenylmethyltrimethylammonium iodide (FTMA-I) as a co-dopant exhibits very high sensitivity to ppm levels of carbon monoxide gas and fast recovery under normal dry room temperature conditions. The co-dopant was synthesized mainly to incorporate into PPy electrochemically to modify the properties in order to sense carbon monoxide (CO) gas. The FTMA-I doped PPy exhibited the characteristics oxidation/reduction peaks for ferrocene in its cyclic voltammograms. The modified PPy films deposited on interdigited electrodes gave rapid sensitivity within a second to 300 ppm carbon monoxide gas and good sensitivity factor was observed even at 4 mmol of the functional groups in the polymer for 300 ppm carbon monoxide gas. This material detected the CO gas concentration as low as 100 ppm. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {carbon monoxide, Chemical sensor, conducting polymer, polypyrrole}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2008.10.013}, author = {Paul, Santhosh and Chavan, Nayaku and Radhakrishnan, S.} } @article { ISI:000264309000017, title = {Pressure drop across vortex diodes: experiments and design guidelines}, journal = {Chemical Engineering Science}, volume = {64}, number = {6}, year = {2009}, month = {MAR}, pages = {1285-1292}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Vortex diodes are used as leaky non-return valves in applications where it is desirable to avoid valves with moving parts. Despite their use in practice for several decades, no clear guidelines for design and optimization of vortex diodes are available. Detailed experimental study on flow and pressure drop characteristics of vortex diodes was therefore carried out to evolve such guidelines. The study covered a wide range of vortex diodes. The variation of diodicity (ratio of pressure drop for reverse and forward flow for the same flow rate) with respect to diode geometry, diode size (d(c)), aspect ratio (d(c)/h), nozzle configuration and Reynolds number (Re) was studied. The experimental results were critically analyzed to develop a design methodology. The methodology is shown to be useful for obtaining the diode dimensions that would yield the desired diodicity for the required operating flow rate. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Aspect ratio, Diodicity, Nozzles, pressure drop, Vortex diode}, issn = {0009-2509}, doi = {10.1016/j.ces.2008.10.060}, author = {Kulkarni, Amol A. and Ranade, Vivek V. and Rajeev, R. and Koganti, S. B.} } @article { ISI:000271103500037, title = {Quantitative structure-property relationship (QSPR) prediction of liquid viscosities of pure organic compounds employing random forest regression}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9708-9712}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A quantitative structure-property relationship (QSPR) approach was used to develop a predictive model for viscosities of pure organic liquids using a set of 403 compounds that belong to diverse classes of organic chemicals. A pool of 116 descriptors that encode topostructural, topochemical, electrotopological, geometrical, and quantum chemical properties of the organic compounds was used to develop QSPR models, based on the robust Random Forest (RF) regression algorithm. The performance of the algorithm, in terms of correlation coefficients and mean square errors, was determined to be good. The capability of the algorithm to build models and select the most-informative features simultaneously is very useful for several quantitative structure-activity/property relationship tasks. The eight most-dominant features selected by the RF regression algorithm primarily contained predictors that encode characteristics of atoms and groups that form hydrogen bonds, as well as factors involving molecular shape and size.

}, issn = {0888-5885}, doi = {10.1021/ie8018406}, author = {Rajappan, Remya and Shingade, Prashant D. and Natarajan, Ramanathan and Jayaraman, Valadi K.} } @article { ISI:000263491600023, title = {Selective hydroxyalkylation of phenol to bisphenol F over dodecatungstophosphoric acid (DTP) impregnated on fumed silica}, journal = {Applied Catalysis A-General}, volume = {354}, number = {1-2}, year = {2009}, month = {FEB}, pages = {176-182}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Bisphenol F, Hydroxyalkylation, NH(3)-TPD, Reaction pathways, solid acid catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.11.025}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Rode, C. V.} } @article { ISI:000264437500002, title = {Selective oxidations over zeolite- and mesoporous silica-based catalysts: selected examples}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {3-11}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Mn-Salen, Oxidation of hydrocarbons and limonene, Reactive oxo species, Selective oxidation, Titanosilicates, Zeolite-encapsulated metal complexes}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.03.009}, author = {Ratnasamy, Paul and Srinivas, Darbha} } @article { ISI:000264490200029, title = {Short total synthesis of (+)-cryptocarya diacetate}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {945-952}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Brook Rearrangement, cryptocarya diacetate, Diastereoselective Reduction, Horner-Wadswarth-Emmons Reaction, Linchpin coupling}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)107}, author = {Gurjar, Mukund K. and Raghupathi, Neelarapu and Chorghade, Mukund S.} } @article { ISI:000270338700005, title = {Solid acid catalysts: modification of acid sites and effect on activity and selectivity tuning in various reactions}, journal = {Catalysis Surveys from Asia}, volume = {13}, number = {3}, year = {2009}, month = {SEP}, pages = {205-220}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Acidity tuning, Catalytic cleavage, Hydroxyalkylation, Intramolecular rearrangement, solid acid catalysts}, issn = {1571-1013}, doi = {10.1007/s10563-009-9078-4}, author = {Rode, C. V. and Garade, Ajit C. and Chikate, Rajeev C.} } @article { ISI:000271103500038, title = {Solid suspension and liquid phase mixing in solid-liquid stirred tanks}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9713-9722}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0888-5885}, doi = {10.1021/ie801858a}, author = {Sardeshpande, Madhavi V. and Sagi, Aparna R. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000266780000004, title = {Solvent-induced self-assembly in cardanol-based urethane methacrylate comb polymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {12}, year = {2009}, month = {JUN}, pages = {2996-3009}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {Morphology, polyurethanes, Renewable resources, self-organization}, issn = {0887-624X}, doi = {10.1002/pola.23383}, author = {Rekha, N. and Asha, S. K.} } @article { ISI:000271055100016, title = {Stereoselective synthesis of the densely functionalized C1-C9 fragment of amphidinolides C and F}, journal = {Tetrahedron Letters}, volume = {50}, number = {46}, year = {2009}, month = {NOV}, pages = {6276-6279}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

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

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

}, issn = {1477-0520}, doi = {10.1039/b822076j}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Chandran, Jima N. and Rajamohanan, P. R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000264717200003, title = {Structural phase transitions of syndiotactic polystyrene}, journal = {Progress in Polymer Science}, volume = {34}, number = {3}, year = {2009}, month = {MAR}, pages = {280-315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {crystal structure, Gelation, phase transition, polymorphism, Solvent-induced crystallization, Syndiotactic polystyrene}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2008.11.002}, author = {Gowd, E. Bhoje and Tashiro, Kohji and Ramesh, C.} } @article { ISI:000264490200027, title = {Studies toward the total synthesis of carba analogue of motif C OF M. TB cell wall AG complex}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {909-925}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Allylic Alkylation, desymmetrization, Fraser-Reid{\textquoteright}s Glycosidation, M. Tb Ag Complex, Mycobacterium tuberculosis}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)59}, author = {Gurjar, Mukund K. and Reddy, Challa Nageswar and Kalkote, Uttam R. and Chorghade, Mukund S.} } @article { ISI:000267994500002, title = {Synthesis and characterization of novel schiff base polyurethanes}, journal = {Journal of Applied Polymer Science}, volume = {113}, number = {5}, year = {2009}, month = {SEP}, pages = {2747-2754}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

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

}, keywords = {amorphous, Morphology, polyurethanes, synthesis, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.28257}, author = {Raghu, A. V. and Gadaginamath, G. S. and Jeong, Han Mo and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI: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:000270973600047, title = {Synthesis of framework Ti-substituted, 3-D hexagonal, mesoporous Ti-SBA-12 for selective catalytic oxidation}, journal = {Chemical Communications}, number = {42}, year = {2009}, month = {SEP}, pages = {6484-6486}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/b915324a}, author = {Kumar, Anuj and Srinivas, Darbha and Ratnasamy, Paul} } @article { ISI:000269715600024, title = {Total syntheses and absolute stereochemistry of decarestrictines C-1 and C-2}, journal = {Tetrahedron Letters}, volume = {50}, number = {40}, year = {2009}, month = {OCT}, pages = {5636-5639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The total syntheses of decarestrictines C-1 and C-2 have been described. The synthetic strategy involves a practical and flexible approach using esterification and ring-closing metathesis to unite the acid and alcohol fragments. The acid fragments are enantiomers of each other and have been prepared from L-(-)-malic acid via similar transformations; in Sharpless asymmetric epoxidation, (+)-DET has been used for decarestrictine C-1 and (-)-DET for decarestrictine C-2. The alcohol fragment is identical for both decarestrictines C-1 and C-2 and has been accessed from D-(+)-mannitol. Comparison of the H-1 and C-13 NMR data combined with the computational studies predicts the presence of two conformations without and with hydrogen bonding (conformational isomers I and II for decarestrictine C-1), respectively. The H-1 and C-13 NMR data for decarestrictine C-2 completely agreed with the analytical data reported by Kibayashi et al. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Decarestrictines, Pinnick oxidation, Ring-closing metathesis, Sharpless asymmetric epoxidation, Yamaguchi coupling reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.07.099}, author = {Mohapatra, Debendra K. and Sahoo, Gokarneswar and Ramesh, Dhondi K. and Rao, J. Srinivasa and Sastry, G. Narahari} } @article {43208, title = {Total synthesis of (+/-)-petasitolone and (+/-)-fukinone}, journal = {Synthesis-Stuttgart}, year = {2009}, month = {NOV}, pages = {3833-3837}, abstract = {An efficient, general, and fully stereocontrolled synthesis of eremophilane-type compounds is disclosed. The approach features a highly diastereoselective Diels-Alder/aldol sequence to give a common intermediate, which is subsequently exploited to produce (+/-)-petasitolone and (+/-)-fukinone in a short sequence.}, doi = {10.1055/s-0029-1218150}, author = {Pasikanti, Srinivas and Reddy, D. Srinivasa and Iqbal, Javed and Dubey, Pramod Kumar and Das, Parthasarathi} } @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:000264558200004, title = {Visible light induced photoreduction of methyl orange by N-doped mesoporous titania}, journal = {Applied Catalysis A-General}, volume = {357}, number = {1}, year = {2009}, month = {MAR}, pages = {26-33}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {biopolymer, Chitosan, MO photoreduction, N-doped mesoporous titania, Visible active photocatalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.12.030}, author = {Joshi, Meenal M. and Labhsetwar, Nitin K. and Mangrulkar, Priti A. and Tijare, Saumitra N. and Kamble, Sanjay P. and Rayalu, Sadhana S.} } @article { ISI:000264541800007, title = {Y-junction nanostructures of palladium: enhanced electrocatalytic properties for fuel cell reactions}, journal = {Journal of Electroanalytical Chemistry}, volume = {627}, number = {1-2}, year = {2009}, month = {MAR}, pages = {58-62}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Here we demonstrate the utility of hierarchically designed alumina templates for the formation of palladium Y-junction nanostructures through a chemical vapor deposition route. These structures exhibit enhanced electrocatalytic activity for the oxidation of formic acid (up to 1020\%) compared to that of platinum Y-junction nanostructures, which could be of immense relevance to portable fuel cell technology, since designing a better electrocatalyst for fuel cell reactions continues to be an important challenge. Apart from the obvious applications in fuel cell electrocatalysis, these Y-junction nanostructures could also act as promising candidates for room temperature hydrogen separation and more importantly as interconnects in molecular scale electronic devices. The present method of fabrication of Y-junction nanostructures using hierarchical alumina templates could be extended to other metallic/semiconducting systems facilitating more general opportunities for such hierarchical designs in nanoelectronics. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {electrocatalysts, fuel cells, Hierarchical structures, Nanostructure, Porous alumina membrane, Y-junctions}, issn = {1572-6657}, doi = {10.1016/j.jelechem.2008.12.021}, author = {Subhramannia, Mahima and Ramaiyan, Kannan and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000263875000017, title = {Yttria-zirconia-based lewis acid catalysis of the biginelli reaction: an efficient one-pot synthesis of 3,4-dihydropyrimidin-2-(1H)-ones}, journal = {Synthetic Communications}, volume = {39}, number = {7}, year = {2009}, month = {MAR}, pages = {PII 909239399}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Yttria-zirconia-based Lewis acid efficiently catalyzes the three-component cyclocondensation reaction of aldehyde, -keto ester, and urea or thiourea in refluxing acetonitrile to produce the corresponding dihydropyrimidones in high yields.

}, keywords = {Biginelli reaction, dihydropyrimidone, yttria-zirconia-based Lewis acid}, issn = {0039-7911}, doi = {10.1080/00397910802519174}, author = {Ramalingam, S. and Kumar, Pradeep} } @article { ISI:000276010700025, title = {Acidity tuning of montmorillonite K10 by impregnation with dodecatungstophosphoric acid and hydroxyalkylation of phenol}, journal = {Applied Clay Science}, volume = {48}, number = {1-2, SI}, year = {2010}, month = {MAR}, pages = {164-170}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Acidity tuning, Dodecatungstophosphoric acid/Montmorillonite K10, Hydroxyalkylation, Impregnation, Temperature programmed desorption}, issn = {0169-1317}, doi = {10.1016/j.clay.2009.11.042}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Mane, R. B. and Ghalwadkar, Ajay A. and Joshi, U. D. and Rode, C. V.} } @article { ISI: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 {42798, title = {Amino-phenol-formaldehyde resins by in-situ generation of catalyst}, number = {2536/DEL}, year = {2010}, month = {JAN}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000279803700017, title = {Antibacterial \& antiplasmid activities of Helicteres isora L.}, journal = {Indian Journal of Medical Research}, volume = {132}, number = {1}, year = {2010}, month = {JUL}, pages = {94-99}, publisher = {INDIAN COUNCIL MEDICAL RES}, address = {PO BOX 4911 ANSARI NAGAR, NEW DELHI 110029, INDIA}, abstract = {

Background \& objectives: The multiple drug resistance (MDR) is a serious health problem and major challenge to the global drug discovery programmes. Most of the genetic determinants that confer resistance to antibiotics are located on R-plasmids in bacteria. The present investigation was undertaken to investigate the ability of organic extract of the fruits of Helicteres isora to cure R-plasmids from certain clinical isolates. Methods: Active fractions demonstrating antibacterial and antiplasmid activities were isolated from the acetone extracts of shade dried fruits of H. isora by bioassay guided fractionation. Minimal inhibitory concentration (MIC) of antibiotics and organic extracts was determined by agar dilution method. Plasmid curing activity of organic fractions was determined by evaluating the ability of bacterial colonies (pre treated with organic fraction for 18 h) to grow in the presence of antibiotics. The physical loss of plasmid DNA in the cured derivatives was further confirmed by agarose gel electrophoresis. Results: The active fraction did not inhibit the growth of either the clinical isolates or the strains harbouring reference plasmids even at a concentration of 400 mu g/ml. However, the same fraction could cure plasmids from Enterococcus faecalis, Escherichia coli, Bacillus cereus and E. coli (RP4) at curing efficiencies of 14, 26, 22 and 2 per cent respectively. The active fraction mediated plasmid curing resulted in the subsequent loss of antibiotic resistance encoded in the plasmids as revealed by antibiotic resistance profile of cured strains. The physical loss of plasmid was also confirmed by agarose gel electrophoresis. Interpretation \& conclusions: The active fraction of acetone extract of H. isora fruits cured R-plasmids from Gram-positive and Gram-negative clinical isolates as well as reference strains. Such plasmid loss reversed the multiple antibiotic resistance in cured derivatives making them sensitive to low concentrations of antibiotics. Acetone fractions of H. isora may be a source to develop antiplasmid agents of natural origin to contain the development and spread of plasmid borne multiple antibiotic resistance.

}, keywords = {antibacterial activity, Antibiotic resistance, antiplasmid activity, Helicteres isora, multiple drug resistance, plasmid-curing}, issn = {0971-5916}, author = {Shriram, Varsha and Jahagirdar, Sheetal S. and Latha, C. and Kumar, Vinay and Dhakephalkar, Prashant K. and Rojatkar, Supada and Shitole, Mahadeo G.} } @article { ISI:000280656200027, title = {Antibiotic mediated synthesis of gold nanoparticles with potent antimicrobial activity and their application in antimicrobial coatings}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {32}, year = {2010}, month = {JUL}, pages = {6789-6798}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a one-pot synthesis of spherical gold nanoparticles (52-22 nm) and their capping with cefaclor, a second-generation antibiotic, without use of other chemicals. The differently sized gold nanoparticles were fabricated by controlling the rate of reduction of gold ions in aqueous solution by varying the reaction temperature (20-70 degrees C). The primary amine group of cefaclor acted as both the reducing and capping agent for the synthesis of gold nanoparticles leaving the beta-lactam ring of cefaclor available for activity against microbes. Antimicrobial testing showed that cefaclor reduced gold nanoparticles have potent antimicrobial activity against both Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria as compared to cefaclor or gold nanoparticles alone. The minimum inhibition concentrations (MICs) of cefaclor reduced gold nanoparticles were 10 mu g mL(-1) and 100 mu g mL(-1) for S. aureus and E. coli respectively. The cefaclor reduced gold nanoparticles were further coated onto poly(ethyleneimine) (PEI) modified glass surfaces to obtain antimicrobial coatings suitable for biomedical applications and were tested against E. coli as an exemplar of activity. The antimicrobial coatings were very robust under adverse conditions (pH 3 and 10), inhibited the growth of E. coli on their surfaces, and could be used many times with retained activity. Results from a combined spectroscopic (FTIR) and microscopic study (AFM) suggest that the action of these novel particles is through the combined action of cefaclor inhibiting the synthesis of the peptidoglycan layer and gold nanoparticles generating {\textquoteleft}{\textquoteleft}holes{\textquoteright}{\textquoteright} in bacterial cell walls thereby increasing the permeability of the cell wall, resulting in the leakage of cell contents and eventually cell death.

}, issn = {0959-9428}, doi = {10.1039/c0jm00817f}, author = {Rai, Akhilesh and Prabhune, Asmita and Perry, Carole C.} } @article { ISI:000273942600008, title = {Antifungal agents, WO2009025733}, journal = {Expert Opinion on Therapeutic Patents}, volume = {20}, number = {1}, year = {2010}, month = {JAN}, pages = {137-143}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {

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

}, keywords = {Antifungal agents, CaFT, isoxazolidinone, parnafungins, secalonic acids}, issn = {1354-3776}, doi = {10.1517/13543770903338768}, author = {Sudhir, Pore Vandana and Ranan, Deshpande Sunita and Ganpat, Aher Nilkanth} } @article { ISI:000285081400018, title = {Assessment of Pongamia pinnata (L.) - a biodiesel producing tree species using ISSR markers}, journal = {Current Science}, volume = {99}, number = {10}, year = {2010}, month = {NOV}, pages = {1327-1329}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Sujatha, K. and Rajwade, A. V. and Gupta, V. S. and Hazra, Sulekha} } @article {42799, title = {Beaded cross linked polymers containing tert-amino functional group moities}, number = {2537/DEL}, year = {2010}, month = {DEC}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000277581100043, title = {Biocatalytic approach for the utilization of hemicellulose for ethanol production from agricultural residue using thermostable xylanase and thermotolerant yeast}, journal = {Bioresource Technology}, volume = {101}, number = {14}, year = {2010}, month = {JUL}, pages = {5366-5373}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A hydrolysis of 62\% and 50\% for OSX (Oat spelt xylan) and WBH (Wheat bran hemicellulose) were obtained in 36 h and 48 h using Accellerase(TM) 1000 at 50 degrees C wherein thermostable xylanase from alkalothermophilic Thermomonospora sp. yielded 67\% (OSX) in 3 h and 58\% (WBH) in 24 h at 60 degrees C, favouring a reduction in process time and enzyme dosage. The rate of hydrolysis with thermostable xylanase was increased by 20\% with the addition of nonionic surfactant tween 80 or biosurfactant sophorolipid. The simultaneous saccharification and fermentation (SSF) of OSX and WBH using thermostable xylanase and D. hansenii in batch cultures produced 9.1 g/L and 9.5 g/L of ethanol, respectively and had a shorter overall process time than the separate hydrolysis and fermentation (SHF). The immobilized yeast cells in Ca-alginate matrix produced ethanol with a yield of 0.46 g/g from hemicellulosic hydrolysates and were reused six times with 100\% fermentation efficiency. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Biosurfactant, Ethanol, Hemicellulose, Thermostable xylanase, Thermotolerant yeast}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.01.150}, author = {Menon, Vishnu and Prakash, Gyan and Prabhune, Asmita and Rao, Mala} } @article { ISI:000280708400025, title = {CDASE-A reliable scheme to explain the reactivity sequence between Diels-Alder pairs}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {32}, year = {2010}, month = {JUL}, pages = {9328-9338}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The reliability of the Comprehensive Decomposition Analysis of Stabilization Energy (CDASE) scheme, proposed recently (Phys. Chem. Chem. Phys., 2009, 11, 8306), has been demonstrated in the present study. Reactivity sequence among more than 100 pairs, taking part in Diels-Alder (DA) reaction, is successfully generated by this scheme. The diene series consisted mainly of cis-1,3-butadiene and different substituted butadienes whereas dienophiles are mainly ethylene and its different substitutions. Both the positive energy component (i.e., the energy parameter defined as {\textquoteleft}internal assistance{\textquoteright}) and the negative energy component could generate the expected reactivity trend among the chosen DA pairs, which is also supported by the global electrophilicities of dienes and dienophiles and the corresponding charge-transfer values (Delta N). The numerical values of these components are capable of predicting even the {\textquoteleft}normal electron demand{\textquoteright} (NED) and {\textquoteleft}inverse electron demand{\textquoteright} (IED) nature of the corresponding DA reaction. The method is also capable of reproducing the lower reactivity of acetylene as dienophile when compared to that of ethylene. The reason for the success of CDASE-scheme in explaining intermolecular reactivity sequence is also analysed.

}, issn = {1463-9076}, doi = {10.1039/b925441b}, author = {Saha, Soumen and Roy, Ram Kinkar and Pal, Sourav} } @conference { ISI:000279938400012, title = {Chemical shielding of closed-shell molecules using extended coupled-cluster theory}, 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 = {MAR}, pages = {111-121}, publisher = {Springer}, organization = {Springer}, address = {233 Spring Street, New York, NY 10013, United States}, abstract = {

In this paper we report calculation of the nuclear magnetic shielding constant using extended coupled cluster response approach. We present the results for the HF, BH, CO and N(2) molecules. These results show importance of correlation corrections for the shielding constant.

}, isbn = {978-3-642-10321-6}, issn = {1570-6591}, doi = {10.1007/978-3-642-10322-3_12}, author = {Ravichandran, Lalitha and Joshi, Sayali and Vaval, Nayana}, editor = {Chaudhuri, R. K. and Mekkaden, M. V. and Raveendran, A. V. and Narayanan, A. S.} } @article { ISI:000279322700048, title = {Co(III)(salen)-catalyzed HKR of two stereocentered alkoxy- and azido epoxides: a concise enantioselective synthesis of (S,S)-reboxetine and (+)-epi-cytoxazone}, journal = {Chemical Communications}, volume = {46}, number = {27}, year = {2010}, month = {JUN}, pages = {5012-5014}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The HKR of racemic syn- or anti- alkoxy- and azido epoxides catalyzed by Co(salen) complex affords a practical access to a series of enantioenriched syn- or anti- alkoxy- and azido epoxides and the corresponding 1,2-diols. This strategy has been successfully employed in the concise, enantioselective synthesis of bioactive molecules such as (S, S)-reboxetine and (+)-epi-cytoxazone.

}, issn = {1359-7345}, doi = {10.1039/c0cc00650e}, author = {Reddy, R. Santhosh and Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Chavan, Vilas B. and Sudalai, Arumugam} } @article { ISI:000284515800005, title = {Combined experimental and density functional theory study on the Pd-mediated cycloisomerization of o-alkynylnitrobenzenes - synthesis of isatogens and their evaluation as modulators of ROS-mediated cell death}, journal = {European Journal of Organic Chemistry}, number = {31}, year = {2010}, month = {NOV}, pages = {5955-5966}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Highly selective cycloisomerization of o-alkynylnitrobenzenes, leading to isatogens, has been achieved by employment of a Pd-II complex. This reaction is very general and functional-group-tolerant. The possible mechanism of this reaction was investigated with the help of DFT calculations. Three possible pathways - namely, the addition of the nitro group either in (i) 5-exo-dig or (ii) 6-endo-dig mode and (iii) halopalladation - and subsequent intramolecular events have been considered and studied in detail. These investigations revealed that pathway (i) is the favored route to isatogen formation. A preliminary screening of the available isatogens reveals the 2-alkylisatogens to be novel ROS scavengers capable of inhibiting cellular necroptosis.

}, keywords = {Anthranil, cyclization, Density functional calculations, isatogens, Nitro-alkyne cycloisomerization, Palladium}, issn = {1434-193X}, doi = {10.1002/ejoc.201000769}, author = {Ramana, Chepuri V. and Patel, Pitambar and Vanka, Kumar and Miao, Benchun and Degterev, Alexei} } @article { ISI:000276973200011, title = {Continuous flow synthesis of functionalized silver nanoparticles using bifunctional biosurfactants}, journal = {Green Chemistry}, volume = {12}, number = {4}, year = {2010}, month = {APR}, pages = {609-615}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silver nanoparticles were synthesized by continuous flow methods using biosurfactants, namely, oleic acid sophorolipid (OASL) and stearic acid sophorolipid (SASL). Both the sophorolipids can act as reducing and capping agents. The effect of temperature on the completion of nanoparticle formation and the particle growth dynamics (size) were studied in batch mode. While the completion of the reaction using oleic acid sophorolipid needed 20 min, only 5 min were required with the stearic acid sophorolipid as capping and reducing agent. Hence all the continuous flow experiments were carried out using the stearic acid sophorolipid. The continuous flow synthesis of silver nanoparticles was carried out in a stainless steel helical coil and also in a spiral polymeric minichannel reactor. The DLS results show that higher flow rate leads to the formation of bigger and polydisperse particles because of incomplete reactions. Higher residence time allowed the completion of reaction leading to spherical, small and monodisperse particles.

}, issn = {1463-9262}, doi = {10.1039/b919550e}, author = {Kumar, D. V. Ravi and Kasture, Manasi and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad and Kulkarni, A. A.} } @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:000275769700022, title = {Crystal structure, NMR and theoretical investigations on 2-(o-hydroxy-anilino)-1,4-napthoquinone}, journal = {Journal of Molecular Structure}, volume = {966}, number = {1-3}, year = {2010}, month = {MAR}, pages = {144-151}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {(1)H NMR, cyclic voltammetry, Density functional, hydrogen bonding, Napthoquinone}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.12.029}, author = {Feizi, Nourollah and Pinjari, Rahul V. and Gejji, Shridhar P. and Sayyed, Fareed B. and Gonnade, Rajesh G. and Rane, Sandhya Y.} } @article { ISI:000275090400021, title = {Cu:Al Nano catalyst for selective hydrogenolysis of glycerol to 1,2-propanediol}, journal = {Catalysis Letters}, volume = {135}, number = {1-2}, year = {2010}, month = {MAR}, pages = {141-147}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

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

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

}, keywords = {Anilines, Azide reduction, Cu(II)-ascorbate redox system, SNAr reaction, Thioether}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.07.032}, author = {Goriya, Yogesh and Ramana, C. V.} } @article { ISI:000274207800015, title = {Cytotoxic and genotoxic assessment of glycolipid-reduced and -capped gold and silver nanoparticles}, journal = {New Journal of Chemistry}, volume = {34}, number = {2}, year = {2010}, month = {NOV}, pages = {294-301}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A systematic cytotoxic and genotoxic evaluation of glycolipid-conjugated silver and gold nanoparticles is carried out. These glycolipid nanoparticle conjugates are obtained by exploiting the reductive capability of a class of glycolipids called sophorolipids that play the role of capping agent as well. Further, when tested for their cytotoxicity and genotoxicity on HepG2 cells, these nanoparticles are found to be cytocompatible up to 100 mu M metal concentrations. Of the two metallic systems investigated, gold nanoparticles are found to be more cytocompatible than the same concentrations of silver nanoparticles. Similarly, it is also demonstrated that at 100 mu M, silver nanoparticles cause more DNA damage compared to gold nanoparticles of similar concentrations.

}, issn = {1144-0546}, doi = {10.1039/b9nj00277d}, author = {Singh, Sanjay and D{\textquoteright}Britto, Virginia and Prabhune, Asmita and Ramana, C. V. and Dhawan, Alok and Bhagavatula L. V. Prasad} } @conference { ISI:000287122200023, title = {Dynamic modeling of hydro- formylation of 1-decene on Rh/C catalyst in bubble colunm slurry reactor}, booktitle = {International Conference on Modeling, Optimization, and Computing}, series = {AIP Conference Proceedings}, volume = {1298}, year = {2010}, note = {International Conference on Modeling, Optimization, and Computing, Durgapur, INDIA, OCT 28-30, 2010}, month = {OCT}, pages = {143-150}, publisher = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, organization = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

A dynamic model has been developed for the bubble column slurry reactor operating under non-isothermal conditions. The model consists of mass and heat balance equations for the gas and liquid phases and the catalyst particle. The model equations consisted of partial differential equations (PDE) which were converted to ordinary differential equations (ODE) by using finite difference relationships for the spatial derivatives and the ordinary differential equations for the time derivatives (Numerical Method of Lines-NMoL). The model was applied to describe the dynamic behaviour of bubble column slurry reactor during the hydroformylation of 1-decene on Rh/C catalyst. Model simulations were performed to obtain a meaningful path to steady state and to reproduce the other characteristics of the dynamic behaviour of the reactor. Under given conditions, the reaction required approximately 3750 seconds to reach the steady state concentrations at various reactor positions. It was observed with increase in the fluid velocities, the dynamics of the system was altered to 2500 seconds to reach the steady state condition. The effect of axial dispersion on the substrate concentration and the temperature rise along the reactor was further studied and discussed.

}, keywords = {axial dispersion, bubble column slurry reactor, Dynamic modeling, method of line, PDE solutions}, isbn = {978-0-7354-0854-8}, issn = {0094-243X}, doi = {10.1063/1.3516292}, author = {Upkare, Makarand M. and Rajurkar, Kalpendra B. and Das, Samir K. and Jaganathan, Rengaswamy}, editor = {Paruya, S. and Kar, S. and Roy, S.} } @article { ISI:000273038200015, title = {Effect of the allylic substituents on ring closing metathesis: the total synthesis of stagonolide B and 4-epi-stagonolide B}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {2}, year = {2010}, month = {OCT}, pages = {398-406}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1477-0520}, doi = {10.1039/b916198h}, author = {Giri, Awadut G. and Mondal, Mohabul A. and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article {43206, title = {Efficient synthesis of varenicline}, journal = {Tetrahedron Letters}, volume = {51}, year = {2010}, month = {JAN}, pages = {151-152}, abstract = {Synthesis of varenicline the antismoking drug has been achieved in six steps with 10\% overall yield. A Diels-Alder reaction, oxidative cleavage of an olefin and reductive amination remain as key steps in the synthesis (C) 2009 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2009.10.107}, author = {Pasikanti, Srinivas and Reddy, D. Srinivasa and Venkatesham, B. and Dubey, P. K. and Iqbal, Javed and Das, Parthasarathi} } @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:000282471100001, title = {Enhancement of thermal stability and phase relaxation behavior of chitosan dissolved in aqueous l-lactic acid: using {\textquoteleft}silver nanoparticles{\textquoteright} as nano filler}, journal = {Macromolecular Research}, volume = {18}, number = {8}, year = {2010}, month = {AUG}, pages = {713-720}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Chitosan films with various compositions of silver nanoparticles were prepared by solution casting with an aqueous solution of chitosan and l-lactic acid. The chitosan/Ag nanocomposites were characterized by wide angle Xray diffraction (WAXD) and UV-vis spectroscopy. An analysis of the surface topography and size of the Ag nanoparticles (\<= 100 nm) were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM), respectively. Thermogravimetric analysis (TGA/DTA) confirmed the increase in thermal stability with increasing Ag nanoparticle content in the nanocomposites. Dynamic thermal analysis (DMA) was used to examine the phase relaxation behavior of chitosan and its nanocomposites. The conductivity of chitosan/Ag nanocomposites was considered with respect to the frequency. Contact angle measurements were used to characterize the surface twistability, surface cleanliness, and hydrophilic/hydrophobic nature of the surface.

}, keywords = {Chitosan, conductivity, contact angle, relaxation, silver nanoparticles}, issn = {1598-5032}, doi = {10.1007/s13233-010-0801-9}, author = {Rana, V. K. and Pandey, Asutosh K. and Singh, Raj Pal and Kumar, B. and Mishra, Satyendra and Ha, Chang-Sik} } @article { ISI:000280972500010, title = {Enzymatic hydrolysis and ethanol production using xyloglucanase and debaromyces hansenii from tamarind kernel powder: galactoxyloglucan predominant hemicellulose}, journal = {Journal of Biotechnology}, volume = {148}, number = {4}, year = {2010}, month = {AUG}, pages = {233-239}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The hydrolysis and ethanol production from tamarind kernel powder (TKP), a rich source of galactoxyloglucan (GXG) was investigated for the first time using xyloglucanase and thermotolerant Debaromyces hansenii. The acid hydrolysis of TKP with 2N H(2)SO(4) at 120 degrees C for 30 min yielded an overall saccharification of 94\% based on the total available carbohydrate content and further fermentation at 40 degrees C with thermotolerant D hansenii produced an ethanol yield of 0.35 g/g. A maximum hydrolysis of 55 and 78\% for GXG was obtained in 48 h at 50 degrees C using Thermomonospora xyloglucanase (TXy) and accellerase (TM) 1000, respectively. The synergistic effect of beta-galactosidase and xyloglucanase was demonstrated by the exogenous addition of beta-galactosidase to TXy which improved the overall hydrolysis of GXG by 30\%. The rate of hydrolysis of GXG with TXy and accellerase was increased by 15-20\% in the presence of chemical surfactants (tween 80 and toluene) or protein additive (BSA). The fermentation of enzymatic hydrolysates of GXG by TXy and accellerase with free cells at 40 degrees C produced an ethanol yield of 0.39 and 0.41 g/g whereas with immobilized cells produced 0.45 and 0.43 g/g, respectively, with a theoretical conversion efficiencies of 78-88\%. The immobilized yeast cells were reused six times at 40 degrees C with 100\% fermentation efficiency. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Ethanol, Galactoxyloglucan, Hydrolysis, Tamarind kernel powder, Thermotolerant yeast, Xyloglucanase}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2010.06.004}, author = {Menon, Vishnu and Prakash, Gyan and Rao, Mala} } @article { ISI:000280463000017, title = {Exfoliation of clay layers in polypropylene matrix using potassium succinate-g-polypropylene as compatibilizer}, journal = {Composites Science and Technology}, volume = {70}, number = {10}, year = {2010}, month = {SEP}, pages = {1550-1556}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The efficiency of potassium succinate-g-polypropylene (KPPSA) as compatibilizer for the dispersion of clay in a high molecular weight polypropylene during melt mixing for the preparation of nanocomposites was evaluated and compared with maleic anhydride-g-polypropylene (PPMA). Nanocomposites were prepared by direct melt mixing and by masterbatch methods and the structure obtained was characterized by WAXD and TEM. The exfoliation and better dispersion of the organoclay was observed with KPPSA than PPMA. The dispersion of clay was found to be dependent on the method of preparation, type and the amount of compatibilizer used. The dispersion was better when the nanocomposites were prepared by two step masterbatch route than the single step direct mixing method. Flexural moduli and crystallization behavior were studied and correlated with the dispersion of organoclay in the PP matrix. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {differential scanning calorimetry, Mechanical property, Nano composites, Nanoclays, polypropylene}, issn = {0266-3538}, doi = {10.1016/j.compscitech.2010.05.021}, author = {Rama, Mallikarjuna Shroff and Neppalli, Ramesh and Chellaswamy, Ramesh and Swaminathan, Sivaram} } @article { ISI:000285370100022, title = {Facile enantioselective synthesis of (S)-N-(5-chlorothiophene-2-sulfonyl)-beta,beta-diethylalaninol via proline-catalyzed asymmetric alpha-aminooxylation and alpha-amination of aldehyde}, journal = {Tetrahedron Letters}, volume = {51}, number = {50}, year = {2010}, month = {DEC}, pages = {6565-6567}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A high-yielding enantioselective synthesis of the bioactive (S)-N-(5-chlorothiophene-2-sulfonyl)beta,beta-diethylalaninol (1), a Notch-1-sparing gamma-secretase inhibitor metabolite (with EC50 = 28 nM) effective in reduction of All production in vivo, has been realized starting from readily available 3-pentanone. The key steps of the synthesis are proline-catalyzed alpha-aminooxylation and alpha-amination of aldehyde: the latter contributing an overall yield of 45.2\% and 98\% ee. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Amination, alpha-Aminooxylation, Alzheimer{\textquoteright}s disease, Amino alcohol, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.029}, author = {Rawat, Varun and Chouthaiwale, Pandurang V. and Chavan, Vilas B. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000279939100026, title = {H-beta zeolite: an efficient, reusable catalyst for one-pot synthesis of isatins from anilines}, journal = {Acta Chimica Slovenica}, volume = {57}, number = {2}, year = {2010}, month = {JUN}, pages = {466-469}, publisher = {SLOVENSKO KEMIJSKO DRUSTVO}, address = {HAJDRIHOVA 19, LJUBLJANA 1000, SLOVENIA}, abstract = {

We describe a simple and highly efficient procedure for the single-step preparation of isatins from the commercially available anilines using H-beta zeolite as a truly heterogeneous catalyst. H-beta zeolite is readily separated from reaction mixture by simple filtration and reused several times without considerable loss of activity.

}, keywords = {Anilines, H-beta zeolite, heterogeneous catalyst, isatins}, issn = {1318-0207}, author = {Raj, I. Victor Paul and Shaikh, Tanveer Mahamadali and Sudalai, Arumugam} } @article { ISI:000284443200005, title = {Hydrogen evolution by a low cost photocatalyst: bauxite residue}, journal = {International Journal of Hydrogen Energy}, volume = {35}, number = {20, SI}, year = {2010}, month = {OCT}, pages = {10859-10866}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Bauxite residue or red mud which is an aluminium industry waste has been used as a novel low cost photocatalyst active in visible light for the generation of hydrogen from water. The driving force behind the use of bauxite residue as a photocatalyst is not only the fact that it is widely available but also bauxite residue is a fine grained mixture of oxides and hydroxides (Fe(2)O(3), TiO(2), SiO(2), and Al(2)O(3), Al(OH)3). The photocatalyst was characterized with respect to BET-SA, UV-DRS, XRD, SEM and EDX. Hydrogen yield of 4600 mu mol/h/g of TiO(2) was achieved as compared to hydrogen evolution rate of 164 mu mol/h/g of TiO(2) for commercially available titania Degussa P-25. However, the hydrogen evolution was 20.85 mu mol/h/g of photocatalyst. The results suggest that bauxite residue appears to be a novel low cost photocatalyst. The various operating conditions of photocatalytic hydrogen generation were studied which include amount of catalyst, illumination intensity, illumination time, effect of various sacrificial donors etc. (C) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Aluminium industry waste, Bauxite residue, Hydrogen generation, Red mud, Sacrificial donors}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2009.10.075}, author = {Mangrulkar, Priti A. and Joshi, Meenal V. and Kamble, Sanjay P. and Labhsetwar, Nitin K. and Rayalu, Sadhana S.} } @article { ISI:000275524800024, title = {Hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-methylphenol) using Sn/Si-MCM-41 catalysts}, journal = {Chemistry Letters}, volume = {39}, number = {2}, year = {2010}, month = {FEB}, pages = {126-127}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Sn/Si-MCM-41 has exhibited an excellent catalytic activity [70\% product yield with 88\% selectivity to 2,2{\textquoteright}-methylenebis(4-methylphenol)] for the selective hydroxyalkylation of p-cresol. At equal level of Sn loading, Sn/Si-MCM-41 prepared by direct hydrothermal synthesis showed higher activity than Sn-impregnated Si-MCM-41 catalyst.

}, issn = {0366-7022}, doi = {10.1246/cl.2010.126}, author = {Garade, Ajit C. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Rode, Chandrashekhar V.} } @article { ISI:000283104700004, title = {Hysteresis in cloud heights during solid suspension in stirred tank reactor: experiments and CFD simulations}, journal = {Aiche Journal}, volume = {56}, number = {11}, year = {2010}, month = {NOV}, pages = {2795-2804}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Solid suspension in stirred tank reactor is widely used in process industries for catalytic reactions, dissolution of solids, crystallization, and so on. Suspension quality is a key issue in design and operation of stirred reactor and its determination is not straight forward. Cloud height measurements of solid suspension provide a relatively simple way to quantify quality of suspension. In this work, experiments were carried out to quantify variation of cloud heights with impeller speed and particle characteristics. These measurements were carried out using visual observations, image analysis, and ultrasound velocity profiler techniques. The obtained data demonstrated the existence of hysteresis in cloud heights with respect to impeller speed. Apart from possible applications in reducing power required for achieving desired solid suspension quality, the existence of hysteresis also provides a new way to evaluate computational fluid dynamics (CFD) simulations of solid liquid flows in stirred vessels. An attempt was made to capture observed hysteresis in cloud heights in CFD simulations. The simulated results were compared with the experimental data. The presented models and results (experimental and computational) will he useful for simulating complex solid liquid flows in stirred reactors. (C) 2010 American Institute of Chemical Engineers AIChE J, 56: 2795-2804, 2010

}, keywords = {CFD, hysteresis in cloud height, solid velocity profiles}, issn = {0001-1541}, doi = {10.1002/aic.12191}, author = {Sardeshpande, Madhavi V. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000273895500012, title = {Immobilized palladium nanoparticles catalyzed oxidative carbonylation of amines}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {3}, year = {2010}, note = {Joint 7th International Symposium on Catalysis in Multiphase Reactors (CAMURE-7)/6th International Symposium on Multifunctional Reactors (ISMR-6), Montreal, CANADA, AUG 23-26, 2009}, month = {FEB}, pages = {1027-1032}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic application of immobilized palladium nanoparticles for synthesis or ureas by oxidative carbonylation of amines has been investigated. This is the first report oil oxidative carbonylation of amines to ureas using immobilized palladium nanoparticles catalyst. The palladium nanoparticles were immobilized on a NaY zeolite support through 3-aminopropyl-trimethoxysilane (APTS) as anchoring agent. The [Pd]-APTS-Y catalyst along with NaI promoter showed high conversion and selectivity to the desired urea products over several amine compounds including ail example of an aliphatic amine precursor even at 333 K. The immobilized catalyst was easily separated and recycled several times without any loss of activity. The role of different solvents, iodide promoters, iodide to Pd ratio, concentration of substrates, and temperature on the overall yield of the reaction was also investigated.

}, issn = {0888-5885}, doi = {10.1021/ie9007024}, author = {Didgikar, Mahesh R. and Roy, Debdut and Gupte, Sunil P. and Joshi, Sunil S. and Chaudhari, Raghunath V.} } @article { ISI:000274929000006, title = {In situ encapsulation of pt nanoarchitectures of varying morphologies in mesoporous compounds}, journal = {Chemistry of Materials}, volume = {22}, number = {5}, year = {2010}, month = {MAR}, pages = {1633-1639}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanoparticle morphology could be engineered and fine-tuned based on a novel in situ template method Different shapes of platinum nanoparticles were obtained from very low concentrations of precursors and could be isolated exclusively inside the mesochannels of SBA-15 This was achieved by dispersing a platinum precursor in surfactant modified polymer to different extents and using these composite materials as templates for the formation of mesoporous silica [PtCl(6)](2-) interacts with the cationic headgroup of the surfactant and facilitates the isolation of precursors within the composite template leading to the formation of nanoparticles molded by the walls of the mesochannels when calcined When this [PtCl(6)](2-)-surfactant-polymer micelle composite is aged for different duration, Pt nanoparticles of various morphologies like spheroids, nano rugby balls, and nanorods are obtained

}, issn = {0897-4756}, doi = {10.1021/cm9036499}, author = {Prashar, Atul K. and Hodgkins, Robert P. and Chandran, Jima N. and Rajamohanan, P. R. and Devi, R. Nandini} } @article { ISI:000275328500024, title = {Increase in backbone mobility of the VTS1p-SAM domain on binding to SRE-RNA}, journal = {Journal of Molecular Biology}, volume = {396}, number = {3}, year = {2010}, month = {FEB}, pages = {732-746}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

The sterile alpha motif (SAM) domain of VTS1p, a posttranscriptional gene regulator, belongs to a family of SAM domains conserved from yeast to humans. Even though SAM domains were originally classified as protein-protein interaction domains, recently, it was shown that the yeast VTS1p-SAM and the SAM domain of its Drosophila homolog Smaug can specifically recognize RNA hairpins termed Smaug recognition element (SRE). Structural studies of the SRE-RNA complex of VTS1p-SAM revealed that the SAM domain primarily recognizes the shape of the RNA fold induced by the Watson-Crick base-pairing in the RNA pentaloop. Only the central G nucleotide is specifically recognized. The VTS1p-SAM domain recognizes SRE-RNAs with a CNGGN pentaloop where N is any nucleotide. The C1-G4 base pair in the wild type can be replaced by any pair of nucleotides that can form base pairs even though the binding affinity is greatest with a pyrimidine in position 1 and a purine in position 4. The interaction thus combines elements of sequence-specific and non-sequence-specific recognitions. The lack of structural rearrangements in either partner following binding is rather intriguing, suggesting that molecular dynamics may play an important role in imparting relaxed specificity with respect to the exact combination of nucleotides in the loop, except for the central nucleotide. In this work, we extend our previous studies of SRE-RNA interaction with VTS1p, by comparing the dynamics of the VTS1p-SAM domain both in its free form and when bound to SRE-RNA. The 1 5 N relaxation studies of backbone dynamics suggest the presence of a dynamic interaction interface, with residues associated with specific G3 recognition becoming more rigid on RNA binding while other regions attain increased flexibility. The results parallel the observations from our studies of dynamics changes in SRE-RNA upon binding to VTS1p-SAM and shows that molecular dynamics could play a crucial role in modulating binding affinity and possibly contribute to the free energy of the interaction through an entropy-driven mechanism. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {(15)N relaxation, NMR, protein-RNA interaction, SRE-RNA, VTS1p-SAM domain}, issn = {0022-2836}, doi = {10.1016/j.jmb.2009.12.004}, author = {Ravindranathan, Sapna and Oberstrass, Florian C. and Allain, Frederic H. T.} } @article { ISI:000281448900066, title = {Influence of structure of organic modifiers and polyurethane on the clay dispersion in nanocomposites via in situ polymerization}, journal = {Journal of Applied Polymer Science}, volume = {118}, number = {3}, year = {2010}, month = {NOV}, pages = {1774-1786}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Influence of polyurethane (PU) structure on the nature of PU/clay nanocomposite was studied using varying amounts of trimethylol propane (TMP) as branching agent. The effect of hydroxyl groups in the modifier of organoclays on the structure of PU/clay nanocomposites was studied. Nanocomposites were characterized using wide-angle X-ray diffraction measurements (WAXD) and transmission electron microscopy (TEM). The results show that formation of completely exfoliated and well dispersed polyurethane/clay nanocomposites via in situ polymerization, is facilitated by the presence of tethering groups on the clay surface and an ability to form branched and crosslinked structures. Incorporation of long alkyl chains in addition to tethering hydroxyl groups in the modifier structure of the clay did not significantly improve the compatibility of linear PU with the clay. Intercalated thermoplastic polyurethane/clay nanocomposites, prepared using poly(caprolactone diol) as soft segment and isophorone diisocyanate and 1,4-butanediol as hard segments show increase in storage tensile moduli at temperatures before glass transition temperature when functional groups capable of chemically reacting with the growing polymer chains are present in the clay modifier. This is indicative of improved interaction of the polymer with the clay surface when the modifier has larger number of hydroxyl groups. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 118: 1774-1786, 2010

}, keywords = {intercalation and exfoliation, Nanocomposites, organoclay, polyurethane}, issn = {0021-8995}, doi = {10.1002/app.32500}, author = {Rama, Mallikarjuna Shroff and Swaminathan, Sivaram} } @article { ISI:000276563100089, title = {Influence of surface hydrophobicity on the esterification of fatty acids over solid catalysts}, journal = {Energy \& Fuels}, volume = {24}, year = {2010}, month = {MAR}, pages = {2154-2161}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The relative roles of surface acidity and hydrophobicity in the methylation of fatty acids (C(8) - C(18)) to the corresponding methyl esters were investigated over three solid acid catalysts: Fe-Zn double-metal cyanide (DMC), sulfated zirconia (SZ), and Al-MCM-41. The esterification reaction was faster and the apparent activation energy was lower over SZ and Al-MCM-41 than on DMC because of their higher acid strength, specific surface area, and pore diameter. Over SZ and Al-MCM-41, the apparent activation energy for esterification increased with the chain length of the fatty acid. A reverse trend, however, was observed over DMC. The relative adsorption of methanol and fatty acids (compared to water) was higher on DMC than on SZ and Al-MCM-41. Hence, in addition to the acidic and textural properties, surface hydrophobicity and relative surface coverage by reactants/products also play an important role in reactions of long-chain fatty acids with alcohols on solid catalysts.

}, issn = {0887-0624}, doi = {10.1021/ef1001452}, author = {Satyarthi, Jitendra K. and Srinivas, Darbha and Ratnasamy, Paul} } @article { ISI:000275612000009, title = {Influence of zeolitic structure on photoreduction property and hydrogen evolution reaction}, journal = {International Journal of Hydrogen Energy}, volume = {35}, number = {5}, year = {2010}, month = {MAR}, pages = {1911-1920}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new photocatalytic material developed by supporting TiO(2) in combination with transition metal ion like cobalt and heteropolyacid (HPA) on the surface is facilitating enhanced photoreduction of water and methyl orange Zeolites being a solid acid play an important role in the electron transfer reaction, facilitated by the Lewis acid sites in the form of aluminium ions In the present work, four different zeolite matrices namely, NaY zeolite, ultrastable zeolite Y, beta zeolite and titanium silicate-1 have been used for the synthesis of new photocatalytic materials These materials have been evaluated for water splitting by an initial screening procedure using methyl orange photoreduction The photocatalyst containing Na Y has emerged as a potential photocatalyst with hydrogen evolution rate of 2730 mu mol/h/g of TiO(2) Hydrogen evolution was not observed for the composite photocatalysts synthesized using the other zeolite matrices It has been observed that physicochemical properties like Si/Al ratio, acidity and basicity of the zeolite support have a tremendous influence on the photoreduction property of these zeolite matrices (C) 2010 Professor T Nejat Veziroglu Published by Elsevier Ltd All rights reserved

}, keywords = {H(2) evolution, Lewis acidity, Si/Al ratio, water splitting, Zeolite structure}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2009.12.172}, author = {Chatti, Ravikrishna V. and Dubey, Nidhi and Joshi, Meenal V. and Labhsetwar, Nitin K. and Joshi, P. N. and Rayalu, Sadhana S.} } @article {42812, title = {Investigation of magnetic anisotropy in Co nanoparticles using ferromagnetic resonance technique}, journal = {Journal of Physics: Conference Series}, volume = {200}, year = {2010}, month = {JAN}, abstract = {

Using ferromagnetic resonance (FMR) technique, we have investigated the temperature dependence and angular dependence of line width and resonance magnetic field of Co nanoparticles capped with novel alkane carboxylic acids of varying chain lengths. The magnetic properties such as blocking temperature and anisotropy sensitively depend on the chain length as evidenced by the temperature dependence of line width. These results indicate that the magnetic properties of these samples are critically governed by the interparticle interactions which are decided by the chain length. The presence of anisotropy even up to very high temperature above the blocking temperature observed in these studies confirms the presence of inter-particle magnetic interactions as well as intra-particle exchange interaction between the core and shell regions as evidenced by our earlier ac susceptibility and transverse susceptibility measurements on similar system.

}, doi = {10.1088/1742-6596/200/7/072088}, author = {Sendilkumar, A. and Kasture, Manasi and Patel, Pitamber and Ramana, Chepuri V. and Bhagavatula L. V. Prasad and Srinath, S.} } @article { ISI:000280541800020, title = {Isochroman- and 1,3-dihydroisobenzofuran-annulation on carbohydrate templates via [2+2+2]-cyclotrimerization and synthesis of some tricyclic nucleosides}, journal = {Tetrahedron}, volume = {66}, number = {32}, year = {2010}, month = {AUG}, pages = {6085-6096}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of enantiopure tricyclic systems comprising isochroman or dihydroisobenzofuran units integrated with sugar templates has been documented. The alkyne cylotrimerization reaction has been employed with easily accessible sugar diynes for the key bicyclic ring construction and thus a provision to alter the functional groups on the newly formed aromatic rings. By selecting two representative trimerization products, we have synthesized the tricyclic nucleosides by simple synthetic manipulations. (c) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydroisobenzofuran, Dihydroisobenzopyran, Modified nucleosides, Vorbruggen reaction, [2+2+2] cyclotrimerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.06.011}, author = {Suryawanshi, Sharad B. and Dushing, Mangesh P. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000279787200004, title = {Isolation, structure, and functional elucidation of a modified pentapeptide, cysteine protease inhibitor (CPI-2081) from streptomyces species 2081 that exhibit inhibitory effect on cancer cell migration}, journal = {Journal of Medicinal Chemistry}, volume = {53}, number = {14}, year = {2010}, month = {JUL}, pages = {5121-5128}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cysteine proteases play an important role in cell migration and tumor metastasis. Therefore, their inhibitors are of colossal interest, having potential to be developed as effective antimetastatic drugs for tumor chemotherapy. Traditionally, secondary metabolites from streptomyces show a wide range of diversity with respect to their biological activity and chemical nature. In this article, we have described the characterization of small molecule cysteine protease inhibitor, CPI-2081 (compound 1), a mixture of two novel pentapeptides, compound 1a (736.71 Da), and compound 1b (842.78 Da), isolated from Streptomyces species NCIM2081, following solvent extraction and repeated HPLC based on C18 chemistry, and completely characterized using a variety of both ID and 2D NMR spectroscopy. Further, it was found that nanomolar concentration of compound 1 is able to inhibit papain hydrolytic activity. Also, compound 1 significantly inhibits tumor cell migration at sub cytotoxic concentration, indicating its remarkable potential to be developed as antimetastatic drug, which will make chemotherapy more localized and specific, thereby minimizing the hazardous side effects on normal tissues.

}, issn = {0022-2623}, doi = {10.1021/jm9014179}, author = {Singh, Jay Prakash and Tamang, Sudarsan and Rajamohanan, P. R. and Jima, N. C. and Chakraborty, Goutam and Kundu, Gopal C. and Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000281430800001, title = {Kinetic model of TBP auto-regulation exhibits bistability}, journal = {Biology Direct}, volume = {5}, year = {2010}, month = {AUG}, pages = {50}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: TATA Binding Protein (TBP) is required for transcription initiation by all three eukaryotic RNA polymerases. It participates in transcriptional initiation at the majority of eukaryotic gene promoters, either by direct association to the TATA box upstream of the transcription start site or by indirectly localizing to the promoter through other proteins. TBP exists in solution in a dimeric form but binds to DNA as a monomer. Here, we present the first mathematical model for auto-catalytic TBP expression and use it to study the role of dimerization in maintaining the steady state TBP level. Results: We show that the autogenous regulation of TBP results in a system that is capable of exhibiting three steady states: an unstable low TBP state, one stable state corresponding to a physiological TBP concentration, and another stable steady state corresponding to unviable cells where no TBP is expressed. Our model predicts that a basal level of TBP is required to establish the transcription of the TBP gene, and hence for cell viability. It also predicts that, for the condition corresponding to a typical mammalian cell, the high-TBP state and cell viability is sensitive to variation in DNA binding strength. We use the model to explore the effect of the dimer in buffering the response to changes in TBP levels, and show that for some physiological conditions the dimer is not important in buffering against perturbations. Conclusions: Results on the necessity of a minimum basal TBP level support the in vivo observations that TBP is maternally inherited, providing the small amount of TBP required to establish its ubiquitous expression. The model shows that the system is sensitive to variations in parameters indicating that it is vulnerable to mutations in TBP. A reduction in TBP-DNA binding constant can lead the system to a regime where the unviable state is the only steady state. Contrary to the current hypotheses, we show that under some physiological conditions the dimer is not very important in restoring the system to steady state. This model demonstrates the use of mathematical modelling to investigate system behaviour and generate hypotheses governing the dynamics of such nonlinear biological systems.

}, issn = {1745-6150}, doi = {10.1186/1745-6150-5-50}, author = {Gokhale, Sucheta A. and Roshan, Reema and Khetan, Vivek and Pillai, Beena and Gadgil, Chetan J.} } @article { ISI:000276206700037, title = {Kinetics of reductive alkylations of phenylenediamines: influence of substrates isomeric structure}, journal = {Chemical Engineering Science}, volume = {65}, number = {1, SI}, year = {2010}, note = {20th International Symposium on Chemical Reaction Engineering, Kyoto, JAPAN, SEP, 2008}, month = {JAN}, pages = {232-239}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Reductive alkylation of ortho-, meta- and para-phenylenediamines (PDAs) with methyl ethyl ketone (MEK) has been studied in a semi-batch slurry reactor in the presence of a commercial 3\% Pt/Al(2)O(3) catalyst. It was observed that the PDA isomers differ remarkably from each other in their activity in reductive alkylation and product distribution. The activity was found to decrease in the following order: PPDA \> OPDA \> MPDA. To understand the substrate structure-activity correlation, the homogeneous equilibrium reactions involved in the alkylation step and the overall catalytic reactions were studied separately. Kinetics of reductive alkylation of PDAs with MEK as a solvent and alkylating agent with 3\% Pt/Al(2)O(3) catalyst was studied in a semi-batch slurry reactor over a temperature range of 373-453K and pressure range of 2.07-6.21 MPa. Semi-batch slurry reactor models were developed and kinetic parameters were estimated by fitting the integral batch reactor data at different temperatures to understand the influence of different reaction steps on the activity and selectivity of different products. Published by Elsevier Ltd.

}, keywords = {Batch, catalysis, kinetics, Multiphase reactions, Phenylenediamines, Reaction engineering, Reductive alkylation}, issn = {0009-2509}, doi = {10.1016/j.ces.2009.06.065}, author = {Roy, Debdut and Chaudhari, Amit S. and Chaudhari, Raghunath V.} } @conference { ISI:000287122200024, title = {Mathematical modeling and simulation of bubble column reactor for aerial liquid phase cyclohexane oxidation}, booktitle = {International Conference on Modeling, Optimization, and Computing}, series = {AIP Conference Proceedings}, volume = {1298}, year = {2010}, note = {International Conference on Modeling, Optimization, and Computing, Durgapur, INDIA, OCT 28-30, 2010}, month = {OCT}, pages = {151-159}, publisher = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, organization = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, address = {2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USA}, abstract = {

Cyclohexane oxidation is an important but complex commercial reaction, wherein the desired product, K-A oil appears as an intermediates of the reaction sequence. A mathematical model has been developed for the bubble column reactor operating under isothermal conditions. The mass and energy model equations consisted of stiff ODEs. The model was applied to describe the behavior of bubble column reactor for aerial liquid phase cyclohexane oxidation. Effect of initial substrate concentration, catalyst loading and temperature was studied and discussed in detail. Conclusions were presented at the end of the study.

}, keywords = {K-A Oil Selectivity, Mathematical modeling, substrate conversion and product yield analysis}, isbn = {978-0-7354-0854-8}, issn = {0094-243X}, doi = {10.1063/1.3516293}, author = {Upkare, Makarand M. and Rajurkar, Kalpendra B. and Gupta, Pankaj R. and Jaganathan, Rengaswamy}, editor = {Paruya, S. and Kar, S. and Roy, S} } @article { ISI:000277280500019, title = {Measurements and molecular interactions for N,N-dimethylformamide with ionic liquid mixed solvents}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {18}, year = {2010}, month = {MAY}, pages = {6126-6133}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

To understand the molecular interactions between N,N-dimethylformamide (DMF) with two families of ionic liquids (ILs), we have measured thermophysical properties such as densities (rho) and ultrasonic sound velocities (a) over the whole composition range at 25 degrees C under atmospheric pressure. The excess molar volume (V(E)) and the deviation in isentropic compressibilities (Delta K(s)) were predicted using these properties as a function of the concentration of IL. These results are fitted to the Redlich-Kister polynomials. The materials investigated in the present study included two families of ILs such as ammonium salts and imidazolium salts. Diethylammonium acetate ([Et(2)NH][CH(3)COO], DEAA), triethylammonium actetate ([Et(3)NH][CH(3)COO], TEAA), triethylammonium dihydogen phosphate ([Et(3)NH][H(2)PO(4)], TEAP), and triethylammonium sulfate ([Et(3)NH][HSO(4)], TEAS) are ammonium salts and l-benzy1-3-methylimidazolium chloride (Bmiml[Cl]) belongs to the imidazolium family. The intermolecular interactions and structural effects were analyzed on the basis of the measured and the derived properties. A qualitative analysis of the results is discussed in terms of the ion dipole, ion-pair interactions, and hydrogen bonding between ILs and DMF molecules and their structural factors.

}, issn = {1520-6106}, doi = {10.1021/jp101209}, author = {Attri, Pankaj and Reddy, P. Madhusudan and Venkatesu, P. and Kumar, Anil and Hofman, T.} } @article { ISI:000283204900015, title = {Micro-/meso-porous stannosilicate composites (Sn-MFI/MCM-41) via two-step crystallization process: process parameter-phase relationship}, journal = {Microporous and Mesoporous Materials}, volume = {136}, number = {1-3}, year = {2010}, month = {DEC}, pages = {115-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sn-MFI/MCM-41 composite material was successfully synthesized by monitoring the re-crystallization time in a simple two-step crystallization process. The length of period allowed for the recrystallization of the precursor species was found to be a controlling factor to achieve either the end members viz. Sn-MCM-41 and Sn-MFI or Sn-MFI/MCM-41 composite material. Powder XRD, FTIR, SEM, TEM, nitrogen sorption measurement, DRUV-vis and hydroxyalkylation of p-cresol reaction were used as the characterization tools. Attempts were also made to establish the relationship between type of phase formed and the process parameters such as aging time, re-crystallization temperature, time and molar ratios of TPAOH/SiO(2), CTMABr/SiO(2) and SiO(2)/SnO(2) in the gel. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {composites, Crystallization, Micro-/meso-porous stannosilicate, p-Cresol hydroxyalkylation, Sn-MCM-41, Sn-MFI}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.08.005}, author = {Niphadkar, Prashant S. and Garade, Ajit C. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V. and Joshi, Praphulla N.} } @article {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:000273066200048, title = {Modular total synthesis of aculeatins A, B, E, F and 6-epi-aculeatins E, F}, journal = {Tetrahedron}, volume = {66}, number = {1}, year = {2010}, month = {JAN}, pages = {390-399}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The total synthesis of aculeatins A, B. E and F confirming the assigned absolute configuration of recently isolated aculeatins E and F is documented. A convergent approach has been designed by the addition of both the terminal units (phenol and side chain) at an advanced stage. The central 1,3,5-triol unit with the requisite stereochemistry was prepared from the commercially available alpha-D-glucoheptonic-gamma-lactone. Selective O-debenzylation during the hydrogenolysis of the diyne intermediate and the one pot phenolic oxidation with concomitant spiroketalization highlight the accomplished total syntheses. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {aculeatins, Alkyne-oxirane coupling, Natural products synthesis, Oxidative spiroketalization, Sonogashira coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.10.058}, author = {Ramana, C. V. and Pandey, Sunil Kumar} } @article { ISI:000274375500003, title = {Molecular cloning, over expression, and activity studies of a peptidic HIV-1 protease inhibitor: designed synthetic gene to functional recombinant peptide}, journal = {Peptides}, volume = {31}, number = {1}, year = {2010}, month = {JAN}, pages = {16-21}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

The aspartic protease inhibitor (ATBI) purified from a Bacillus sp. is a potent inhibitor of several proteases including recombinant HIV-1 protease, pepsin, and fungal aspartic protease. In this study, we report the cloning, and over expression of a synthetic gene coding for ATBI in Escherichia coli and establish a purification Protocol. The ATBI molecule consists of eleven amino acids and is peptidic in nature. We used the peptide sequence data of ATBI to synthesize complementary oligonucleotides, which were annealed and subsequently cloned in-frame with the gene for glutathione-S-transferase (GST). The expression of the resulting fusion protein was induced in E. coli BL21-A1 cells using arabinose. The recombinant peptide was Purified using a reduced glutathione column, and cleaved with Factor Xa to remove the GST tag. The resultant product was further purified to homogeneity using RP-HPLC. Mass spectroscopy analysis revealed that the purified peptide had a molecular weight of 1186 Da which matches the theoretical molecular weight of the amino acids present in the synthetic gene. The recombinant peptide was found to be active in vitro against HIV-1 protease, pepsin, and fungal aspartic protease. The protocol described in this study may be used to clone pharmaceutically important peptide molecules. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Gateway cloning, HIV-1 protease, inhibitor, Proteases, Synthetic gene}, issn = {0196-9781}, doi = {10.1016/j.peptides.2009.09.034}, author = {Vathipadiekal, Vinod and Umasankar, Perunthottathu K. and Patole, Milind S. and Rao, Mala} } @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 {42578, title = {Near-IR activity of hybrid solar cells: enhancement of efficiency by dissociating excitons generated in PbS nanoparticles}, journal = {Applied Physics Letters}, volume = {96}, year = {2010}, month = {FEB}, pages = {Article no: 073505}, abstract = {

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

}, doi = {10.1063/1.3292183}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI: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 { ISI:000276374700004, title = {Novel bifunctional peptidic aspartic protease inhibitor inhibits chitinase A from Serratia marcescens: kinetic analysis of inhibition and binding affinity}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1800}, number = {5}, year = {2010}, month = {MAY}, pages = {526-536}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Aspartic protease inhibitor, Bacillus licheniformis, Chitinase A, Enzyme kinetics, Slow tight binding inhibition}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2010.01.014}, author = {Kumar, Ajit and Rao, Mala} } @article { ISI:000276963200003, title = {Novel synthesis and characterization of titanium superoxide and its application in organic oxidative processes}, journal = {Catalysis Surveys from Asia}, volume = {14}, number = {1}, year = {2010}, month = {MAR}, pages = {21-32}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel, exceptionally stable titanium superoxide radical ion was prepared and its structure determined by FTIR, ESR, Raman spectroscopy, X-ray diffraction, thermogravimetric/differential thermal analysis and elemental analysis. This heterogeneous catalyst has been found to be effective for the selective oxidation of aromatic amines and phenols to the corresponding nitro aromatics and p-quinones, respectively. In addition, this non-toxic, inexpensive and reusable catalyst has also been used in aminobromination of olefins, which proceed to give the 1, 2-bromoaminated anti-Markovnikov product. A brief account of these results is summarized in this review.

}, keywords = {Amino Bromination, Anti-Markovnikov, heterogeneous catalyst, Oxidation, Titanium superoxide}, issn = {1571-1013}, doi = {10.1007/s10563-010-9085-5}, author = {Reddy, R. Santhosh and Shaikh, Tanveer Mahamadali and Rawat, Varun and Karabal, Pratibha U. and Dewkar, Gajanan and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000275170800011, title = {One-pot synthesis of oleic acid-capped cadmium chalcogenides (CdE: E = Se, Te) nano-crystals}, journal = {Journal of Nanoparticle Research}, volume = {12}, number = {1, SI}, year = {2010}, month = {JAN}, pages = {101-109}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Surface-capped CdSe and CdTe nano-crystals (NCs) have been synthesized using cadmium acetate, oleic acid and respective tri-octylphosphine chalcogenide (TOPE; E = Se/Te) in diphenyl ether (DPE). Well-dispersed CdSe particles showed two absorption bands at the region of 431-34 and 458-60 nm in optical absorption study. A band-edge emission resulted at 515 nm with an excitation energy of 400 nm, in its photoluminescence (PL) spectrum. Similarly, UV-visible absorption study of CdTe revealed an absorption band at \< 700 nm. The broadened X-ray diffraction (XRD) pattern showed that at higher reaction temperature cubic CdSe but hexagonal CdTe can be obtained with crystallite size of \< 10 nm. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that agglomerated particles are of spherical nature. The inter-planar spacing in CdTe was measured to be 0.406 nm, a characteristic of (100) lattice plane in hexagonal CdTe. X-ray photoelectron spectroscopy (XPS) showed that CdSe NCs have better air stability stable than CdTe. Presence of organic moiety around the semiconductor particles was confirmed by infrared (IR) spectroscopy.

}, keywords = {Chemical synthesis, photoluminescence, Semiconductors, Surface capping}, issn = {1388-0764}, doi = {10.1007/s11051-008-9581-y}, author = {Khanna, P. K. and Rao, K. Srinivasa and Patil, K. R. and Singh, V. N. and Mehta, B. R.} } @article { ISI:000285797300007, title = {Oxidation of propane to acrylic acid and acetic acid over alkaline earth-doped Mo-V-Sb-O-x catalysts}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {6}, year = {2010}, month = {NOV}, pages = {593-599}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Alkaline earth metal (Mg, Ca, Sr and Ba)-doped Mo-V-Sb-O-x catalysts, prepared by a dry-up method, have been investigated for their catalytic performance in the oxidation of propane under different reaction conditions. The catalysts have been characterized by N-2 adsorption-desorption, temperature-programmed desorption (TPD) of NH3, SEM and XRD. Influence of water vapor on the catalytic performance, particularly on the selectivities to acetic acid and acrylic acid, has also been studied. The selectivity to acrylic acid was improved significantly by the doping of alkaline earth metals to Mo-V-Sb-O-x catalysts. The surface acidic sites of the catalyst decreased with the doping of the catalyst with alkaline earth metals, which ultimately was found to be beneficial for obtaining high selectivity to acrylic acid. The catalytic activity and product selectivities were found to be influenced by the reaction temperature, C3H8/O-2 ratio and space velocity. A significant improvement in the selectivity to acrylic acid has also been observed by the addition of water vapor in the feed of propane and oxygen in the oxidation of propane.

}, keywords = {Acetic acid, acrylic acid, alkaline earth doped Mo-V-Sb-O-x catalysts, oxidation of propane, Surface acidity}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60122-5}, author = {Chaudhari, Chandan S. and Sable, Shailesh S. and Gurav, Hanumant and Kelkar, Ashutosh A. and Rane, Vilas H.} } @article { ISI:000274498300005, title = {Oxidative coupling of methane over La-promoted CaO catalysts: influence of precursors and catalyst preparation method}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {1}, year = {2010}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The oxidative coupling of methane to C(2) hydrocarbons has been studied over a series of La-promoted CaO (La/Ca = 0.05) catalysts, prepared using different precursor salts for CaO and La(2)O(3) (viz. acetates, carbonates, nitrates and hydroxides) and catalyst preparation methods (viz. physical mixing of precursors, co-precipitation using ammonium carbonate/sodium carbonate as a precipitating agent), under different reaction conditions (temperature: 700-850 degrees C, CH(4)/O(2) ratio: 4.0 and 8.0, and GHSV: 51360 cm(3).g(-1).h(-1)). The surface area and surface basicity/base strength distribution of the catalysts have also been investigated. The surface properties and catalytic activity/selectivity of the La-promoted CaO catalysts vary from catalyst to catalyst depending on the catalyst precursors used and catalyst preparation method. The basicity/base strength distribution is strongly influenced by the precursors (for CaO and La(2)O(3)) and catalyst preparation method. Basicity (total and strong basic sites measured in terms of CO(2) chemisorbed at 50 degrees C and 500 degrees C, respectively) observed for the catalyst prepared by co-precipitation method is higher than that of the catalysts prepared by physical mixing method. The catalysts prepared by the nitrates of La- and Ca- and co-precipitated by the solution of sodium carbonate and ammonium carbonate exhibit different catalytic performance in OCM. The finding that no direct relationship between the surface basicity and catalytic activity/selectivity in OCM exists indicates that basicity is not solely responsible for obtaining high selectivity to C(2) hydrocarbons.

}, keywords = {basicity distribution, La-promoted CaO catalysts, oxidative coupling of methane}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60023-2}, author = {Rane, Vilas H. and Chaudhari, Sopan T. and Choudhary, Vasant R.} } @article { ISI:000280359700010, title = {Pd-functionalized carbon nanotubes for selective hydrogenation of 2-butyne-1,4-diol}, journal = {Advanced Science Letters}, volume = {3}, number = {3}, year = {2010}, month = {SEP}, pages = {313-318}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Multiwalled carbon nanotubes were prepared by thermal decomposition method followed by acid treatment and Pd-functionalization with PdCl2 by wet impregnation method. The Pd functionlized carbon nanotubes catalyst was characterized by BET, FT-IR, Raman, XRD, EDX, ICP-OES, SEM and TEM and was evaluated for its activity for hydrogenation of 2-butyne-1,4-diol. It showed higher selectivity (93\%) to 2-butene-1,4-diol than Pd supported on commercial carbon (70\% selectivity to 2-butene-1,4-diol) for complete conversion of 2-butyne-1,4-diol. The catalyst also exhibited excellent stability as evidenced by the three catalyst recycle experiments.

}, issn = {1936-6612}, doi = {10.1166/asl.2010.1128}, author = {Nadgeri, Jayprakash M. and Garade, Ajit C. and Tambe, Romana A. and Gokhale, Suresh P. and Rode, Chandrashekhar V.} } @article { ISI:000274270100005, title = {Perturbations to Al-27 electric field gradients in nanocrystalline alpha-Al2O3 studied by high-resolution solid-state NMR}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {5}, year = {2010}, month = {FEB}, pages = {1775-1781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Al-27 solid-state NMR has been employed to study the perturbations to Al-27 electric field gradients for the aluminum environments in nanocrystalline alpha-alumina. Triple quantum magic angle spinning experiments show that the octahedral aluminum coordination remains unchanged down to 12 nm, although severe perturbations to Al-27 electric field gradients are noticed at 28 nm and below. 3Q-MAS and SATRAS experimental data of nano alpha-alumina have been analyzed through extensive spectral simulations to probe Al-27 electric field gradients of aluminum in the grains and grain boundaries. While the aluminum in the grains has a unique field gradient tensor, the same octahedrally coordinated aluminum environments in the grain boundaries suffer a distribution of electric field gradients. This is evidenced by data analysis of both 3Q-MAS and SATRAS spectra. By invoking the Gaussian isotropic model, in which the (C-Q, eta(Q)) parameter space is discretely sampled by the Czjzek distribution, we have been able to analyze the Al-27 SATRAS spectra of nanocrystalline alpha-alumina samples having grain sizes of 52, 28, 20, and 12 nm. Good agreement between experimental and simulated spectra has led to the quantitative determination of grain and grain boundary components in these materials.

}, issn = {1520-6106}, doi = {10.1021/jp907469n}, author = {Sabarinathan, V. and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000274752700031, title = {Polycarbonate/clay nanocomposites via in situ melt polycondensation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {5}, year = {2010}, month = {MAR}, pages = {2217-2227}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polycarbonate (PC)/clay nanocomposites were prepared via in situ melt polycondensation using novel organoclays modified using phosphonium and imidazolium based cations. The molecular weight of the separated polymer separated from the nanocomposites reveals that phosphonium ion modified organoclays catalyze the polycondensation of bisphenol A with diphenyl carbonate. Wide angle X-ray diffraction (WAXD) and transmission electron microscopy (TEM) indicated that exfoliated polycarbonate/clay nanocomposites could be obtained using organoclays which have reactive bisphenol functionality in the modifier. The glass transition temperature (T(g)) of the nanocomposites was studied using differential scanning calorimetry (DSC). The use of a more thermally stable modifier did not improve the color in polycarbonate clay nanocomposites. Although an approach to produce fully exfoliated PC nanocomposites are evident from this study, the process is far from perfect From the point of producing a color free transparent PC.

}, issn = {0888-5885}, doi = {10.1021/ie9015649}, author = {Rama, Mallikarjuna S. and Swaminathan, Sivaram} } @article { ISI:000283759400011, title = {Polyethersulfone-expanded graphite nanocomposites: charge transport and impedance characteristics}, journal = {Composites Science and Technology}, volume = {70}, number = {14}, year = {2010}, month = {NOV0}, pages = {2111-2116}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polyethersulfone (PES)-expanded graphite nanocomposites have been prepared by solution blending route after sonicating expanded graphite in dichloromethane. It has been observed that ultrasonication results in nanosheets formation leading to a low percolation threshold of 3 wt.\%. At 5 wt.\% filler loading the conductivity is of the order of 10(-2) S/cm. Hopping type of charge transport occurs at 3.2 wt.\% expanded graphite in PES below which capacitive effects couple. The effective dielectric constant at low frequency increases with filler concentration. Impedance measurement has been carried out to evaluate interfacial capacitance which, for 3.2 wt.\% expanded graphite addition in PES, increases to 110 pF from 32 pF for 1 wt.\% expanded graphite in the polymer. DSC analysis shows an increment of 12 C in the T(g) of PES with 3 wt.\% expanded graphite suggesting interaction between the polymer and filler. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Differential scanning calorimetry (DSC), Electrical properties, Modeling, Polymers, Scanning/transmission electron microscopy (STEM)}, issn = {0266-3538}, doi = {10.1016/j.compscitech.2010.08.008}, author = {Ramanujam, B. T. S. and Mahale, Rajashree Y. and Radhakrishnan, S.} } @article { ISI:000279139400020, title = {Preparation and characterization of CuInSe2 thin films by chemical bath deposition technique}, journal = {Journal of Alloys and Compounds}, volume = {500}, number = {1}, year = {2010}, month = {JUN}, pages = {78-81}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Copper indium diselenide (CIS) thin films have been deposited using a precursor solution containing copper sulphate, indium trichoride, hydrazine hydrate and sodium selenosulphate in an aqueous alkaline medium at room temperature. The as grown brown colored films were found to be well adherent to glass substrates. The films were characterized by X-ray diffraction, scanning electron microscopy, atomic absorption spectroscopy, optical absorption, electrical resistivity, and thermo electric measurement techniques. The analysis of optical absorption data shows band-gap energy (E-g) to be 1.1 eV. The electrical resistivity of the thin film was found to be of the order of 10(2) (Omega cm). Thermoelectric power measurement shows n-type conduction. (C) 2010 Published by Elsevier B.V.

}, keywords = {CuInSe2, Optical properties, Thin films, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.03.215}, author = {Hankare, P. P. and Rathod, K. C. and Chate, P. A. and Jadhav, A. V. and Mulla, Imtiaz S.} } @article {42795, title = {Process for synthesis of beaded cross linked polymers, water-in-oil-in-water emulsions and post functionalisation}, number = {2538/DEL}, year = {2010}, month = {JAN}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000282444000036, title = {Production of single cell protein, essential amino acids, and xylanase by penicillium janthinellum}, journal = {Bioresources}, volume = {5}, number = {4}, year = {2010}, month = {OCT}, pages = {2470-2477}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {

Microbial biomass having 46\% crude protein content and enriched with essential amino acids as well as extracellular xylanase activity (100-150 IU/ml) was produced by an efficient fungal strain, Penicillium janthinellum (NCIM St-F-3b). Optimization studies for maximum xylanase and biomass production showed that the fungus required a simple medium containing bagasse hemicellulose as carbon source and ammonium sulphate as the nitrogen source. Therefore bagasse, which is a waste product of the sugar industry, can be efficiently used in microbioal biomass protein preparation for animal feed.

}, keywords = {Bagasse hydrolysate, Crude protein, Microbial biomass production, Penicillium janthinellum, Xylanase}, issn = {1930-2126}, author = {Rao, Mala and Varma, Anjanikumar and Deshmukh, Sumedha S.} } @article { ISI:000285951200017, title = {Proline catalyzed direct diastereoselective 6-enolexo aldolization: toward the synthesis of the imino sugar DNJ}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {21-22}, year = {2010}, month = {NOV}, pages = {2703-2708}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A L-proline catalyzed direct diastereoselective 6-enolexo aldolization reaction of differentiating dialdehydes derived from tartaric acid is presented This organocatalytic approach provides high levels of synselectivity (dr \> 10 1) with the stereocontrolled C-C bond formation between C4 and C5 intramolecularly which can serve to synthesize Imino-sugar skeleton quickly (C) 2010 Elsevier Ltd All rights reserved

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.10.024}, author = {Kumar, Indresh and Rode, Chandrashekhar V.} } @article { ISI:000286161600003, title = {QTL mapping of 1000-kernel weight, kernel length, and kernel width in bread wheat (Triticum aestivum L.)}, journal = {Journal of Applied Genetics}, volume = {51}, number = {4}, year = {2010}, month = {DEC}, pages = {421-429}, publisher = {POLISH ACAD SCIENCES, INST PLANT GENETICS}, address = {STRZESZYNSKA 34, POZNAN, 60-479, POLAND}, abstract = {

Kernel size and morphology influence the market value and milling yield of bread wheat (Triticum aestivum L.). The objective of this study was to identify quantitative trait loci (QTLs) controlling kernel traits in hexaploid wheat. We recorded 1000-kernel weight, kernel length, and kernel width for 185 recombinant inbred lines from the cross Rye Selection 111 x Chinese Spring grown in 2 agro-climatic regions in India for many years. Composite interval mapping (CIM) was employed for QTL detection using a linkage map with 169 simple sequence repeat (SSR) markers. For 1000-kernel weight, 10 QTLs were identified on wheat chromosomes 1A, 1D, 2B, 2D, 4B, 5B, and 6B, whereas 6 QTLs for kernel length were detected on 1A, 2B, 2D, 5A, 5B and 5D. Chromosomes 1D, 2B, 2D, 4B, 53 and 5D had 9 QTLs for kernel width. Chromosomal regions with QTLs detected consistently for multiple year-location combinations were identified for each trait. Pleiotropic QTLs were found on chromosomes 2B, 2D, 4B, and 5B. The identified genomic regions controlling wheat kernel size and shape can be targeted during further studies for their genetic dissection.

}, keywords = {composite interval mapping, kernel shape, kernel size, quantitative trait loci, Stable QTLs, Triticum aestivum}, issn = {1234-1983}, doi = {10.1007/BF03208872}, author = {Ramya, P. and Chaubal, A. and Kulkarni, K. and Gupta, L. and Kadoo, Narendra Y. and Dhaliwal, Harcharan Singh and Chhuneja, Parveen and Lagu, Meena D. and Gupta, V.} } @article { ISI: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:000284238000028, title = {Rapid generation of hierarchical nanoarchitectures of CdS via facile microwave assisted hydrothermal/semi-solvothermal route}, journal = {International Journal of Nanotechnology}, volume = {7}, number = {9-12, SI}, year = {2010}, month = {DEC}, pages = {1120-1130}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {

1-D nanorod bundles as well as sea urchin and starfish like hierarchical morphological nanoarchitectures of CdS have been synthesised using a facile microwave assisted hydrothermal/semi-solvothermal technique. Observation of interesting regular/irregular pine-tree like secondary growth over these hierarchical nanoarchitectures is an important aspect of this work. Cadmium acetate and thiourea were used as precursor materials and were dissolved in solution containing mixture of diethylene triamine (DETA) and deionised water (DIW) in different volume ratios prior to subjecting the resultant solution to microwave radiation of 300 W at a reaction time of 10 min and temperature of 140 degrees C. XRD revealed formation of hexagonal CdS with strong (002) preferred orientation (c-axis orientation). Morphology dependent optical properties are studied using room temperature photoluminescence spectroscopy. We feel such secondary growth will be highly favourable in determining the non-linear properties of optoelectronic devices fabricated using such novel hierarchical nanoarchitectures.

}, keywords = {CdS, hierarchical nanoarchitectures, Microwave, Nanorods, secondary growth, solvothermal synthesis}, issn = {1475-7435}, author = {Shinde, Manish D. and Pawar, Amol U. and Sreeja, V. and Rane, Sunit and Potdar, Hari S. and Amalnerkar, Dinesh P.} } @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:000278832400011, title = {Regiospecific oxyhalogenation of aromatics over SBA-15-supported nanoparticle group IV-VI metal oxides}, journal = {Catalysis Letters}, volume = {137}, number = {3-4}, year = {2010}, month = {JUL}, pages = {190-201}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

TiO(x), VO(x), MoO(x) and WO(x) supported on SBA-15 exhibit efficient catalytic activity for oxyhalogenation of aromatics with the H(2)O(2)-halide ion system. Unlike the hitherto known solid catalysts, these reusable catalysts yield the para-halogenated product with 100\% selectivity at 298 K and moderate acidic pH (3-5). The catalytic activity was enhanced by five orders of magnitude when supported on SBA-15.

}, keywords = {Haloperoxidase activity, Ordered mesoporous silica, Oxyhalogenation of aromatics, SBA-15, Supported metal oxides}, issn = {1011-372X}, doi = {10.1007/s10562-010-0350-z}, author = {Saikia, Lakshi and Rajesh, M. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000277343900009, title = {Relatedness of Indian flax genotypes (Linum usitatissimum L.): an inter-simple sequence repeat (ISSR) primer assay}, journal = {Molecular Biotechnology}, volume = {45}, number = {2}, year = {2010}, month = {JUN}, pages = {161-170}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

The objective of this study was to analyze the genetic relationships, using PCR-based ISSR markers, among 70 Indian flax (Linum usitatissimum L.) genotypes actively utilized in flax breeding programs. Twelve ISSR primers were used for the analysis yielding 136 loci, of which 87 were polymorphic. The average number of amplified loci and the average number of polymorphic loci per primer were 11.3 and 7.25, respectively, while the percent loci polymorphism ranged from 11.1 to 81.8 with an average of 63.9 across all the genotypes. The range of polymorphism information content scores was 0.03-0.49, with an average of 0.18. A dendrogram was generated based on the similarity matrix by the Unweighted Pair Group Method with Arithmetic Mean (UPGMA), wherein the flax genotypes were grouped in five clusters. The Jaccard{\textquoteright}s similarity coefficient among the genotypes ranged from 0.60 to 0.97. When the omega-3 alpha linolenic acid (ALA) contents of the individual genotypes were correlated with the clusters in the dendrogram, the high ALA containing genotypes were grouped in two clusters. This study identified SLS 50, Ayogi, and Sheetal to be the most diverse genotypes and suggested their use in breeding programs and for developing mapping populations.

}, keywords = {ALA, Alpha linolenic acid, Diversity assessment, Linseed, Oil content, Omega-3 fatty acid}, issn = {1073-6085}, doi = {10.1007/s12033-010-9256-7}, author = {Rajwade, Ashwini V. and Arora, Ritu S. and Kadoo, Narendra Y. and Harsulkar, Abhay M. and Ghorpade, Prakash B. and Gupta, Vidya S.} } @article { ISI:000278725100023, title = {Renewable H-2 from glycerol steam reforming: effect of La2O3 and CeO2 addition to Pt/Al2O3 catalysts.}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {619-628}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Glycerol is the main byproduct of biodiesel production and its increased production volume derives from the increasing demand for biofuels. The conversion of glycerol to hydrogen-rich mixtures presents an attractive route towards sustainable biodiesel production. Here we explored the use of Pt/Al2O3-based catalysts for the catalytic steam reforming of glycerol, evidencing the influence of La2O3 and CeO2 doping on the catalyst activity and selectivity. The addition of the latter metal oxides to a Pt/Al2O3 catalyst is found to significantly improve the glycerol steam reforming, with high H-2 and CO2 selectivities. A good catalytic stability is achieved for the Pt/La2O3/Al2O3 system working at 350 degrees C, while the Pt/CeO2/Al2O3 catalyst sharply deactivates after 20 h under similar conditions. Studies carried out on fresh and exhausted catalysts reveal that both systems maintain high surface areas and high Pt dispersions. Therefore, the observed catalyst deactivation can be attributed to coke deposition on the active sites throughout the catalytic process and only marginally to Pt nanoparticle sintering. This work suggests that an appropriate support composition is mandatory for preparing high-performance Pt-based catalysts for the sustainable conversion of glycerol into syngas.

}, keywords = {biofuels, Glycerol, heterogeneous catalysis, platinum, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200900243}, author = {Montini, Tiziano and Singh, Rakesh and Das, Piyali and Lorenzut, Barbara and Bertero, Nicolas and Riello, Pietro and Benedetti, Alvise and Giambastiani, Giuliano and Bianchini, Claudio and Zinoviev, Sergey and Miertus, Stanislav and Fornasiero, Paolo} } @article { ISI:000281296900029, title = {Reversal from endothermic to exothermic behavior of imidazolium-based ionic liquids in molecular solvents}, journal = {Chemical Physics Letters}, volume = {496}, number = {1-3}, year = {2010}, month = {AUG}, pages = {143-147}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this communication, we present an interesting reversal in the enthalpic behavior from endothermic to exothermic on increasing the carbon chain length attached to the imidazolium ring in the imidazolium-based ionic liquids. A systematic investigation is presented on the excess partial molar enthalpy, H(IL)(E) directly measured using isothermal titration calorimeter at 298.15 K for the interactions operating between cation and anion of four imidazolium ionic liquids with aqueous and various non-aqueous solvents. This reversal behavior is analyzed in terms of hydrophobic and solvation effects. (C) 2010 Published by Elsevier B.V.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2010.07.056}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000282871600015, title = {Selective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {41}, year = {2010}, month = {SEP}, pages = {9073-9080}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

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

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

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

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

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

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

}, keywords = {DEM, Diffusion, granular, index matching, LAMMPS, laser fluorescence}, isbn = {978-0-7354-0772-5}, issn = {0094-243X}, doi = {10.1063/1.3435393}, author = {Orpe, Ashish V. and Rycroft, Chris H. and Kudrolli, Arshad A.}, editor = {Goddard, J. D. and Jenkins, J. T. and Giovine, P.} } @article { ISI: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} } @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:000287635800023, title = {Stereoselective formal total synthesis of novel antibiotic (-)-centrolobine}, journal = {Heterocycles}, volume = {80}, number = {1}, year = {2010}, month = {JAN}, pages = {219-227}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {antibiotic, Centrolobine, Keck allylation, Ring-closing metathesis, Sharpless asymmetric epoxidation}, issn = {0385-5414}, doi = {10.3987/COM-08-S(S)1}, author = {Mohapatra, Debendra K. and Pal, Rita and Rahaman, Hasibur and Gurjar, Mukund K.} } @article { ISI:000279333000002, title = {Structure-activity studies of dodecatungstophosphoric acid impregnated bentonite clay catalyst in hydroxyalkylation of p-cresol}, journal = {Catalysis Communications}, volume = {11}, number = {11}, year = {2010}, month = {JUN}, pages = {942-945}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {Antiferromagnetic exchange, Bioinorganic chemistry, DNA cleavage, iron, Nuclease activity, PAP(ox) analogues}, issn = {0376-4710}, author = {Waghmode, Shobha A. and Date, Sadgopal K. and Gupta, Vidya S. and Rane, Sandhya Y.} } @article { ISI:000279836400026, title = {Synthesis and characterization of polyurethane-grafted single-walled carbon nanotubes via click chemistry}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {9}, year = {2010}, month = {SEP}, pages = {5700-5707}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Polyurethane (PU)-grafted carbon nanotubes were synthesized by the coupling of alkyne moiety decorated single walled carbon nanotube (SWCNT) with azide moiety containing PU using Cu(I) catalyzed Huisgen [3 + 2] cycloaddition click chemistry. The azide moiety containing poly(E-caprolactone)diol was synthesized by ring-opening polymerization and further used for PU synthesis. Alkyne-functionalizion of SWCNT was completed by the reaction of p-aminophenyl propargyl ether with SWCNT using a solvent free diazotization procedure. Nuclear magnetic resonance, Fourier transform infrared, and Raman spectroscopic measurements confirmed the functionalization of SWCNT. Scanning electron microscopy and transmission electron microscopy images showed an excellent dispersion of SWCNTs, and specially debundling of SWCNTs could be observed due to polymer assisted dispersion. A quantitative grafting was successfully achieved even at high content of functional groups.

}, keywords = {Carbon nanotubes, Click chemistry, dispersion, polyurethane}, issn = {1533-4880}, doi = {10.1166/jnn.2010.2434}, author = {Rana, Sravendra and Cho, Jae Whan and Kumar, Indresh} } @article { ISI:000282663700004, title = {Synthesis of acrolein by gas-phase dehydration of glycerol over silica supported bronsted acidic ionic liquid catalysts}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {85}, number = {10}, year = {2010}, month = {OCT}, pages = {1319-1324}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

BACKGROUND: Glycerol has become readily available as a byproduct from the biodiesel industry. High functionality and relatively low price make it a potential building block to produce value-added derivatives such as acrolein. RESULTS: Dehydration of glycerol to acrolein was performed over several silica supported Bronsted acidic ionic liquids as catalysts. All the catalysts prepared were active for the synthesis of acrolein (conversion of glycerol was observed in the range 35-90\% with selectivity to acrolein in the range 29-58\%). CONCLUSIONS: Catalyst prepared from triphenyl (3-sulfopropyl) phosphonium 4-methylbenzenesulfonate gave good activity and selectivity at 4 h reaction time. The conversion of glycerol decreased with increase in glycerol concentration. Higher temperature (325 degrees C) resulted in significantly lower conversion as well as selectivity to acrolein. With the use of two additional traps cooled to -7 degrees C, the selectivity to acrolein increased significantly for good catalysts. (C) 2010 Society of Chemical Industry

}, keywords = {acidic ionic liquids, acrolein, glycerol dehydration, supported catalyst}, issn = {0268-2575}, doi = {10.1002/jctb.2434}, author = {Munshi, Mudassir K. and Lomate, Samadhan T. and Deshpande, Raj Madhukar and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000276573700013, title = {Synthesis of hybrid 1,2,3-triazolo-delta-lactams/lactones using Huisgen [3+2] cycloaddition {\textquoteleft}click-chemistry{\textquoteright} in water}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {3}, year = {2010}, month = {MAR}, pages = {352-355}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of a new class of hybrid 1,2,3-triazozlo-delta-lactams/lactones has been achieved using the Huisgen [3+2] dipolar cycloaddition {\textquoteleft}click-chemistry{\textquoteright} reaction of various organic azides with an activated alkyne in water, followed by cyclization. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.02.002}, author = {Kumar, Indresh and Rana, Sravendra and Cho, Jae Whan and Rode, Chandrashekhar V.} } @article { ISI:000287801700007, title = {Synthetic studies of superstolide A: a carbohydrate based synthesis of the C21-C26 segment}, journal = {Letters in Organic Chemistry}, volume = {7}, number = {8}, year = {2010}, month = {DEC}, pages = {657-660}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The synthesis of C21-C26 fragment of superstolide A, starting from D-glucose diacetonide, involving regioselective ring opening of epoxide by Grignard reagent and regioselective stereospecefic hydroboration oxidation has been described.

}, keywords = {Chiral pool, Potent cytotoxic, Regioselective epoxide opening, Stereoselective hydroboration-oxidation, Superstolide A}, issn = {1570-1786}, doi = {10.2174/157017810793811704}, author = {Pal, Rita and Rahaman, Hasibur and Mohapatra, Debendra K. and Gurjar, Mukund K.} } @article { ISI:000282259600001, title = {Systems approach to investigating host-pathogen interactions in infections with the biothreat agent Francisella. constraints-based model of Francisella tularensis}, journal = {BMC Systems Biology}, volume = {4}, year = {2010}, month = {AUG}, pages = {118}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Francisella tularensis is a prototypic example of a pathogen for which few experimental datasets exist, but for which copious high-throughout data are becoming available because of its re-emerging significance as biothreat agent. The virulence of Francisella tularensis depends on its growth capabilities within a defined environmental niche of the host cell. Results: We reconstructed the metabolism of Francisella as a stoichiometric matrix. This systems biology approach demonstrated that changes in carbohydrate utilization and amino acid metabolism play a pivotal role in growth, acid resistance, and energy homeostasis during infection with Francisella. We also show how varying the expression of certain metabolic genes in different environments efficiently controls the metabolic capacity of F. tularensis. Selective gene-expression analysis showed modulation of sugar catabolism by switching from oxidative metabolism (TCA cycle) in the initial stages of infection to fatty acid oxidation and gluconeogenesis later on. Computational analysis with constraints derived from experimental data revealed a limited set of metabolic genes that are operational during infection. Conclusions: This integrated systems approach provides an important tool to understand the pathogenesis of an ill-characterized biothreat agent and to identify potential novel drug targets when rapid target identification is required should such microbes be intentionally released or become epidemic.

}, issn = {1752-0509}, doi = {10.1186/1752-0509-4-118}, author = {Raghunathan, Anu and Shin, Sookil and Daefler, Simon} } @article { ISI:000282128700005, title = {Tensile properties, cell adhesion, and drug release behavior of chitosan-silver-gelatin nanohybrid films and scaffolds}, journal = {Macromolecular Research}, volume = {18}, number = {9}, year = {2010}, month = {SEP}, pages = {845-852}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Drug-loaded nanohybrid films and porous scaffolds were prepared using chitosan, Ag nanoparticles and gelatin using a solution casting and freeze-drying method, respectively. Gelatin was used to incorporate the cell onto the surface of the scaffolds and the nanohybrid films. 1-[2-hydroxyethyl]-2-methyl-5-nitroimidazole) (Metronidazole (MTZ) was used as a model drug. The small percentage of Ag nanoparticles in the nanohybrid films and scaffolds produced significantly higher cell proliferation and levels of drug release. The tensile properties showed improvement in strength by Ag nanoparticles reinforcement at the expense of elongation.

}, keywords = {carcinogenic metronidazole, cell proliferation, chitosan-Ag-gelatin nanohybrids, drug release, nano-hybrids, scaffolds}, issn = {1598-5032}, doi = {10.1007/s13233-010-0905-2}, author = {Rana, V. K. and Kushwaha, Omkar S. and Singh, RajPal and Mishra, Satyendra and Ha, Chang-Sik} } @article { ISI:000275969800001, title = {Transport of yttrium metal ions through fibers supported liquid membrane solvent extraction}, journal = {Journal of Rare Earths}, volume = {28}, number = {1}, year = {2010}, month = {FEB}, pages = {1-6}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel idea of transport of yttrium (III) metal ions through fibers supported liquid membrane in two stage processes namely source to membrane and membrane to receiving phase has been proposed. The fibers supported liquid membrane was impregnated with different concentrations carrier. The experimental variables explored were concentration of yttrium (III) ions, pH of source phase, PC-88A concentration in membrane phase, acid concentration in receiving phase and stirring speed. The pre-concentration of yttrium MO ions was investigated from the dilute solutions. The two-channel fibers supported liquid membrane solvent extraction was investigated for the transport of yttrium (III) ions from the source to membrane and membrane to receiving phase. The transport of yttrium (III) ions was observed through the fibers supported liquid membrane with capillary action.

}, keywords = {channel, extraction, fibers supported liquid membrane solvent extraction, PC-88A, rare earths, stripping, yttrium metal ion}, issn = {1002-0721}, doi = {10.1016/S1002-0721(09)60038-7}, author = {Gaikwad, Abaji G. and Rajput, A. M.} } @article { ISI:000282830500007, title = {Unusual central indian drought of summer monsoon 2008: role of southern tropical indian ocean warming}, journal = {Journal of Climate}, volume = {23}, number = {19}, year = {2010}, month = {OCT}, pages = {5163-5174}, publisher = {AMER METEOROLOGICAL SOC}, address = {45 BEACON ST, BOSTON, MA 02108-3693 USA}, abstract = {

While many of the previous positive Indian Ocean dipole (IOD) years were associated with above (below)normal monsoon rainfall over central (southern) India during summer monsoon months [June-September (JJAS)], the IOD event in 2008 is associated with below (above)-normal rainfall in many parts of central (southern peninsular) India. Because understanding such regional organization is a key for success in regional prediction, using different datasets and atmospheric model simulations, the reasons for this abnormal behavior of the monsoon in 2008 are explored. Compared to normal positive IOD events, sea surface temperature (SST) and rainfall in the southern tropical Indian Ocean (STIO) in JJAS 2008 were abnormally high. Downwelling Rossby waves and oceanic heat advection played an important role in warming SST abnormally in the STIO. It was also found that the combined influence of a linear warming trend in the tropical Indian Ocean and warming associated with the IOD have resulted in abnormal warming of the STIO. This abnormal SST warming resulted in enhancement of convection in the southwest tropical Indian Ocean and forced anticyclonic circulation anomalies over the Bay of Bengal and central India, leading to suppressed rainfall over this region in JJAS 2008. The above mechanism is tested by conducting several model sensitivity experiments with an atmospheric general circulation model (AGCM). These experiments confirmed that the subsidence over central India and the Bay of Bengal was forced mainly by the anomalous warming in the STIO region driven by coupled ocean-atmosphere processes. This study provides the first evidence of combined Indian Ocean warming, associated with global warming, and IOD-related warming influence on Indian summer monsoon rainfall. The combined influence may force below-normal rainfall over central India by inducing strong convection in the STIO region. The conventional seesaw in convection between the Indian subcontinent and the eastern equatorial Indian Ocean may shift to the central equatorial Indian Ocean and the Bay of Bengal if the central Indian Ocean consistently warms in the global warming scenario.

}, issn = {0894-8755}, doi = {10.1175/2010JCLI3257.1}, author = {Rao, Suryachandra A. and Chaudhari, Hemantkumar S. and Pokhrel, Samir and Goswami, B. N.} } @article { ISI: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:000286474600008, title = {(-)-6 alpha-Hydroxy polyanthellin A - a novel antifouling diterpenoid from the Indian soft coral Cladiella krempfi (Hickson)}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {89}, number = {1}, year = {2011}, month = {JAN}, pages = {57-60}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {1200 MONTREAL ROAD, BUILDING M-55, OTTAWA, ON K1A 0R6, CANADA}, abstract = {

Bioassay-guided purification of methanol extract of the soft coral Cladiella krempfi (Octocorallia: Alcynocea) yielded a novel eunicellin-type diterpenoid, (-)-6 alpha-hydroxy polyanthellin A (1), active against the cyprids of the fouling barnacle, Balanus amphitrite (EC(50) 9.02 mu g/mL; LC(50) 36 mu g/mL; and therapeutic ratio = 4). The structure of compound 1 was determined from its spectral data, including IR, NMR (1D and 2D NMR), and mass spectra.

}, keywords = {antifouling, Balanus amphitrite, biofouling, Cladiella krempfi, diterpenes}, issn = {0008-4042}, doi = {10.1139/V10-159}, author = {Mol, V. P. Limna and Raveendran, T. V. and Parameswaran, P. S. and Kunnath, R. J. and Rajamohanan, P. R.} } @article { ISI:000293087200006, title = {Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone}, journal = {New Journal of Chemistry}, volume = {35}, number = {8}, year = {2011}, month = {MAY}, pages = {1615-1623}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystal engineering based on halogen bonding together with host-guest interactions of water molecules via H-bonding, stabilizing supramolecular architecture in chloro 1, bromo 2 and iodo 3 oximes of lawsone, is discussed. 1 and 2 crystallize in orthorhombic, non-centrosymmetric space group Pna2(1) while 3 crystallizes in monoclinic P2(1)/n space group. Non-covalent competitive interactions of asymmetric solvation and halogen bonding can have a large influence on the spin distribution in 1, 2 and 3 derivatives of spin carrier lawsone live polymer as revealed by single crystal X-ray and EPR studies. The significant C3-Cl/Br center dot center dot center dot O, C3-Cl/Br center dot center dot center dot H, O-H center dot center dot center dot O-C, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions have been identified in the molecular assemblies leading to net magnetostructures of halo-oximes. Dimer-of-dimer-type tetrameric radical assembly of 3 and interacting bi- and monoradical chain on 2(1) axis in 1 and 2 have been identified. The proton-coupled electron transfers possibly govern the antioxidant nature in halooximes of spin carrier lawsone in terms of oxygen reduction to water molecules. Such activity is found to be directly proportional to the spin (radical) concentrations in 1 to 3 and increases in order 1 \< 2 \< 3 according to halogen bonding effect. The antioxidant chemical DPPH assays for scavenging of such free radicals result in similar trend of increasing order like 1 \< 2 \< 3, but the chemical in vitro as well as ex vivo SOD antioxidant activities and biological anticancer activity on MCF-7, Hela and HL-60 cell lines show the increasing order 3 \< 2 \< 1 according to H-bonding effect. This probably could be attributed to the conversion of superoxide radical ions into H(2)O(2), which leads to greater oxidative stress leading to apoptosis.

}, issn = {1144-0546}, doi = {10.1039/c1nj20176j}, author = {Zaware, Santosh B. and Gonnade, Rajesh G. and Srinivas, Darbha and Khan, Ayesha A. and Rane, Sandhya Y.} } @article { ISI:000292893300014, title = {Assembly of polyethyleneimine in the hexagonal mesophase of nonionic surfactant: effect of pH and temperature}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {29}, year = {2011}, month = {JUL}, pages = {9059-9069}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the dispersion of a pH responsive polymer, polyethyleneimine, PEI, in a hexagonal (H(1)) mesophase of a nonionic surfactant, C(12)E(9), and water, at pH ranging from basic (pH = 12.8) to acidic (pH = 1). While the C(12)E(9)/H(2)O phase behavior is independent of pH, we demonstrate that, in the PEI/C(12)E(9)/H(2)O system, changing the pH influences PEI-C(12)E(9) interactions, and thus, influences the isotropic-H(1) phase transition. With decrease in pH, there is increasing protonation of the PEI chain, and consequently, the chain extends. We show, using a combination of SAXs, optical microscopy and visual experiments, that the inclusion of PEI in a 1:1 surfactant water mixture, lowers the hexagonal-isotropic transition temperature, T. At higher pH = 12.8 T(HI) shows a pronounced decrease from SO to 13 degrees C on addition of PEI, and the PEI/C(12)E(9)/H(2)O system forms a transparent gel. At pH = 1, we observe qualitatively different behavior and an opaque gel forms below T(HI)= 25 degrees C. The isotropic-H(1) transition, in turn, influences the phase separation of PEI chains from the C(12)E(9)/H(2)O system. 2D NMR ROESY data provides evidence that there are strong surfactant PEI interactions at high pH that significantly reduce at lower pH. The NMR data is in accord with molecular dynamics simulations that show that surfactants strongly aggregate with unprotonated PEI chains, but not with fully protonated chains; thus, in this system, the pH controls a cascade of microstructural organization: increasing pH decreases chain protonation and increases polymer-surfactant interactions, resulting in suppression of the isotropic-H(1) transition to lower temperatures, thus, influencing the phase separation of PEI from the surfactant/water system.

}, issn = {1520-6106}, doi = {10.1021/jp202614x}, author = {Sharma, Kamendra P. and Choudhury, Chandan Kumar and Srivastava, Sonal and Davis, Hilda C. and Rajamohanan, P. R. and Roy, Sudip and Kumaraswamy, Guruswamy} } @article { ISI:000296873900005, title = {Asymmetric first total syntheses and assignment of absolute configuration of oxazinin-5, oxazinin-6 and preoxazinin-7}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {23}, year = {2011}, month = {SEP}, pages = {7990-7992}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Asymmetric first total syntheses of the unprecedented toxins oxazinin-5, oxazinin-6 and preoxazinin-7 have been achieved from a common key intermediate 18, derived from a regiocontrolled Sharpless asymmetric aminohydroxylation and oxa-Michael reaction, which in addition to confirming the structure also established the absolute configuration of the natural products. On the way an expeditious synthesis of a metabolite bursatellin was completed in 8 steps.

}, issn = {1477-0520}, doi = {10.1039/c1ob06320k}, author = {Dethe, Dattatraya H. and Ranjan, Alok and Pardeshi, Vijendra H.} } @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:000292932100011, title = {Bioactivity of essential oils of zingiber officinalis and achyranthes aspera against mosquitoes}, journal = {Parasitology Research}, volume = {109}, number = {2}, year = {2011}, month = {AUG}, pages = {339-343}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, issn = {0932-0113}, doi = {10.1007/s00436-011-2261-3}, author = {Khandagle, Abhay J. and Tare, Vrushali S. and Raut, Kishor D. and Morey, Rashmi A.} } @article { ISI:000287428900016, title = {Bioethanol production from renewable polymer lichenan using lichenase from an alkalothermophilic thermomonospora sp and thermotolerant yeast}, journal = {Fuel Processing Technology}, volume = {92}, number = {3}, year = {2011}, month = {MAR}, pages = {401-406}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Biomass feedstocks available decentrally will be more commodious for localized biorefinery approach than the exhaustive large scale and centralized plants driven by cost intensive technology. Lichen is present in a wide range of habitats in a distributed manner. A maximum hydrolysis of 73\%-76\% for lichenan from Cetraria islandica, Usnea barbata and Parmelia sp. were obtained in 24 h using lichenase from an alkalothermophilic Thermomonospora sp. wherein the hydrolysis was 100\% with commercial enzyme Accellerase (TM) 1000. The synergistic role of beta-glucosidase in lichenan hydrolysis was demonstrated by the exogenous addition of beta-glucosidase to Thermomonospora lichenase which resulted in complete hydrolysis. The hydrolysates of lichenan obtained using Accellerase or a cocktail of Thermomonospora lichenase and beta-glucosidase when fermented with free cells of Saccharomyces at 40 degrees C produced an ethanol yield of 0.45 g/g-0.48 g/g with theoretical conversion efficiencies of 93\%-96\%. The Ca-alginate immobilized yeast cells were reused eight times at 40 degrees C with 100\% fermentation efficiency. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Ethanol, Hydrolysis, Lichenan, Lichenase, Synergism, Thermotolerant yeast}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2010.10.001}, author = {Menon, Vishnu and Divate, Rupesh and Rao, Mala} } @article { ISI:000289455200019, title = {Biomimetic total syntheses of flinderoles B and C}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {9}, year = {2011}, month = {MAR}, pages = {2864-2867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple and efficient biomimetic synthesis of pyrrolo[1,2-a]indoles using a highly stereo- and regioselective [3 + 2] reaction cascade was developed and then further applied in the first total synthesis of flinderoles B and C, which proceeded in 17.2\% yield over the longest linear sequence of 11 steps.

}, issn = {0002-7863}, doi = {10.1021/ja1116974}, author = {Dethe, Dattatraya H. and Erande, Rohan D. and Ranjan, Alok} } @article { ISI:000292735200016, title = {CFD simulation of stirred tanks: comparison of turbulence models (Part II: axial flow impellers, multiple impellers and multiphase dispersions)}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {4, SI}, year = {2011}, month = {AUG}, pages = {754-816}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

In the first part of the review, published literature regarding the CFD modelling of single-phase turbulent flow in stirred tank reactors with radial flow impellers was critically analysed. A brief overview of different turbulence models (standard k-epsilon model, RNG k-epsilon model, the Reynolds stress model and large eddy simulation) as well as impeller baffle interaction models has been presented in the previous part. This part is concerned with the review of literature regarding CFD simulation of axial flow impellers. Comprehensive simulations have been carried out using various turbulence models and the model predictions (of all the mean velocities, turbulent kinetic energy and its dissipation rate) have been compared with the experimental measurements at various locations in the tank. The strengths and weaknesses of various turbulence models for axial flow impellers is presented. The quantitative comparison of exact and modelled turbulence production, transport and dissipation terms has highlighted the reasons behind the partial success of various modifications of standard k-e model as well as Reynolds stress model. Literature efforts on multiple impeller systems and multiphase systems have been discussed in a separate section. Based on these results, suggestions have been made for the future work in this area.

}, keywords = {axial flow impellers, CFD, impeller models, stirred vessel, turbulence models}, issn = {0008-4034}, doi = {10.1002/cjce.20465}, author = {Joshi, Jyeshtharaj B. and Nere, Nandkishor K. and Rane, Chinmay V. and Murthy, B. N. and Mathpati, Channamallikarjun S. and Patwardhan, Ashwin W. and Ranade, Vivek V.} } @article { ISI:000287042800004, title = {CFD simulation of stirred tanks: comparison of turbulence models. part I: radial flow impellers}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {1}, year = {2011}, month = {FEB}, pages = {23-82}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A critical review of the published literature regarding the computational fluid dynamics (CFD) modelling of single-phase turbulent flow in stirred tank reactors is presented. In this part of review, CFD simulations of radial flow impellers (mainly disc turbine (DT)) in a fully baffled vessel operating in a turbulent regime have been presented. Simulated results obtained with different impeller modelling approaches (impeller boundary condition, multiple reference frame, computational snap shot and the sliding mesh approaches) and different turbulence models (standard k-epsilon model, RNG k-epsilon model, the Reynolds stress model (RSM) and large eddy simulation) have been compared with the in-house laser Doppler anemometry (LDA) experimental data. In addition, recently proposed modifications to the standard k-epsilon models were also evaluated. The model predictions (of all the mean velocities, turbulent kinetic energy and its dissipation rate) have been compared with the experimental measurements at various locations in the tank. A discussion is presented to highlight strengths and weaknesses of currently used CFD models. A preliminary analysis of sensitivity of modelling assumptions in the k-epsilon models and RSM has been carried out using LES database. The quantitative comparison of exact and modelled turbulence production, transport and dissipation terms has highlighted the reasons behind the partial success of various modifications of standard k-epsilon model as well as RSM. The volume integral of predicted energy dissipation rate is compared with the energy input rate. Based on these results, suggestions have been made for the future work in this area.

}, keywords = {CFD, impeller models, k-epsilon models, LES, radial flow impellers, RSM, stirred vessel}, issn = {0008-4034}, doi = {10.1002/cjce.20446}, author = {Joshi, Jyeshtharaj B. and Nere, Nandkishor K. and Rane, Chinmay V. and Murthy, B. N. and Mathpati, Channamallikarjun S. and Patwardhan, Ashwin W. and Ranade, Vivek V.} } @article { ISI:000286834600005, title = {Combined strategy for the dispersion/dissolution of single walled carbon nanotubes and cellulose in water}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {7}, year = {2011}, month = {JAN}, pages = {2054-2056}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Co-dispersion of native cellulose and single walled carbon nanotubes in water is demonstrated. The pH of the water should be between 6 and 10 for better dispersion. Raman spectra confirm debundling of nanotubes in water and FTIR spectra reveal that the co-solubility is likely caused through disruption of intramolecular hydrogen bonds in the cellulose by hydroxyl groups present on nanotubes surface and the creation of intermolecular hydrogen bonds between cellulose and carbon nanotubes. This is a very simple method for co-dispersion/dissolution of nanotubes and cellulose in water without covalent modifications and expands the repertoire of nanotube modification strategies that are amenable to biological applications.

}, issn = {0959-9428}, doi = {10.1039/c0jm03186k}, author = {Adsul, Mukund G. and Rey, Diego A. and Gokhale, Digambar V.} } @article {43255, title = {Comparative genomics of the pathogenic ciliate Ichthyophthirius multifiliis, its free-living relatives and a host species provide insights into adoption of a parasitic lifestyle and prospects for disease control}, journal = {Genome Biology}, volume = {12}, year = {2011}, month = {OCT}, pages = {Article Number: R100}, abstract = {Background: Ichthyophthirius multifiliis, commonly known as Ich, is a highly pathogenic ciliate responsible for {\textquoteright}white spot{\textquoteright}, a disease causing significant economic losses to the global aquaculture industry. Options for disease control are extremely limited, and Ich{\textquoteright}s obligate parasitic lifestyle makes experimental studies challenging. Unlike most well-studied protozoan parasites, Ich belongs to a phylum composed primarily of free-living members. Indeed, it is closely related to the model organism Tetrahymena thermophila. Genomic studies represent a promising strategy to reduce the impact of this disease and to understand the evolutionary transition to parasitism. Results: We report the sequencing, assembly and annotation of the Ich macronuclear genome. Compared with its free-living relative T. thermophila, the Ich genome is reduced approximately two-fold in length and gene density and three-fold in gene content. We analyzed in detail several gene classes with diverse functions in behavior, cellular function and host immunogenicity, including protein kinases, membrane transporters, proteases, surface antigens and cytoskeletal components and regulators. We also mapped by orthology Ich{\textquoteright}s metabolic pathways in comparison with other ciliates and a potential host organism, the zebrafish Danio rerio. Conclusions: Knowledge of the complete protein-coding and metabolic potential of Ich opens avenues for rational testing of therapeutic drugs that target functions essential to this parasite but not to its fish hosts. Also, a catalog of surface protein-encoding genes will facilitate development of more effective vaccines. The potential to use T. thermophila as a surrogate model offers promise toward controlling {\textquoteright}white spot{\textquoteright} disease and understanding the adaptation to a parasitic lifestyle.}, doi = {10.1186/gb-2011-12-10-r100}, author = {Coyne, Robert S. and Hannick, Linda and Shanmugam, Dhanasekaran and Hostetler, Jessica B. and Brami, Daniel and Joardar, Vinita S. and Johnson, Justin and Radune, Diana and Singh, Irtisha and Badger, Jonathan H. and Kumar, Ujjwal and Saier, Milton and Wang, Yufeng and Cai, Hong and Gu, Jianying and Mather, Michael W. and Vaidya, Akhil B. and Wilkes, David E. and Rajagopalan, Vidyalakshmi and Asai, David J. and Pearson, Chad G. and Findly, Robert C. and Dickerson, Harry W. and Wu, Martin and Martens, Cindy and Van de Peer, Yves and Roos, David S. and Cassidy-Hanley, Donna M. and Clark, Theodore G.} } @article { ISI:000286862200021, title = {Concise enantioselective synthesis of (+)-goniodiol and (+)-8-methoxygoniodiol via Co-catalyzed HKR of anti-(2SR, 3RS)-3-methoxy-3-phenyl-1, 2-epoxypropane}, journal = {Tetrahedron Letters}, volume = {52}, number = {3}, year = {2011}, month = {JAN}, pages = {438-440}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short, enantioselective synthesis of (+)-goniodiol and (+)-8-methoxygoniodiol, cytotoxic styryllactones, has been achieved in high optical purities (99\% ee). The strategy employs Co-catalyzed HKR of racemic anti-(2SR, 3RS)-3-methoxy-3-phenyl-1,2-epoxypropane and Lewis acid-mediated diastereoselective allylation of aldehyde as chiral inducing key reactions. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Allylation, diastereoselectivity, Hydrolytic kinetic resolution, Racemic anti-epoxide, Styryllactones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.085}, author = {Kiran, I. N. Chaithanya and Reddy, R. Santhosh and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000293230300022, title = {Concurrent display of both alpha- and beta-turns in a model peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {16}, year = {2011}, month = {MAY}, pages = {5762-5765}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This article describes a model peptide that concurrently displays both alpha- and beta-turns, as demonstrated by structural investigations using single crystal X-ray crystallography and solution-state NMR studies. The motif reported herein has the potential for the design of novel conformationally ordered synthetic oligomers with structural architectures distinct from those classically observed.

}, issn = {1477-0520}, doi = {10.1039/c1ob05553d}, author = {Srinivas, Deekonda and Vijayadas, Kuruppanthara N. and Gonnade, Rajesh G. and Phalgune, Usha D. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000285749800008, title = {Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {2}, year = {2011}, month = {NOV}, pages = {367-369}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the development of conformationally constrained unnatural aromatic amino acids, constructed on rigid backbone wherein the carboxyl and amino groups project in two dimensions (planes) on the aromatic framework. Such a feature offers the possibility of design and development of conformationally ordered synthetic oligomers with intriguing structural architectures distinct from those classically observed. Furthermore, such amino acids will have the potential to extend the conformational space available for foldamer design with diverse backbone conformation and structural architectures.

}, issn = {1477-0520}, doi = {10.1039/c0ob00593b}, author = {Ramesh, Veera V. E. and Roy, Arup and Vijayadas, Kuruppanthara N. and Kendhale, Amol M. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI: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:000287363500022, title = {Cytotoxicity of sophorolipid-gellan gum-gold nanoparticle conjugates and their doxorubicin loaded derivatives towards human glioma and human glioma stem cell lines}, journal = {Nanoscale}, volume = {3}, number = {2}, year = {2011}, month = {JAN}, pages = {575-580}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Biocompatible gold nanoparticles were synthesized by using a naturally occurring gum-Gellan Gum-as a capping and reducing agent. These were further conjugated with sophorolipids which again were accessed through a biochemical transformation of a fatty acid. The cellular uptake of sophorolipid-conjugated gellan gum reduced gold nanoparticles and their cytotoxicity on human glioma cell line LN-229 and human glioma stem cell line HNGC-2 were investigated. Quite surprisingly even the simple sophorolipid-conjugated gellan gum reduced/capped gold nanoparticles showed greater efficacy in killing the glioma cell lines and, gratifyingly, the glioma stem cell lines also. The cytotoxic effects became more prominent once the anti cancer drug doxorubicin hydrochloride was also conjugated to these gold nanoparticles.

}, issn = {2040-3364}, doi = {10.1039/c0nr00598c}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Prabhune, Asmita and Pokharkar, Varsha and Shiras, Anjali and Bhagavatula L. V. Prasad} } @article { ISI:000286904800076, title = {Degradation of methylene blue via photocatalysis of transition metal-loaded sulfated TiO2}, journal = {Materials Chemistry and Physics}, volume = {125}, number = {3}, year = {2011}, month = {FEB}, pages = {807-812}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Transition metal-loaded nanocrystalline SO42-/TiO2 powders were prepared by sol-gel method. Anatase is found as the active phase in all the samples. Sulfation process clearly stabilizes TiO2 catalyst phase against sintering, maintaining anatase phase and relatively high surface area values with respect to pure TiO2. Wide structural and surface characterization of samples was carried out in order to establish a correlation between the effect of sulfation and metal incorporation on the TiO2 photocatalytic properties. The maximum photocatalytic decomposition of methylene blue solution was achieved with sulfation of TiO2. In addition, incorporation of metal into the structure of SO42-/TiO2 seems to enhance the photocatalytic activity of the samples, which is ascribed to the enlargement of specific surface area, photogenerated carriers separation, light absorption, as well as the higher surface acidity. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {nanomaterial, Photocatalytic activity, sol-gel process}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.09.053}, author = {Gambhire, A. B. and Lande, Machhindra K. and Arbad, B. R. and Rathod, S. B. and Gholap, Ramkrishna S. and Patil, K. R.} } @article { ISI: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:000292377500011, title = {Development of non-woven nanofibers of egg albumen-poly (vinyl alcohol) blends: influence of solution properties on morphology of nanofibers}, journal = {Polymer Journal}, volume = {43}, number = {7}, year = {2011}, month = {JUL}, pages = {654-661}, publisher = {NATURE PUBLISHING GROUP}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, abstract = {

Egg albumen (EA), a highly functional globular protein with desirable properties, is the least-explored material for biomaterial applications, although it is available in abundance. In our studies, we explored the viability of EA and various blends with biocompatible and non-toxic poly (vinyl alcohol) (PVA) to produce nanofibers for biomedical applications. EA and PVA blends were prepared in various compositions. Electrospinning was used to fabricate non-woven nanofibers. Solution properties, such as viscosity and electrical conductivity, were evaluated for various prepared solutions. Solution viscosity increased with increasing polymer concentration. Solutions with higher contents of EA recorded increased conductivity, which decreased with increasing PVA content. The influence of solution properties on the morphological appearance of as-spun products was studied using scanning electron microscopy. Instead of nanofibers, nanoparticles and microparticles of EA were produced at even higher contents. In contrast, a gradual increase in the addition of PVA content to 8\% EA solution resulted in the transformation of particles from large agglomerates to very fine fibers (approximate to 100nm in diameter) because of the influence of polymer content, viscosity and conductivity. The polymer-polymer interactions in the prepared materials have been validated by Fourier transform infrared spectroscopy, differential scanning calorimetry, X-ray diffraction and gel electrophoresis. Polymer Journal (2011) 43, 654-661; doi:10.1038/pj.2011.34; published online 18 May 2011

}, keywords = {Biocompatibility, biodegradable, blends, nanotechnology, Proteins}, issn = {0032-3896}, doi = {10.1038/pj.2011.34}, author = {Rathna, Gundloori Venkata Naga and Jog, Jyoti Prakash and Gaikwad, A. B.} } @article { ISI:000288438500030, title = {Dibutyl phthalate, a secondary metabolite from mimusops elengi}, journal = {Chemistry of Natural Compounds}, volume = {46}, number = {6}, year = {2011}, month = {JAN}, pages = {955-956}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0009-3130}, doi = {10.1007/s10600-011-9793-8}, author = {Ruikar, A. D. and Gadkari, T. V. and Phalgune, U. D. and Puranik, Vedavati G. and Deshpande, N. R.} } @article { ISI: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:000295890100012, title = {Divergent Pd(II) and Au(III) mediated nitroalkynol cycloisomerizations}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {21}, year = {2011}, month = {JUN}, pages = {7327-7334}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new cycloisomerization reaction comprising the simultaneous addition of nitro and alcohol groups across C C leading to skeletally diverse small molecules is documented.

}, issn = {1477-0520}, doi = {10.1039/c0ob00858c}, author = {Patel, Pitambar and Ramana, Chepuri V.} } @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:000287058200011, title = {Dopant induced effect on electrocatalytic reduction of nitrobenzene using conducting polypyrrole thin film electrodes}, journal = {Journal of Applied Polymer Science}, volume = {120}, number = {2}, year = {2011}, month = {APR}, pages = {719-724}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Conducting polypyrrole electrodes were prepared by electrochemical polymerization of pyrrole on vacuum-metallized glass substrates. These electrodes were modified by doping with a range of metal halides as dopant ions having different electronegativity. Electrochemical reduction of nitrobenzene using these electrodes was studied by means of cyclic voltammetry technique in acetonitrile medium containing aqueous HClO(4) (0.1M) as supporting electrolyte. It was found that the electronegativity of the dopant ion played a very important role in the electrocatalytic activity. Polypyrrole doped with nickel chloride gave the highest anodic current at the reduction potential of nitrobenzene. The results were explained on the basis of charge transfer efficiency at the electrode-electrolyte interface, which was associated with the acceptor state created by the dopant in the semi-conducting polymer. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 120: 719-724, 2011

}, keywords = {charge transfer, conducting polymer, Doping, electrocatalysis, nitrobenzene, polypyrrole, reduction}, issn = {0021-8995}, doi = {10.1002/app.31417}, author = {Adhikari, Arindam and Radhakrishnan, S.} } @article { ISI:000295831700027, title = {Early stages of unwinding of zwitterionic alpha-helical homopolymeric peptides}, journal = {Chemical Physics Letters}, volume = {514}, number = {4-6}, year = {2011}, month = {OCT}, pages = {330-335}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Unwinding mechanisms of helices of the zwitterionic polyalanine, polyleucine, and polylysine were studied using classical molecular dynamics simulation at 300 K temperature. Interestingly the helices of polyalanine and polyleucine start to unwind from the terminals, which is further relayed to the middle of the chain with time. Polylysine helix also starts to unwind from the terminals of the alpha-helical chain but the unwinding is not relayed to the middle. The reason behind this observation is investigated whether the presence of -NH(2) groups in the side chain of polylysine is influencing the unwinding. Two competitive mechanisms, fluctuation of the terminal residues and exchange of H-bonds between residues and water trigger the process of unwinding. (C) 2011 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2011.08.050}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @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:000287466900022, title = {Effect of tethering on the structure-property relationship of TPU-dual modified laponite clay nanocomposites prepared by ex-situ and in-situ techniques}, journal = {Polymer}, volume = {52}, number = {4}, year = {2011}, month = {FEB}, pages = {1071-1083}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Novel Thermoplastic Polyurethane (TPU)-dual modified Laponite clay nanocomposites were prepared by ex-situ and in-situ techniques. Two types of modified clays used in this work differ from each other by the number of active functional groups (tethering). Modified nanoclays are characterized by FTIR, Solid State NMR, XRD and TGA. Structural differences in the modified clays lead to novel tubular, elliptical and spherically aggregated morphologies of clays together with the hard segments of TPU. Changes in such morphology result in the difference in segmental relaxation, mechanical and rheological properties of the nanocomposites. In-situ prepared nanocomposites register inferior properties as compared to their ex-situ counterparts. The percent improvement in tensile strength and elongation at break of the ex-situ prepared nanocomposites with the modified clay having lesser tethering are found to be 67\% and 208\%, respectively. Thermal stability is enhanced by 35 degrees C as compared to that of the neat TPU. (C) 2010 Published by Elsevier Ltd.

}, keywords = {Dual modification, Nanocomposites, Thermoplastic polyurethane}, issn = {0032-3861}, doi = {10.1016/j.polymer.2010.10.010}, author = {Mishra, Ananta K. and Chattopadhyay, Santanu and Rajamohanan, P. R. and Nando, Golok B.} } @article { ISI:000289315700010, title = {Effect of triples to dipole moments in fock-space multireference coupled cluster method}, journal = {Journal of Chemical Theory and Computation}, volume = {7}, number = {4}, year = {2011}, month = {APR}, pages = {876-883}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this paper, we present the new implementation of partial triples for the dipole moment of doublet radicals in Lagrangian formulation of Fock-space multireference coupled cluster (A-FSMRCC) response method. We have implemented a specific scheme of noniterative triples, in addition to singles and doubles schemes, which accounts for the effects appearing at least at the third order in dipole moments. The method is applied to the ground states of OH, OOH, HCOO, CN, CH, and PO radicals.

}, issn = {1549-9618}, doi = {10.1021/ct1007263}, author = {Ravichandran, Lalitha and Vaval, Nayana and Pal, Sourav} } @article { ISI:000291182100026, title = {Efficiency and recycling capability of montmorillonite supported Fe-Ni bimetallic nanocomposites towards hexavalent chromium remediation}, journal = {Applied Catalysis B-Environmental}, volume = {104}, number = {3-4}, year = {2011}, month = {MAY}, pages = {407-414}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The remediation of Cr(VI) from simulated water streams is investigated using Fe-Ni bimetallic nanoparticles (Fe-Ni NPs) and their nanocomposites prepared with montmorillonite (MMT) clay. These nanocomposites are characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and Brunauer-Emmett-Teller (BET) surface area analyses. XRD analysis revealed proper dispersion as well as intercalation of Fe-Ni NPs in the clay matrix. TEM of nanocomposites showed the presence of spherical particles having a size of 20-40 nm. Batch experiments with a 25 mg L(-1) Cr(VI) solution and 2 g L-1 Fe-Ni NPs exhibited complete reduction of Cr(VI) within 10 min that follows first order reaction kinetics. Amongst 25\%, 50\%, 75\% in situ and loaded nanocomposites, 75\% compositions possess better activity with enhanced reduction capacity below pH 4 due to generation of reactive H center dot species. XPS analysis of nanocomposites after Cr(VI) treatment suggested that reduction process occurs through Cr(111) formation followed by its subsequent reduction to Cr(0). Their potentiality towards reusage is established from the recycling experiments that revealed the order of efficiency as 75\% in situ \> Fe-Ni NPs \> 75\% loaded nanocomposites. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Cr(VI) remediation, Iron-nickel bimetallics, Montmorillonite, Nanocomposites, Recycling}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2011.02.011}, author = {Kadu, Brijesh S. and Sathe, Yogesh D. and Ingle, Abhijit B. and Chikate, Rajeev C. and Patil, Kashinath R. and Rode, Chandrashekhar V.} } @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: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: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:000293516200052, title = {Enthalpic approach to delineate the interactions of cations of imidazolium-based ionic liquids with molecular solvents}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {32}, year = {2011}, month = {JUN}, pages = {14715-14722}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We present a systematic investigation on the enthalpic assessment of the interactions operating between the cation and anion of four imidazolium ionic liquids with aqueous and various nonaqueous solvents. Accurate experimental information gathered with the help of an isothermal titration calorimeter at 298.15 K has been analyzed for excess partial molar enthalpy of the ionic liquid, H(IL)(E), in terms of hydrophobic and solvation effects. The variations in the limiting excess partial molar enthalpy of the ionic liquid, H(IL)(E infinity), have been correlated with solvent properties. We have quantified the enthalpic effects due to dissociation of ionic liquids in very dilute solutions and to clathrate formation with the increasing concentration of ionic liquid. A change in enthalpic behavior from endothermic to exothermic is observed on increasing the carbon chain length attached to the imidazolium ring. The solvent reorganization around the cationic species has been unraveled by employing the ionic liquid interaction parameters called as H(IL-IL)(E) deduced from the H(IL)(E) data. The apparent relative molar enthalpy, phi(L), derived from H(IL)(E) data has been examined in the light of the specific ion interaction theory as advanced by Pitzer with accurate results.

}, issn = {1463-9076}, doi = {10.1039/c1cp20888h}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000294373200122, title = {Environmental potential applications of alkali metal exchanged zeolite x in carbon dioxide adsorption}, journal = {Research Journal of Chemistry and Environment }, volume = {15}, number = {2}, year = {2011}, month = {JUN}, pages = {661-671}, publisher = {DR JYOTI GARG}, address = {SECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIA}, abstract = {

The increasing atmospheric CO2 concentration, mainly caused by the Thermal Power Stations, Industrial sector and fossil fuel combustion, has led to consequences of global warming. Zeolitic adsorption processes is more promising, energy saving and viable method for CO2 removal in Comparison to other technologies. In order to examine the behavior and to establish the trends in carbon dioxide sorption, NaX zeolite (Si/Al = 1.15) and it{\textquoteright}s the modified forms with identical degree (55.5 +/- 2.5) of exchange by K+, Rb+ and Cs+ cations have been selected., The samples were characterized by powder XRD, Low temperature nitrogen adsorption/desorption measurements, chemical analysis and also for the intermediate electronegativity and the partial charges on the atoms using Sanderson{\textquoteright}s electronegativity equalization principle. The isotherms of carbon dioxide using these NaX, NaKX, NaRbX and NaCsX samples were measured at an interval of 30 K in the temperature range of 273 to 363 K up to 600 Torr. The uptake of CO2 was found to depend on both, the size of the nonframework cation and the temperature at which the isotherms were measured. The cations with lower charge density will have lower extent of electrostatic interaction with the sorbate molecules. Since CO2 has more linear quadrupole moment, it interacts mainly with the extra-framework cations and framework oxygen. The carbon dioxide sorption data satisfactorily represented by Langmuir and also analyzed for the chemical affinity. The Isosteric heat (q(st)) of NaX for the coverage of 20 molecules per unit cell is nearly equal to 26 kJ, mol(-1). The NaX and NaKX comparatively show a flat heat profile with the increasing amount sorbed than those of NaRbX and NaCsX indicating a balance between the strength of energetic heterogeneity of sorbate-sorbent interactions and sorbate-sorbate interactions.

}, keywords = {CO2 sorption, Ionic exchange, Isosteric heat, NaX zeolite, Theoretical models}, issn = {0972-0626}, author = {Joshi, U. D. and Joshi, P. N. and Roh, H. S. and Yoon, W. L. and Shiralkar, V. P.} } @article { ISI:000287716400004, title = {Expression analysis of cinnamoyl-CoA reductase (CCR) gene in developing seedlings of Leucaena leucocephala: A pulp yielding tree species}, journal = {Plant Physiology and Biochemistry}, volume = {49}, number = {2}, year = {2011}, month = {FEB}, pages = {138-145}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Removal of lignin is a major hurdle for obtaining good quality pulp. Leucaena leucocephala (subabul) is extensively used in paper industry in India; therefore, as a first step to generate transgenic plants with low lignin content, cDNA and genomic clones of CCR gene were isolated and characterized. The cDNA encoding CCR (EC 1.2.1.44) was designated as LI-CCR; the sequence analysis revealed an Open Reading Frame (ORF) of 1005 bp. Phylogenetic analysis showed that LI-CCR sequence is highly homologous to CCRs from other dicot plants. The 2992 bp genomic clone of Leucaena CCR consists of 5 exons and 4 introns. The haploid genome of L leucocephala contains two copies as revealed by DNA blot hybridization. LI-CCR gene was over-expressed in Escherichia coli, which showed a molecular mass of approximately 38 kDa. Protein blot analysis revealed that LI-CCR protein is expressed at higher levels in root and in stem, but undetectable in leaf tissues. Expression of CCR gene in Leucaena increased up to 15 d in case of roots and stem as revealed by QRT-PcR studies in 0-15 d old seedlings. ELISA based studies of extractable CCR protein corroborated with QRT-PCR data. CCR protein was immuno-cytolocalized around xylem tissue. Lignin estimation and expression studies of 5,10 and 15 d old stem and root suggest that CCR expression correlates with quantity of lignin produced, which makes it a good target for antisense down regulation for producing designer species for paper industry. (C) 2010 Elsevier Masson SAS. All rights reserved.

}, keywords = {Cinnamoyl-CoA reductase, Developing seedling, Leucaena leucocephala, Lignin biosynthesis}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2010.11.001}, author = {Srivastava, Sameer and Gupta, Ranadheer K. and Arha, Manish and Vishwakarma, Rishi K. and Rawal, Shuban K. and Kishor, P. B. Kavi and Khan, Bashir Mohammad} } @article { ISI:000294874800029, title = {Factors Influencing the Kinetics of Esterification of Fatty Acids over Solid Acid Catalysts}, journal = {Energy \& Fuels}, volume = {25}, number = {9}, year = {2011}, month = {SEP}, pages = {4106-4112}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The kinetics of esterification of fatty acids with alcohols over three different solid acid catalysts, viz., large pore zeolite-beta (H beta), micro-mesoporous Fe-Zn double-metal cyanide (DMC), and mesoporous Al-MCM-41, have been reported. Hydrophobicity of these catalysts increases in the order: Al-MCM-41 \< H beta \< DMC. The chain lengths of the fatty acid (C(8.0)-C(18.1)) and alcohol (C(1)-C(8)) molecules have been varied, and their influence on kinetic parameters has been studied. The present study reveals that porosity and surface hydrophobicity of the catalyst are the two important factors other than acid properties (concentration and strength of acid centers) that influence the esterification reaction.

}, issn = {0887-0624}, doi = {10.1021/ef2009138}, author = {Satyarthi, Jitendra Kumar and Radhakrishnan, Sambhu and Srinivas, Darbha} } @article { ISI:000293518300007, title = {From graphite oxide to highly water dispersible functionalized graphene by single step plant extract-induced deoxygenation}, journal = {Green Chemistry}, volume = {13}, number = {8}, year = {2011}, month = {JUL}, pages = {1990-1996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a single step facile synthesis of highly water dispersible functionalized graphene nanosheets by plant extract-induced deoxygenation of graphite oxide (GO). The results of various characterizations reveal that the properties of such plant extract-converted graphene nanosheets (PCGN) are comparable to chemically converted graphene nanosheets (CCG). These results open a green route to the emerging graphene-based technologies.

}, issn = {1463-9262}, doi = {10.1039/c1gc15393e}, author = {Mhamane, Dattakumar and Ramadan, Wegdan and Fawzy, Manal and Rana, Abhimanyu and Dubey, Megha and Rode, Chandrashekhar and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra} } @article { ISI:000286469900005, title = {Gamma-initiated oxidation of isotactic polypropylene: effect of gamma-dose rate on durability}, journal = {Arabian Journal for Science and Engineering}, volume = {36}, number = {1}, year = {2011}, month = {JAN}, pages = {29-38}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

The effect of gamma-irradiation dose rate on the chemical, molecular, and mechanical properties of isotactic polypropylene (iPP) films was investigated using three different Co-60 sources with dose rates of 600, 660, and 780 Gy h(-1). Fourier transform infrared spectroscopy coupled with chemical derivatization with NO and SF4, and measurements of the elongation at break, toughness, and molecular weight were used to describe the effects of gamma-dose rate on iPP. It was found that the formation of oxidation products depended significantly on the dose rate. However, the kinetic accumulation of ketones were more sensitive to the dose rate of gamma source. Degradation induced by gamma-radiation depends on the dose rate-the degradation of mechanical properties was more significant at a low dose rate than at a high dose rate. It was found that the lower the dose rate, the higher the degree of oxidation in terms of the formation of gamma-products. The mechanism of gamma-degradation is discussed based on the correlation between the changes in chemical and physical properties upon exposure to gamma-radiation.

}, keywords = {Chemical and physical properties, Dose rate, gamma-irradiation, polypropylene}, issn = {1319-8025}, doi = {10.1007/s13369-010-0006-8}, author = {Alariqi, Sameh A. S. and Singh, R. P. and Rao, B. S. M.} } @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:000288644700053, title = {Headgroup mediated water insertion into the DPPC billayer: a molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {12}, year = {2011}, month = {MAR}, pages = {3155-3163}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Molecular dynamics simulation was performed on the 1,2-dipalmitoyl-sn-phosphocholine (DPPC) bilayer-water system using the GROMOS96 53a6 united atom force field. The transferability of force field was tested by reproducing the area per lipid within 3\% accuracy from the experimental value. The simulation shows that water can penetrate much deeper inside the bilayer almost up to the starting point of the aliphatic chain. There is significant evidence from experiments that water goes deep in the DPPC bilayer, but it has not been reported from theoretical work. The mechanism of insertion of water deep inside the lipid bilayer is still not clear. In this report, for the first time the mechanism of water insertion deep into the bilayer has been proposed. Water transport occurs by the headgroup and its first solvation shell. The trimethyl ammonium (NMe3) group (headgroup of DPPC) has two stable conformations at the bilayer-water interface, one outside the bilayer and another inside it. The NMe3 group has a large clustering of water around it and takes the water molecules inside the bilayer with it during its entry into the bilayer. The water molecules penetrate into the bilayer with the help of the NMe3 group present at the headgroup of DPPC and eventually form hydrogen bonds with carbonyl oxygen present deep inside the bilayer. Structural characteristics at the bilayer-water interface region are also reported.

}, issn = {1520-6106}, doi = {10.1021/jp1090203}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000299066700002, title = {Hierarchical mesoporous bio-polymer/silica composites co-templated by trimethyl chitosan and a surfactant for controlled drug delivery}, journal = {Medchemcomm}, volume = {2}, number = {12}, year = {2011}, month = {DEC}, pages = {1162-1166}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this communication, we report the facile synthesis of hierarchical mesoporous bio-polymer/silica composite materials with bimodal mesopores using a dual-template of the cationic N,N,N-trimethyl chitosan (TMCs) and the anionic sodium dodecyl sulfate (SDS) via one-step synthetic strategy. Tetraethoxysilane (TEOS) was used as a silica source. The nitrogen adsorption/desorption measurements and transmission electron microscopy analysis showed the hierarchical structure of the mesoporous bio-polymer/silica composites with bimodal mesopores having an average pore size of 5-7 nm with the visible voids between the silica nanoparticles, which allow the mesoporous bio-polymer/silica composites to encapsulate a large number of guest drug molecules, Ibuprofen (IBU) or 5-fluorouracil (5-FU), due to their high surface area and pore volume. In addition, the mesoporous chitosan-silica composites also had a long term biocompatibility for the target release of the drug molecules to the CEM cells, MCF cells, etc. as well as a pH sensitive controlled release behavior of the drug molecules.

}, issn = {2040-2503}, doi = {10.1039/c0md00222d}, author = {Rana, Vijay Kumar and Park, Sung Soo and Parambadath, Surendran and Kim, Mi Ju and Kim, Sun-Hee and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000286856600053, title = {Hydrolysis of vegetable oils and fats to fatty acids over solid acid catalysts}, journal = {Applied Catalysis A-General}, volume = {391}, number = {1-2, SI}, year = {2011}, month = {JAN}, pages = {427-435}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid Fe-Zn double-metal cyanide (DMC) complexes exhibit high catalytic activity for hydrolysis of edible and non-edible vegetable oils and animal fat. In a batch reaction, complete conversion of vegetable oil triglycerides to fatty acids with selectivity greater than 73 wt\% was obtained at temperatures as low as 463 K, autogenous pressure and with 5 wt\% of catalyst. Catalytic activity of DMC was superior to Amberlyst (TM) 70, SAPO-11, H-beta, HY, MoO(x)/Al(2)O(3) and sulfated zirconia. Rates of hydrolysis were greatly enhanced when solvents (tetrahydrofuran or N,N-dimethylformamide), phase transfer agents (tetrapropyl ammonium bromide) and products (a mixture of mono-/diglycerides and fatty acids) or fatty acid was added to the feed. Surface hydrophobicity which enables high wettability and activation of glycerides on active, acidic sites of reusable DMC is attributed to be the major cause for its superior catalytic activity. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Double-metal cyanide complex, Fat splitting, Fatty acids, Hydrolysis of vegetable oils and fats, solid acid catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2010.03.047}, author = {Satyarthi, J. K. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000295149400011, title = {In situ encapsulation of Pt nanoparticles in mesoporous silica: synthesis, characterisation and effect of particle size on CO oxidation}, journal = {Applied Catalysis A-General}, volume = {403}, number = {1-2}, year = {2011}, month = {AUG}, pages = {91-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt nanoparticles of narrow size distribution and average particle size of 4.4 nm are isolated exclusively inside SBA-12 mesoporous silica by a novel in situ method. The interaction of Pt precursor with surfactant-polymer composite micelle is followed by NMR and UV studies. The final Pt incorporated silica material is characterised by XRD, TEM and N(2) adsorption. The mesoporous nature of the silica is found to be intact after Pt incorporation without any pore blockage. CO oxidation activity of this material is compared with that of mesoporous silica incorporating different sizes of Pt viz., 1.8, 3.6 and 8 nm. Activation energies of CO oxidation for all these materials are calculated by a simple differential method based on first principles. A comparison of activation energies and single site yields reveals that these parameters are distinguishably less in catalyst containing 1.8 nm Pt nanoparticles but more or less same in catalysts containing 3.6, 4.4 and 8 nm Pt nanoparticles. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {CO oxidation, In situ synthesis, Mesoporous silica, Pt nanoparticle}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.06.016}, author = {Prashar, Atul K. and Mayadevi, S. and Rajamohanan, P. R. and Devi, R. Nandini} } @article { ISI:000292059600022, title = {Influence of carbon-based nanofillers on the melt flow singularity of linear polyethylene}, journal = {Polymer}, volume = {52}, number = {14}, year = {2011}, month = {JUN}, pages = {3163-3174}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A quantitative power law relationship between molecular weight and flow criticalities is uncovered that links stick-slip theory with the melt flow singularity observed during capillary flow. The singularity arises from decrease in pressure during melt flow of linear polyethylene through capillary die in a narrow temperature window. The molecular origin of the window effect is attributed to slip flow arising from disengagement of chains adsorbed to melt-wall interface from free chains in melt. Considering the similar molecular configuration of the linear polyethylene and carbon nanotubes (CNTs), the stretched chain conformation of the adsorbed chains in the presence of CNTs is influenced. The potential to broaden the window temperature interval in the presence of CNTs is explored. For the study, multi-walled carbon nanotubes (MWCNTs) are added in the linear polyethylene. The influence of the filler aspect ratio on the window effect is further investigated in the presence of carbon black (CBs). The presence of MWCNTs broadens the window temperature interval and increases the decrease in pressure. Contrary to MWCNTs in the presence of CBs the extrusion window narrows and reduction in the pressure-decrease occurs. It is also found that the two carbon nanofillers have a significant impact on flow-induced solidification. Both, the crystallisation rate and the onset temperature of crystallisation, increase with the loading of the two nanofillers. A closer comparison between the two carbon nanofillers at the same loading suggests that the crystallisation is more influenced in MWCNT-PE composites. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Capillary flow, Carbon fillers, Polyethylene}, issn = {0032-3861}, doi = {10.1016/j.polymer.2011.04.046}, author = {Xu, Han and Lele, Ashish K. and Rastogi, Sanjay} } @article { ISI:000287685100009, title = {Influence of Mg2+ substitution on the magnetic and electrical properties of Li-Zn ferrite thick films synthesized with PVA matrix}, journal = {Microelectronics International}, volume = {28}, number = {1}, year = {2011}, month = {JAN}, pages = {58-65}, publisher = {EMERALD GROUP PUBLISHING LIMITED}, address = {HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND}, abstract = {

Purpose - The purpose of this paper is to investigate the effect of Mg2+ substitution on the magnetic and electrical properties of Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 thick films synthesized with polyvinyl alcohol (PVA) matrix. Design/methodology/approach - The nanoferrites Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 (x = 0, 0.07, 0.14, 0.21, 0.28 and 0.35) were synthesized by chemical technique using aqueous solution of PVA (the matrix) and thick films were fabricated by screen printing technique. The DC magnetic hysteresis measurements, AC magnetic susceptibility and DC electrical resistivity were measured as a function of temperature. Findings - The lattice parameter of thick film Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 (x = 0, 0.07, 0.14, 0.21, 0.28 and 0.35) increases with the substitution of Mg2+ ions for Li1+ and Fe3+. The surface morphology of the thick films showed the grain size increasing with Mg2+ substitution till x = 0.21 and then decreasing for the higher concentrations of magnesium. The magnetic moment n(B) (mu(B)) computed from the M-s obtained by extrapolation of the magnetization curve showed a gradual decrease with the composition till x = 0.21, beyond which a sudden decrease was observed. The resistivity of the films at room temperature had variation with composition x, similar to that of magnetic moment. The activation energies Delta E-F and Delta E-P were found to vary with composition x of the ferrite system. Originality/value - The paper reports, for the first time, the magnetic and electrical properties of fritless Li0.35-xMg2xZn0.3Fe2.35-xO4 thick films using PVA polymer matrix. Up to x = 0.21 (Mg2+), grain size increases and Curie temperature decreases beyond which reverse effect takes place.

}, keywords = {Alternating current, Direct current, Electrical properties, Films (states of matter), Magnetic moments}, issn = {1356-5362}, doi = {10.1108/13565361111097128}, author = {Rendale, M. K. and Kulkarni, S. D. and Kulkarni, D. C. and Puri, Vijaya} } @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:000294237100001, title = {Lanthanum and zinc incorporated hydrotalcites as solid base catalysts for biodiesel and biolubricants production}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {50}, number = {8}, year = {2011}, month = {AUG}, pages = {1017-1025}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Mg-Al hydrotalcites doped with varying amounts of lanthanum and zinc ions (10 30 mol \%) have been prepared by co-precipitation method and used, after calcination at 873 K, as solid base catalysts for transesterification of soybean oil with methanol (producing biodiesel) and n-octanol (producing biolubricants). The catalyst with 20 mol \% of lanthanum shows the highest transesterification activity (soybean oil conversion = 100 \% and biodiesel yield = 95 \%) at 423 K in 4 h. Catalytic activity varies in proportion with the basicity of the catalysts.

}, keywords = {Biodiesel, Biolubricants, catalysis, Doped hydrotalcites, Hydrotalcites, Lanthanum, Solid base catalysts, transesterification, Vegetable oils, zinc}, issn = {0376-4710}, author = {Rahul, R. and Satyarthi, Jitendra K. and Srinivas, D.} } @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:000293741800076, title = {Magnetic and electric responsive hydrogel-magnetic nanocomposites for drug-delivery application}, journal = {Journal of Applied Polymer Science}, volume = {122}, number = {2}, year = {2011}, month = {OCT}, pages = {1364-1375}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Magnetic and electrically responsive hydrogel networks were developed for drug-delivery applications. The hydrogel matrices were synthesized by the polymerization of acrylamide monomer in the presence of carboxymethylcellulose (CMC) or methylcellulose (MC) with N,N-methylenebisacrylamide, a crosslinker with the redox initiating system ammonium persulfate/tetramethylethylenediamine. The magnetic nanoparticles were generated throughout these hydrogel matrices by an in situ method by the incorporation of iron ions and their subsequent reduction with ammonia. A series of hydrogel-magnetic nanocomposites (HGMNCs) were developed with various CMC and MC compositions. The synthesized HGMNCs were characterized with spectral (Fourier transform infrared and ultraviolet-visible spectroscopy), X-ray diffraction, thermal, and microscopy methods. These HGMNCs contained iron oxide (Fe3O4) nanoparticles with an average particle size of about 22 nm, as observed by transmission electron microscopy. The dielectrical properties of the pure hydrogel (HG); the hydrogel loaded with iron ions, or the hydrogel iron-ion composite (HGIC); and the HGMNCs were measured. These results suggest that HGMNCs exhibited higher dielectric constants compared to HG and HGICs. The curcumin loading and release characteristics were also measured for HG, HGIC, and HGMNC systems. These data revealed that there was a sustained release of curcumin from HGMNCs because of the presence of magnetic nanoparticles in the hydrogel networks. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 1364-1375, 2011

}, keywords = {hydrogels, magnetic polymers, Nanocomposites, nanoparticle, nanotechnology}, issn = {0021-8995}, doi = {10.1002/app.34016}, author = {Reddy, N. Narayana and Mohan, Y. Murali and Varaprasad, K. and Ravindra, S. and Joy, Pattayil Alias and Raju, K. Mohana} } @article { ISI:000290345300002, title = {Mapping of QTLs governing agronomic and yield traits in chickpea}, journal = {Journal of Applied Genetics}, volume = {52}, number = {1}, year = {2011}, month = {FEB}, pages = {9-21}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Chickpea is one of the most important leguminous cool season food crops, cultivated prevalently in South Asia and Middle East. The main objective of this study was to identify quantitative trait loci (QTLs) associated with seven agronomic and yield traits in two recombinant inbred line populations of chickpea derived from the crosses JG62xVijay (JV population) and VijayxICC4958 (VI population) from at least three environments. Single locus QTL analysis involved composite interval mapping (CIM) for individual traits and multiple-trait composite interval mapping (MCIM) for correlated traits to detect pleiotropic QTLs. Two-locus analysis was conducted to identify the main effect QTLs (M-QTLs), epistatic QTLs (E-QTLs) and QTL x environment interactions. Through CIM analysis, a total of 106 significant QTLs (41 in JV and 65 in VI populations) were identified for the seven traits, of which one QTL each for plant height and days to maturity was common in both the populations. Six pleiotropic QTLs that were consistent over the environments were also identified. LG2 in JV and LG1a in VI contained at least one QTL for each trait. Hence, concentrating on these LGs in molecular breeding programs is most likely to bring simultaneous improvement in these traits.

}, keywords = {Cicer arietinum, QTL analysis, QTL x environment interaction, Two-locus analysis, Yield traits}, issn = {1234-1983}, doi = {10.1007/s13353-010-0016-y}, author = {Gowda, S. J. M. and Radhika, P. and Mhase, L. B. and Jamadagni, B. M. and Gupta, V. S. and Kadoo, Narendra Y.} } @article { ISI:000295843900024, title = {MgCl2 center dot 6PhCH(2)OH - a new molecular adduct as support material for ziegler-natta catalyst: synthesis, characterization and catalytic activity}, journal = {Dalton Transactions}, volume = {40}, number = {41}, year = {2011}, month = {SEP}, pages = {10936-10944}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Benzyl alcohol has been used to prepare a single phase MgCl2 center dot 6BzOH molecular adduct as a support for an ethylene polymerization catalyst (Ziegler catalyst). The structural, spectroscopic and morphological aspects of the MgCl2 center dot 6BzOH molecular adduct and the Ziegler catalyst have been thoroughly studied by various physicochemical characterization techniques. The presence of MgO6 octahedrons due to the interaction of Mg2+ with six -OH groups of the benzyl alcohol is confirmed from a Raman feature at 703 cm(-1), and structural studies. The supported catalyst activity has been evaluated for the ethylene polymerization reaction. The lower polymerization activity of the titanated Ziegler-Natta catalyst compared with a standard catalyst is attributed to the strong interaction of titanium chloride with the support and associated electronic factors.

}, issn = {1477-9226}, doi = {10.1039/c1dt10786k}, author = {Gnanakumar, Edwin S. and Thushara, K. S. and Bhange, Deu S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000286904500164, title = {Microbial production of xylitol from D-xylose and sugarcane bagasse hemicellulose using newly isolated thermotolerant yeast Debaryomyces hansenii}, journal = {Bioresource Technology}, volume = {102}, number = {3}, year = {2011}, month = {FEB}, pages = {3304-3308}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A thermotolerant yeast capable of fermenting xylose to xylitol at 40 C was isolated and identified as a strain of Debaryomyces hansenii by ITS sequencing. This paper reports the production of xylitol from D-xylose and sugarcane bagasse hemicellulose by free and Ca-alginate immobilized cells of D. hansenii. The efficiency of free and immobilized cells were compared for xylitol production from D-xylose and hemicellulose in batch culture at 40 degrees C. The maximum xylitol produced by free cells was 68.6 g/L from 100 g/L of xylose, with a yield of 0.76 g/g and volumetric productivity 0.44 g/L/h. The yield of xylitol and volumetric productivity were 0.69 g/g and 0.28 g/L/h respectively from hemicellulosic hydrolysate of sugarcane bagasse after detoxification with activated charcoal and ion exchange resins. The Ca-alginate immobilized D. hansenii cells produced 73.8 g of xylitol from 100 g/L of xylose with a yield of 0.82 g/g and volumetric productivity of 0.46 g/L/h and were reused for five batches with steady bioconversion rates and yields. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Immobilization, Sugarcane bagasse hemicellulose, Thermotolerant Debaryomyces hansenii, xylitol, Xylose}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.10.074}, author = {Prakash, Gyan and Varma, Anjanikumar and Prabhune, Asmita and Shouche, Yogesh and Rao, Mala} } @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 {42766, title = {Nanoparticles that communicate in vivo to amplify tumour targeting}, journal = {Nature Materials}, volume = {10}, year = {2011}, month = {JUL}, pages = {545-552}, doi = {10.1038/NMAT3049}, author = {von Maltzahn, Geoffrey and Park, Ji-Ho and Lin, Kevin Y. and Singh, Neetu and Schwoeppe, Christian and Mesters, Rolf and Berdel, Wolfgang E. and Ruoslahti, Erkki and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article { ISI: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:000289763700002, title = {Novel solar light driven photocatalyst, zinc indium vanadate for photodegradation of aqueous phenol}, journal = {Materials Research Bulletin}, volume = {46}, number = {5}, year = {2011}, month = {MAY}, pages = {635-638}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Catalytic properties, Chemical synthesis, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2011.02.005}, author = {Mahapure, Sonali A. and Rane, Vilas H. and Ambekar, Jalindar D. and Nikam, Latesh K. and Marimuthu, R. and Kulkarni, Milind V. and Kale, Bharat B.} } @article { ISI:000295000900025, title = {Oxidative dehydrogenation of ethylbenzene using nitrous oxide over vanadia-magnesia catalysts}, journal = {Catalysis Science \& Technology}, volume = {1}, number = {7}, year = {2011}, month = {AUG}, pages = {1262-1270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of V-Mg-O catalysts with different loadings of vanadia were prepared by the wet impregnation method and the effect of the local structure of these catalysts on the oxidative dehydrogenation of ethylbenzene with N(2)O was investigated. High styrene selectivity (similar to 97\%) was obtained at 773 K. The characterization of catalysts with methods such as XRD, FTIR, UV-visible, TPR, NMR and Laser Raman spectroscopy suggested that magnesium orthovanadate is the predominant vanadium containing phase and the size of the orthovanadate domains increases with increasing vanadia loading. The rate of ODH of ethylbenzene per V atom increases with vanadia loading and reaches a maximum at 10 wt\%. The specific activity, i.e. the conversion of ethylbenzene per unit surface area of the catalysts, also exhibited a maximum at a vanadia loading of 10 wt\% leading to the conclusion that activity of these catalysts is due to the presence of very small domains of Mg(3)(VO(4))(2) on the surface of MgO rather than crystallites of bulk Mg(3)(VO(4))(2). The higher styrene yield in the presence of N(2)O can be ascribed to the ability of N(2)O to keep vanadium species at a higher oxidation state.

}, issn = {2044-4753}, doi = {10.1039/c1cy00168j}, author = {Shiju, N. Raveendran and Anilkumar, Mettu and Gokhale, S. P. and Rao, B. Seshagiri and Satyanarayana, C. V. V.} } @article { ISI:000292983400023, title = {[Pd]-mediated omega-alkynone cycloisomerization approach for the central tetrahydropyran unit and the synthesis of C(31)-C(48) fragment of aflastatin A}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {15}, year = {2011}, month = {APR}, pages = {5469-5475}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A concise assembly of the central tetrahydropyran unit of aflastatin A featuring a Pd-mediated alkynone cycloisomerization to provide a glycal and its subsequent stereoselective hydroboration to deliver the requisite stereochemistry at C(33) and C(34) centers is documented.

}, issn = {1477-0520}, doi = {10.1039/c1ob05251a}, author = {Narute, Sachin B. and Kiran, Neella Chandra and Ramana, Chepuri V.} } @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 { ISI:000288179600007, title = {Photoelectrochemical applications of In2Se3 thin films by chemical deposition}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {4}, year = {2011}, month = {APR}, pages = {359-364}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Indium selenide films have been synthesized by chemical bath deposition method onto stainless steel plate. The configuration of fabricated cell is n-In2Se3| NaOH(1 M) + S(1 M) + Na2S(1 M) |C-(graphite). Characterization of the photoelectrochemical cell was carried out by studying X-ray diffraction, current-voltage and capacitance-voltage characteristics in the dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that the In2Se3 thin films are n-type semiconductor. The junction ideality factor was found to be 3.24. The flat band potential and the barrier height were found to be 0.720 V and 0.196 eV, respectively. From the study of power output characteristics, open circuit voltage, short circuit current, fill factor and efficiency were found to be 310 mV, 20 mu A, 37.64 and 0.61\%, respectively. Photoresponse studies show that the lighted ideality factor is 2.78. Maximum current was observed at 575 nm.

}, issn = {0957-4522}, doi = {10.1007/s10854-010-0142-7}, author = {Hankare, P. P. and Rathod, K. C. and Asabe, M. R. and Jadhav, A. V. and Helavi, V. B. and Chavan, Santosh S. and Garadkar, K. M. and Mulla, Imtiaz S.} } @article { ISI:000287374800008, title = {Phytochemical investigation of artemisia pallens}, journal = {Helvetica Chimica Acta}, volume = {94}, number = {1}, year = {2011}, month = {JAN}, pages = {73-77}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Two new eudesmanolides, pallensin (1) and 4-epipallensin (2), along with a known eudesmanolide, santonin, and a known flavone, 4-epivalgarin, have been isolated from the aerial part of A. pallens. Their structures were established by detailed spectral studies (1D and 2D) and by comparison of their spectroscopic data with those of known compounds.

}, issn = {0018-019X}, doi = {10.1002/hlca.201000125}, author = {Ruikar, Anjali D. and Jadhav, Ravindra B. and Phalgune, Usha D. and Rojatkar, Supada R. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000291832800003, title = {Polyaniline modified electrodes for detection of dyes}, journal = {Synthetic Metals}, volume = {161}, number = {9-10}, year = {2011}, month = {MAY}, pages = {659-664}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Polyaniline (PANI) is one of the most extensively used conjugated polymers in the design of electrochemical sensors. In this study, we report electrochemical dye detection based on PANI for the adsorption of both anionic and cationic dyes from solution. The inherent property of PANI to adsorb dyes has been explored for the development of electrochemical detection of dye in solution. The PANI film was grown on electrode via electrochemical polymerization. The as grown PANI film could easily adsorb the dye in the electrolyte solution and form an insulating layer on the PANI coated electrode. As a result, the current intensity of the PANI film was significantly altered. Furthermore, PANI coated stainless steel (SS) electrodes show a change in the current intensity of Fe(2+)/Fe(3+) redox peaks due to the addition of dye in electrolyte solution. PANI films coated on both Pt electrodes and non-expensive SS electrodes showed the concentration of dye adsorbed is directly proportional to the current intensity or potential shift and thus can be used for the quantitative detection of textile dyes at very low concentrations. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Electrochemical sensor, Emeraldine base, Emeraldine salt, polyaniline}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2011.01.005}, author = {Mahanta, Debajyoti and Munichandraiah, N. and Radhakrishnan, S. and Madras, Giridhar and Patil, Satish} } @article { ISI:000291393900002, title = {Polymerization of ethylene to branched poly(ethylene)s using ansa-eta(5)-monofluorenyl cyclohexanolato zirconium(IV) complex/methylaluminoxane}, journal = {Polymer Bulletin}, volume = {67}, number = {3}, year = {2011}, month = {JUL}, pages = {383-399}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

ansa-eta(5)-Monofluorenyl cyclohexanolato zirconium complex 3 was shown to be active for the polymerization of ethylene when activated with methylaluminoxane (MAO) at 5 bar. Up to a polymerization temperature of 40 A degrees C, 3/MAO resulted in linear poly(ethylene)s with saturated chain ends. However, at polymerization temperatures of 60, 80, and 100 A degrees C, a mixture of branched poly(ethylene)s, linear alpha-olefins and long chain alkanes was obtained. The poly(ethylene)s produced at 80 and 100 A degrees C exhibited a bimodal molecular weight distribution indicative of multiple active species. Very high molecular weight (M (v) \> 5 x 10(5)) linear poly(ethylene)s were obtained using 3/MAO at 25 A degrees C.

}, keywords = {ansa-Monofluorenyl complex, Bimodal MWD, Branched poly(ethylene)s, Ethylene polymerization, Methyl aluminoxane}, issn = {0170-0839}, doi = {10.1007/s00289-010-0387-6}, author = {Rajesh, A. and Sivaram, S.} } @article { ISI:000295403700018, title = {Polymerization of ethylene using amido functional half-sandwich complexes of group 4 metals}, journal = {Polymer Engineering and Science}, volume = {51}, number = {10, SI}, year = {2011}, month = {OCT}, pages = {2103-2108}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Ligands (C(13)H(9))(2,6-R(2)C(6)H(3)NH)SiPh(2) [R = (i)Pr (2a), Me (2b)] were synthesized by single deprotonation of the amino group in 2,6-dialkylanilines with n-BuLi at -78 degrees C followed by reaction with fluorenyl diphenyl silyl chloride [FluSi(Ph(2))Cl]. Single crystal X-ray diffraction studies revealed different geometries around the nitrogen atom for the two compounds. Titanium and zirconium complexes (3a-3d) were prepared by double deprotonation of the ligands with n-butyl lithium (n-BuLi) followed by reaction with the respective metal chlorides, MCl(4) (THF)(2). Polymerization of ethylene was performed using these complexes as catalyst precursors along with methylaluminoxane (MAO) as an activator at 5 bar pressure. Complexes 3a-3d/MAO exhibited moderate catalyst activities for polymerization of ethylene and resulted in high molecular weight linear poly(ethylene)s (M(v) \> 4 3 10(5) g/mol). Catalyst activities were much lower when compared to similar N-alkyl substituted complexes presumably due to the resonance effect of the aromatic group on the amido nitrogen. POLYM. ENG. SCI., 51:2103-2108, 2011. (C) 2011 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.22132}, author = {Rajesh, A. and Sivaram, S.} } @article { ISI:000287274000022, title = {Purification and characterization of an alkaline protease by a new strain of Beauveria sp}, journal = {Process Biochemistry}, volume = {46}, number = {2}, year = {2011}, month = {FEB}, pages = {579-585}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A fungal culture isolated from animal dung was identified as a new strain of Beauveria sp MTCC 5184 based on 18S rDNA and ITS nucleotide sequence homology. The fungal isolate secretes alkaline protease active at pH 9 and 50 degrees C. The alkaline protease from Beauveria sp (BAP) was purified to homogeneity with 10.2-folds increase in specific activity and 38.6\% recovery. The molecular mass and isoelectric point of the protease were found to be 29 kDa and 9.3, respectively. The N-terminal sequence of the BAP showed only partial homology with subtilisin like proteases from other fungi. The enzyme was stable up to 40 degrees C and pH 3-11. The protease was inhibited by Cd(2+), Hg(2+) and Mn(2+). The activity was totally lost in the presence of 1 mM PMSF suggesting it to be a serine protease. The protease showed maximum activity with casein followed by haemoglobin and BSA. The purified protease is able to separate the endothelial cells and can be used in animal cell culture. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Alkaline Protease, Animal cell culture, Beauveria sp, Sequence homology}, issn = {1359-5113}, doi = {10.1016/j.procbio.2010.10.013}, author = {Shankar, Shiv and Rao, Mala and Laxman, Ryali Seeta} } @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:000291113200050, title = {Role of micro-structure and interfacial properties in the higher photocatalytic activity of TiO2-supported nanogold for methanol-assisted visible-light-induced splitting of water}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {23}, year = {2011}, month = {MAY}, pages = {11329-11339}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This paper deals with the textural, microstructural and interfacial properties of Au/TiO2 nanocomposites, in relation to their photocatalytic activity for splitting of water. TiO2 samples of two different morphologies were employed for dispersing different cocatalysts, such as: Au, Pt, Ag or Cu, for the sake of comparison. The samples were characterized using powder XRD, XPS, UV-visible, thermoluminescence, SEM, HRTEM and SAED techniques. Compared to other metal/TiO2 photocatalysts, Au/TiO2 with an optimum gold loading of 1 wt\% was found to exhibit considerably higher activity for visible light induced production of H-2 from splitting water in the presence of methanol. Further, the sol-gel prepared TiO2 (s.TiO2), having spherical grains of 10-15 nm size, displayed better photoactivity than a Degussa P25 catalyst. The electron microscopy investigations on s.TiO2 revealed significant heterogeneity in grain morphology of individual TiO2 particles, exposure of the lattice planes, metal dispersion, and the interfacial metal/TiO2 contacts. The gold particles were found to be in a better dispersed state. O-2 TPD experiments revealed that the gold nanoparticles and Au/TiO2 interfaces may serve as distinct binding sites for adsorbate molecules. At the same time, our thermoluminescence measurements provide an insight into Au-induced new defect states that may facilitate the semiconductor-to-metal charge transfer transition. In conclusion, the superior photocatalytic activity of Au/TiO2 may relate to the grain morphology of TiO2, dispersion of gold particles, and the peculiar architecture of metal/oxide heterojunctions; giving rise in turn to augmented adsorption of reactant molecules and their interaction with the photo-generated e(-)/h(+) pair. The role played by methanol as a sacrificial reagent in photocatalytic splitting of water is discussed.

}, issn = {1463-9076}, doi = {10.1039/c1cp21194c}, author = {Awate, S. V. and Deshpande, Suvarna S. and Rakesh, K. and Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000289716300080, title = {Role of promoters in copper chromite catalysts for hydrogenolysis of glycerol}, journal = {Catalysis Today}, volume = {164}, number = {1}, year = {2011}, note = {1st Joint International Conference of the 8th Tokyo Conference on Advanced Catalytic Science and Technology/5th Asia Pacific Congress on Catalysis, Sapporo, JAPAN, JUL 18-23, 2010}, month = {APR}, pages = {447-450}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Various copper chromite catalysts with and without promoters were prepared by simultaneous co-precipitation and digestion technique and the role of promoters (Al, Ba and Zn) was investigated for hydrogenolysis of glycerol to 1,2-propylene glycol (1,2-PG) in both batch and continuous operations. Among various promoters studied, copper chromite catalyst with Ba as a promoter showed the highest activity and selectivity of 85\% to 1,2-PG. This catalyst was found to be active for more than 800 h in a continuous operation also. Ammonia TPD results showed that barium promoted copper chromite catalyst had the highest acidity which facilitates the dehydration of glycerol to acetol which is the first step in hydrogenolysis of glycerol to 1,2-PG. The effect of barium content and variation in the promoters combination was also studied. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {1, 2-Propylene glycol, Acetol, Ammonia TPD, Glycerol hydrogenolysis, Surface acidity}, issn = {0920-5861}, doi = {10.1016/j.cattod.2010.10.032}, author = {Mane, R. B. and Ghalwadkar, Ajay A. and Hengne, Amol M. and Suryawanshi, Y. R. and Rode, C. V.} } @article { ISI:000290745300004, title = {Scaling laws for gas-solid riser flow through two-fluid model simulation}, journal = {Particuology}, volume = {9}, number = {2}, year = {2011}, month = {APR}, pages = {121-129}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Scale up of gas-solid circulating fluidized bed (CFB) risers poses many challenges to researchers. In this paper, CFD investigation of hydrodynamic scaling laws for gas-solid riser flow was attempted on the basis of two-fluid model simulations, in particular, the recently developed empirical scaling law of Qi, Zhu, and Huang (2008). A 3D computational model with periodic boundaries was used to perform numerical experiments and to study the effect of various system and operating parameters in hydrodynamic scaling of riser flow. The Qi scaling ratio was found to ensure similarity in global parameters like overall cross-sectional average solid holdup or pressure drop gradient. However, similarity in local flow profiles was not observed for all the test cases. The present work also highlighted the significance of error bars in reporting experimental values. (C) 2010 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

}, keywords = {CFD, Error bar, Periodic boundary, Risers, Scaling, Two-fluid model}, issn = {1674-2001}, doi = {10.1016/j.partic.2010.09.010}, author = {Naren, P. R. and Ranade, Vivek. V.} } @article { ISI:000287996100027, title = {Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide}, journal = {Applied Catalysis A-General}, volume = {394}, number = {1-2}, year = {2011}, month = {FEB}, pages = {209-214}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide (scCO(2)) has been investigated. The catalyst used was a chromium containing mesoporous molecular sieve catalyst viz. CrMCM-41. Comparison studies were performed with CoMCM-41. PtMCM-41 and PdMCM-41 catalysts. Among the various catalysts studied. CrMCM-41 showed a high conversion of geraniol and an excellent selectivity for citral. In contrast CoMCM-41, PtMCM-41 and PdMCM-41 catalysts exhibited low conversion of geraniol. However all three catalysts compared showed similar citral selectivity to CrMCM-41. The effect of CO(2) pressure and reaction temperature geraniol oxidation was studied with CrMCM-41. Supercritical CO(2) medium was found to enhance the conversion of geraniol and/or yield of citral. It was noticed that the catalyst can be recycled with negligible loss of conversion. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Citral, Geraniol, heterogeneous catalyst, Molecular oxygen, Selective oxidation, Supercritical carbon dioxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.01.001}, author = {Dapurkar, Sudhir E. and Kawanami, Hajime and Chatterjee, Maya and Rode, Chandrasekhar V. and Yokoyama, Toshirou and Ikushima, Yutaka} } @article { ISI: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:000295422000005, title = {Sesquiterpene lactone, a potent drug molecule from artemisia pallens wall with anti-inflammatory activity}, journal = {Arzneimittel-Forschung-Drug Research}, volume = {61}, number = {9}, year = {2011}, month = {DEC}, pages = {510-514}, publisher = {ECV-EDITIO CANTOR VERLAG MEDIZIN NATURWISSENSCHAFTEN}, address = {BANDELSTOCKWEG 20, POSTFACH 1255, D-88322 AULENDORF, GERMANY}, abstract = {

The present study was carried out to investigate the anti-inflammatory activities of bioactive secondary metabolites of Artemisia pallens Wall, an aromatic herb from family Asteraceae. The results provide evidence for the topical anti-inflammatory properties of Artemisia pallens Wall. The compounds were isolated from the acetone extract of the plant material. The isolates were tested on Swiss albino mice using 12-O-tetradecanoyl phorbol-13-acetate (TPA) induced ear edema. One of the molecules from the extract indicated potent anti-inflammatory activity equivalent to indometacin (CAS 53-86-1). Elucidation of the molecular structures by single crystal x-ray diffraction studies revealed the conformational differences that the six membered rings in both the molecules are at an angle of 28.79 degrees. Presence of hydroxy function for compound 2 may be responsible for higher potency.

}, keywords = {Anti-inflammatory activity, Artemisia pollens, Asteraceae, Mice, Single crystal x-ray structure}, issn = {0004-4172}, author = {Ruikar, Anjali D. and Misar, Ashwini V. and Jadhav, Ravindra B. and Rojatkar, Supada R. and Mujumdar, Arvind M. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article {42770, title = {Silico substrate specificity in bmgt1 and bmgt2 genes of bacopa monniera glycosyltransferases online journal of bioinformatics}, journal = {Bioinformatics}, volume = {12}, year = {2011}, month = {JAN}, pages = {413 - 430}, author = {Sharma, Ranu and Ruby and Khan, Bashir Mohammad and Suresh, C.G.} } @article { ISI:000295223800016, title = {Solid suspension in stirred tanks: UVP measurements and CFD simulations}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {5, SI}, year = {2011}, month = {OCT}, pages = {1112-1121}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Suspension of solids in stirred reactor is widely used for catalytic reactions, dissolution, etc. Quality of solid suspension is an important parameter required for the reliable design, optimum performance, and scale up of the system. Quality of suspension depends on local characteristics of solid velocity and hold up profiles. The present work was focused on investigating quality of solid suspension using ultrasound velocity profiler (UVP) measurements and CFD simulations. The slip velocity measurements carried out with UVP were used to evaluate different drag correlations used in CFD simulations. Results discussed in this work would be useful for extending the applications of CFD models for simulating large stirred slurry reactors.

}, keywords = {CFD, drag coefficient, solid suspension, solid-liquid velocities, UVP}, issn = {0008-4034}, doi = {10.1002/cjce.20548}, author = {Sardeshpande, Madhavi V. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article {42576, title = {Solution-processed heterojunction solar cells based on p-type PbS quantum dots and n-type Bi2S3 nanocrystals}, journal = {Advanced Materials}, volume = {23}, year = {2011}, month = {AUG}, pages = {3712{\textendash}3717}, abstract = {

Bi2S3 nanocrystals are employed as an n-type, non-toxic, inorganic, solution-processed semiconductor in thin film solar cells. The first solution processed-inorganic p-n junction based on p-type PbS QDs and n-type Bi2S3 nanocrystals with both phases contributing to photocarrier generation is demonstrated. The reported devices show a power conversion efficiency of 1.6\% for 860 nm PbS QDs and over 1\% for 1300 nm PbS QDs.

}, doi = {10.1002/adma.201101399}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Konstantatos, Gerasimos} } @article { ISI:000296306600025, title = {Strong electric field modulation of transport in PVDF/MWCNT nanocomposite near the percolation threshold}, journal = {Solid State Communications}, volume = {151}, number = {21}, year = {2011}, month = {NOV}, pages = {1612-1615}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A nanocomposite comprising of multiwalled carbon nanotubes (MWCNT) embedded in ferroelectric Poly(vinylidene fluoride) PVDF polymer matrix is examined for electric field induced transport modulation. The pulsed laser deposition (PLD) grown thin films of the nanocomposite with different MWCNT content were characterized. When used as a channel layer in a field effect transistor configuration, a strong electric field modulation of the transport was realized just below the percolation threshold. We believe that this nanocomposite non-percolating channel concept can provide several opportunities for FET devices for organic electronics. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Field effect device, pulsed laser deposition, PVDF, Scanning tunneling microscopy}, issn = {0038-1098}, doi = {10.1016/j.ssc.2011.07.018}, author = {Chanmal, Chetan and Deo, Meenal S. and Rana, Abhimanyu and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000287175600029, title = {Structure and gas sorption behavior of a new three dimensional porous magnesium formate}, journal = {Inorganic Chemistry}, volume = {50}, number = {4}, year = {2011}, month = {FEB}, pages = {1392-1401}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new three-dimensional magnesium formate polymorph, namely, gamma-[Mg-3(O2CH)(6)] has been synthesized via in situ formate anion generation method. gamma-Mg-formate crystallizes in space group Pbcn, and structural determination by X-ray single crystal diffraction reveals a three-dimensional network of Mg2+ linked by formate anions. All formate anions possess similar binding mode to the metal center with one oxygen of a particular formate anion binds to one metal center (mu(1) oxygen) and other oxygen binds to two metal centers (mu(2) oxygen). N-2 adsorption studies indicate that the framework displays permanent porosity. The specific surface area of gamma-Mg-formate (BET, 120 m(2) gm(-1)) is lower than the alpha- polymorph (BET, 150 m(2) gm(-1)). However, the initial hydrogen uptake of gamma-Mg-formate reached almost 1.0 wt \% when the adsorbate pressure approached 760 Torr at 77 K. This is higher than the hydrogen uptake of alpha-Mg-formate (0.6 wt \%). gamma-Mg-formate, shows a moderate affinity and capacity for CO2 (3.4 angstrom kinetic diameter) at 298 K. The CO2 uptake at 760 Torr is 2.01 mmol gm(-1)(47.0 cc gm(-1)). Although this CO2 uptake is somewhat modest, it compares well with the CO2 uptake of several Mg-MOFs and ZIFs reported in the literature.

}, issn = {0020-1669}, doi = {10.1021/ic102057p}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000287056000001, title = {Structure determination and dynamics of protein-RNA complexes by NMR spectroscopy}, journal = {Progress in Nuclear Magnetic Resonance Spectroscopy}, volume = {58}, number = {1-2}, year = {2011}, month = {FEB}, pages = {1-61}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {Dynamics, NMR spectroscopy, Protein-RNA complex, Structure determination}, issn = {0079-6565}, doi = {10.1016/j.pnmrs.2010.10.001}, author = {Dominguez, Cyril and Schubert, Mario and Duss, Olivier and Ravindranathan, Sapna and Allain, Frederic H. T.} } @article { ISI:000288835000010, title = {Structure-property of thermoplastic polyurethane-clay nanocomposite based on covalent and dual-modified laponite}, journal = {Journal of Computational and Theoretical Nanoscience}, volume = {4}, number = {1}, year = {2011}, month = {JAN}, pages = {65-73}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Modification of surface of clay platelets by ionic and covalent modification techniques renders it to be easily dispersed in polymers like, Thermoplastic Polyurethane (TPU). Only ionic or covalent modification techniques in isolation are not sufficient to achieve uniform nanoscale dispersion of Laponite (synthetic hectorite nanoclay) in TPU. Hence, the dual modification of Laponite (both ionic and covalent) is performed and the effects of the modification on the morphology, thermal and rheological behaviors of the TPU-modified clay nanocomposites have been studied. The degree of exfoliation of clay platelet in TPU matrix is found to be higher for dual functionalized nanoclays compared to their singly modified counterparts. Interestingly, dual modified Laponite clays prepared by using two different techniques (ionic followed by covalent and covalent followed by ionic) exhibit different morphology and properties. The dual modified clays significantly alter the equilibrium morphology of TPU. The storage modulus of the dual modified Laponite-TPU nanocomposite in the glassy region (at -60 degrees C) land in the rubbery region (+98 degrees C) is improved by 172.8\% and 85\%, respectively as compared to the neat TPU. Similarly, the onset of degradation is found to be enhanced by 28.7 degrees C as compared to the neat TPU.

}, keywords = {Dual modification, Laponite Nanocomposite, Morphology, Structure-Property, Thermoplastic polyurethane}, issn = {1936-6612}, doi = {10.1166/asl.2011.1174}, author = {Mishra, Ananta K. and Rajamohanan, P. R. and Nando, Golok B. and Chattopadhyay, Santanu} } @article { ISI:000298175400040, title = {Studies on the feasibility of recycled polystyrene doped with NLO active meta-Nitroaniline for optoelectronics applications}, journal = {Polymers for Advanced Technologies}, volume = {22}, number = {12}, year = {2011}, month = {DEC}, pages = {1865-1871}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A Guest-Host system based on meta-Nitroaniline (m-NA) and recycled polystyrene (RPS) susceptible to generate nonlinear optically (NLO) active property such as second harmonic generation (SHG) has been prepared. Pure, sublimed, optical grade, crystalline m-NA is used as a guest and RPS from the disposable packaging waste as available utilized as the host polymer. In this paper we report the effect of NLO active m-NA on the bulk and optical properties of RPS. The purified m-NA was incorporated from 1-10 wt\% in the RPS polymer matrix by conventional solution casting method. Thin, transparent, freestanding films obtained were characterized with optical microscope, scanning electron microscope (SEM), viscosity measurement, and UV-Visible (UV-Vis) spectroscopy for bulk properties evaluation and Nd:YAG laser studies for optoelectronics application such as SHG through frequency doubling. Copyright (C) 2010 John Wiley \& Sons, Ltd.

}, keywords = {frequency doubling, guest-host NLO systems, meta-Nitroaniline, nonlinear optical activity, Polystyrene, second harmonic generation}, issn = {1042-7147}, doi = {10.1002/pat.1685}, author = {Sureshkumar, M. S. and Goyal, R. K. and Negi, Y. S. and Pratheepkumar, A. and Reddy, K. Raghunatha and Singh, R. P. and Dadge, Jagdish W. and Aiyer, Rohini C.} } @article { ISI:000287163600004, title = {Synthesis and drug-delivery behavior of chitosan-functionalized graphene oxide hybrid nanosheets}, journal = {Macromolecular Materials and Engineering}, volume = {296}, number = {2}, year = {2011}, month = {FEB}, pages = {131-140}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Chitosan-functionalized graphene oxides (FGOCs) were successfully synthesized. FGOCs were found to significantly improve the solubility of the GO in aqueous acidic media. The presence of organic groups was confirmed by means of XPS and TGA. Restoration of the sp(2) carbon network and exfoliation of graphene sheets were confirmed by Raman spectroscopy, UV-visible spectroscopy and WAXD. The SEM and AFM investigations of the resultant FGOCs showed that most of the graphene sheets were individual and few were layered. Controlled release behavior of Ibuprofen and 5-fluorouracil was then investigated. We found that FGOCs are a promising new material for biological and medical applications.

}, keywords = {Biocompatibility, Chitosan, drug delivery systems, functionalization of polymers, solution properties}, issn = {1438-7492}, doi = {10.1002/mame.201000307}, author = {Rana, Vijay Kumar and Choi, Myeon-Cheon and Kong, Jin-Yeon and Kim, Gwang Yeon and Kim, Mi Ju and Kim, Sun-Hee and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI: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:000297737900020, title = {Synthesis and structural characterization of homochiral homo-oligomers of parent CIS- and trans-furanoid-beta-amino acids}, journal = {Chemistry-A European Journal}, volume = {17}, number = {46}, year = {2011}, month = {NOV}, pages = {12946-12954}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The synthesis of homochiral homo-oligomers of cis- and trans-3-aminotetrahydrofuran-2-carboxylic acids (parent cis- and trans-furanoid-beta-amino acids, referred to as {\textquoteleft}{\textquoteleft}cis-/trans-FAA{\textquoteright}{\textquoteright}) has been carried out to understand their secondary structures and their dependence on the ring heteroatom. The oligomers of two diastereomers have been shown to have a distinct left-handed helicity. The cis-FAA homo-oligomers show a 14-helix structure, in contrast to the homo-oligomers of cis-ACPC, which adopt a sheet like structure. The trans-FAA homo-oligomers were found to adopt a 12-helix structure, the same trend found in trans-ACPC homo-oligomers. With the help of ab initio calculations, the structural features of cis-ACPC and cis-FAA hexamers were compared. We believe that the more compact packing of the cis-FAA hexapeptide should be due to a more favorable interaction between the ring and the backbone amide hydrogen.

}, keywords = {ab initio calculations, Amino acids, Density functional calculations, Peptides, secondary structures}, issn = {0947-6539}, doi = {10.1002/chem.201101855}, author = {Pandey, Sunil K. and Jogdand, Ganesh F. and Oliveira, Joao C. A. and Mata, Ricardo A. and Rajamohanan, Pattuparambil R. and Ramana, Chepuri V.} } @article { ISI:000288393700001, title = {Synthesis of gold nanoparticles by various leaf fractions of Semecarpus anacardium L. tree}, journal = {Trees-Structure and Function}, volume = {25}, number = {2}, year = {2011}, month = {APR}, pages = {145-151}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Gold nanoparticles (NPs) were synthesized using Semecarpus anacardium leaf extracts in water and the green biomass. Extract prepared at ambient condition by crushing the leaves in deionized water is identified as {\textquoteleft}green extract{\textquoteright}, and that by boiling the leaf pieces as {\textquoteleft}boiled extract{\textquoteright}. The mass remaining after separating the {\textquoteleft}green extract{\textquoteright} is identified as {\textquoteleft}green biomass{\textquoteright}. These components triggered rapid reduction of Au(III) to Au (0) in HAuCl4 solution indicating the natural ability of the leaves of S. anacardium to synthesize NPs in ambient conditions. Green extract produced more NPs compared to the boiled extract suggesting denaturization of some of the useful factors due to boiling. NPs were quantified using UV and ICP-AES analysis. These were characterized using Transmission electron microscopy, Fourier transform infrared spectroscopy and X-ray diffraction. TEM images of the particles formed with green extract, boiled extract and green biomass showed that the particles were of different shapes and sizes.

}, keywords = {Biosynthesis, gold nanoparticles, Green extract, Semecarpus, TEM}, issn = {0931-1890}, doi = {10.1007/s00468-010-0493-y}, author = {Raju, D. and Mehta, Urmil J. and Hazra, Sulekha} } @article { ISI:000286577400023, title = {Synthesis of molluscicidal agent cyanolide a macrolactone from D-(-)-pantolactone}, journal = {Journal of Organic Chemistry}, volume = {76}, number = {3}, year = {2011}, month = {FEB}, pages = {963-966}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient synthesis of potent molluscicidal agent cyanolide A, a glycosidic 16-membered macrolide, starting from D-(-)-pantolactone is reported. Highly stereoselective aldol, oxa-Michael addition, and Yamaguchi macrolactonization are the key steps in the present synthesis.

}, issn = {0022-3263}, doi = {10.1021/jo101782q}, author = {Hajare, Atul K. and Ravikumar, Velayutham and Khaleel, Shaik and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000293436100018, title = {Synthesis of novel dihydrooxazine and oxazoline based sugar hybrids from sugar azides}, journal = {Tetrahedron Letters}, volume = {52}, number = {33}, year = {2011}, month = {AUG}, pages = {4313-4315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convenient one-step method for the synthesis of novel dihydrooxazine and oxazoline based sugar hybrids is reported starting from the readily accessible sugar azides and aldehydes. We have used Aube{\textquoteright}s protocol to achieve this transformation. The resulting glycoconjugates could be used to increase the diversity on the sugar backbone and may find applications as potential glycomimetics and in drug discovery. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydrooxazine, Glycoconjugate, Hydroxy azide, Oxazoline, Sugar azide, Sugar hybrids}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.035}, author = {Kurhade, Suresh E. and Ravula, Sudhir and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000286789100007, title = {Target cum flexibility: an alkyne [2+2+2]-cyclotrimerization strategy for synthesis of trinem library}, journal = {Tetrahedron Letters}, volume = {52}, number = {1}, year = {2011}, month = {JAN}, pages = {38-41}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A rapid access to the central 4,5,6-tricyclic core of 4,5,6-trinems has been achieved by employing the alkyne [2+2+2]-cyclotrimerization as the key and final reaction in the synthesis. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.123}, author = {Ramana, C. V. and Dushing, Mangesh P. and Mohapatra, Sradhanjali and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000294145600011, title = {Target cum flexibility: synthesis of C(3 {\textquoteleft})-spiroannulated nucleosides}, journal = {Tetrahedron Letters}, volume = {52}, number = {36}, year = {2011}, month = {SEP}, pages = {4627-4630}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report a simple strategy for the synthesis of a collection of C(3{\textquoteright})-spirodihydroisobenzo-furannulated nucleosides featuring a [2+2+2]-cyclotrimerization as the key reaction. The cyclotrimerization reactions are facile with the unprotected nucleosides having a diyne unit. When both alkynes of the diyne are terminal, the regioselectivity is poor. However, when one of the terminal alkynes is additionally substituted, the cyclotrimerizations are highly diastereoselective. Since the key bicycloannulation is the final step, this strategy provides flexibility in terms of the alkynes and is thus amenable for the synthesis of a focussed small molecule library. (C) 2011 Published by Elsevier Ltd.

}, keywords = {Dihydroisobenzofuran, Modified nucleosides, Tanaka catalyst, Willkinson catalyst, [2+2+2]-Cyclotrimerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.100}, author = {Dushing, Mangesh P. and Ramana, C. V.} } @article { ISI:000292095800003, title = {Temperature-guided diastereoselectivity switch during the desymmetrization of meso-7-azabicyclo[2.2.1]heptadiene: new strategy towards the synthesis of aminocyclitols}, journal = {Chemistry-A European Journal}, volume = {17}, number = {23}, year = {2011}, month = {MAY}, pages = {6304-6308}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {aminocyclitols, azabicycloheptane, desymmetrization, diastereoselectivity, synthetic methods}, issn = {0947-6539}, doi = {10.1002/chem.201100418}, author = {Pandey, Ganesh and Rajender, Salla} } @article {42577, title = {To make polymer: quantum dot hybrid solar cells NIR-active by increasing diameter of PbS nanoparticles}, journal = {Solar Energy Materials and Solar Cells}, volume = {95}, year = {2011}, month = {OCT}, pages = {651{\textendash}656}, abstract = {

We fabricate NIR-active solar cells based on PbS quantum dots and a conventional conjugated polymer. These devices act as solar cells under exclusively NIR wavelengths above 650 nm. Here PbS nanoparticles absorb photons in the NIR range that in turn generate excitons. We show that with an assistance from a strong electron-acceptor (TiO2), these excitons can be dissociated to electrons and holes to yield a photocurrent in the external circuit. We then aim to extend the spectral window of the solar cells to higher wavelength region by increasing the diameter of PbS nanoparticles to make the cells further NIR-active. We observe that the short-circuit current (JSC) shows a peak when the diameter of PbS nanoparticles increases. Here, the spectral window can be extended till conduction band-edge of PbS quantum dots falls below that of TiO2 nanostructures cutting off the electron-transfer pathway. The NIR-active photovoltaic solar cells yield a short-circuit current (JSC) of 1.0 mA/cm2, open-circuit voltage (VOC) of 0.42 V, and power conversion efficiency (η) of 0.16\% and remain operative till 1200 nm.

}, doi = {10.1016/j.solmat.2010.09.034}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI: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:000288692000046, title = {Totall synthesis of (+/-)-sacidumllignan D}, journal = {Journal of Organic Chemistry}, volume = {76}, number = {7}, year = {2011}, month = {APR}, pages = {2315-2318}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of (+/-)-sacidumlignan D featuring a Zn-mediated Barbier reaction and reverse Wacker oxidation to form the key gamma-lactone, its diastereoselective alpha-methylation followed by reduction cyclization, was documented.

}, issn = {0022-3263}, doi = {10.1021/jo1025749}, author = {Pandey, Sunil Kumar and Ramana, C. V.} } @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 {42528, title = {ZnII-2,2?:6?,2?-terpyridine-based complex as fluorescent chemosensor for PPi, AMP and ADP}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {JUL}, pages = {3050{\textendash}3058}, abstract = {

A new ZnII{\textendash}2,2':6',2"-terpyridine complex, derivatized with a coumarin moiety (L1Zn), acts as a fluorescent chemosensor for different biologically important phosphates like PPi, AMP and ADP in mixed aqueous media. Depending on the proportion of the aqueous fraction present in the solvent mixture, L1Zn shows a preference for different phosphate moieties at physiological pH. In an aqueous acetonitrile (2:3, v/v) medium this reagent shows a preference for AMP as compared to ADP, ATP and PPi. The binding affinities of L1Zn with different phosphate ions and associated shifts in the electronic spectra were rationalized by DFT calculations. Such an example of a receptor that is selective for AMP under physiological conditions is rare in the literature.

}, doi = {10.1002/ejic.201100125}, author = {Das, Priyadip and Ghosh, Amrita and Kesharwani, Manoj K. and Ramu, Vadde and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000310257100019, title = {Alumina supported carbon composite material with exceptionally high defluoridation property from eggshell waste}, journal = {Journal of Hazardous Materials}, volume = {237}, year = {2012}, month = {OCT}, pages = {161-169}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

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

}, keywords = {Composite material, Eggshell, Eggshell membrane, Fluoride adsorption, Langmuir}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2012.08.023}, author = {Lunge, Sneha and Thakre, Dilip and Kamble, Sanjay and Labhsetwar, Nitin K. and Rayalu, Sadhana} } @article {42779, title = {Amino functionalized oligo polyimides with enhanced storage stability}, number = {EP 11817412 A 20111228}, year = {2012}, month = {JUL}, abstract = {

The invention relates to an improved process for the preparation of amino functionalized oligomeric monomeric reactant type polyimides having higher stability. More particularly it relates to a process for the preparation of soluble imide prepolymers, used as matrix resins that can be rapidly cured with multi-functional moieties such as diepoxy, dicarboxyl, anhydride, diisocyanates to form crosslinked structures having enhanced thermal stability and mechanical strength.

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Mohan, Srinivasulu Reddy Krishna and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Tayal, Rajiv Kumar and Shadbar, Qureshi Mohammed and Chavan, Nayaku and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Bhosle, Sonali Madhavrao and Mule, Smita Atmaram and Dhoble, Deepa Arun and John, Aruldoss and Shaikh, Wasif Abdul Lateef and Harikrishna, Reghunathan and Punitharasu, Vellimala and Momin, Mohasin Shamshuddin} } @article { ISI:000309208000024, title = {Ammonia clathrate hydrates as new solid phases for Titan, Enceladus, and other planetary systems}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {37}, year = {2012}, month = {SEP}, pages = {14785-14790}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

There is interest in the role of ammonia on Saturn{\textquoteright}s moons Titan and Enceladus as the presence of water, methane, and ammonia under temperature and pressure conditions of the surface and interior make these moons rich environments for the study of phases formed by these materials. Ammonia is known to form solid hemi-, mono-, and dihydrate crystal phases under conditions consistent with the surface of Titan and Enceladus, but has also been assigned a role as water-ice antifreeze and methane hydrate inhibitor which is thought to contribute to the outgassing of methane clathrate hydrates into these moons{\textquoteright} atmospheres. Here we show, through direct synthesis from solution and vapor deposition experiments under conditions consistent with extraterrestrial planetary atmospheres, that ammonia forms clathrate hydrates and participates synergistically in clathrate hydrate formation in the presence of methane gas at low temperatures. The binary structure II tetrahydrofuran + ammonia, structure I ammonia, and binary structure I ammonia + methane clathrate hydrate phases synthesized have been characterized by X-ray diffraction, molecular dynamics simulation, and Raman spectroscopy methods.

}, keywords = {ethane, hydrate inhibitors, hydrogen bonding, ice, single crystal X-ray diffraction}, issn = {0027-8424}, doi = {10.1073/pnas.1205820109}, author = {Shin, Kyuchul and Kumar, Rajnish and Udachin, Konstantin A. and Alavi, Saman and Ripmeester, John A.} } @article { ISI:000300871600018, title = {Antagonism of microRNA function in zebrafish embryos by using locked nucleic acid enzymes (LNAzymes)}, journal = {Chembiochem}, volume = {13}, number = {4}, year = {2012}, month = {MAR}, pages = {584-589}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

MicroRNAs (miRNAs) have crucial functions in many cellular processes, such as differentiation, proliferation and apoptosis; aberrant expression of miRNAs has been linked to human diseases, including cancer. Tools that allow specific and efficient knockdown of miRNAs would be of immense importance for exploring miRNA function. Zebrafish serves as an excellent vertebrate model system to understand the functions of miRNAs involved in a variety of biological processes. We designed and employed a strategy based on locked nucleic acid enzymes (LNAzymes) for in vivo knockdown of miRNA in zebrafish embryos. We demonstrate that LNAzyme can efficiently knockdown miRNAs with minimal toxicity to the zebrafish embryos.

}, keywords = {enzymes, locked nucleic acids, microRNA, morpholino, zebrafish}, issn = {1439-4227}, doi = {10.1002/cbic.201100789}, author = {Suryawanshi, Hemant and Lalwani, Mukesh Kumar and Ramasamy, Soundhar and Rana, Rajiv and Scaria, Vinod and Sivasubbu, Sridhar and Maiti, Souvik} } @article { ISI:000311754600007, title = {Antibacterial properties of linolenic sophorolipid and its chemically esterified methyl ester form}, journal = {Research Journal of Biotechnology}, volume = {7}, number = {3}, year = {2012}, month = {AUG}, pages = {40-45}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

The antibacterial activity of Linolenic SL mixture (containing 80\% lactone) and its methyl ester derivative against Gram positive (B. subtilis) and Gram negative (E. coli and P. aeruginosa) bacteria is reported here. Bacterial cultures were treated with increasing concentrations of Linolenic SL mixture and its methyl ester derivative and antibacterial activity was checked at different time-intervals (2, 4 and 6 hrs) using standard dilution micromethod and spread plate method. Decrease in bacterial colonies was observed with increase in concentrations of compounds as well as incubation time but the level of effectiveness varies with the compound and bacteria. The minimum inhibitory concentrations (MIC) of Linolenic SL mixture (LNNSL, containing 80\% lactone) against B. subtilis, E. coli and P. aeruginosa were found to be 20, 10 and 10 mu g ml(-1) respectively. The MIC values of methyl ester form (LNNSLME) against B. subtilis, E. coli and P. aeruginosa were determined to be \>20, 20 and 20 mu g ml(-1) respectively. The results suggest that Linolenic SL mixture (containing 80\% lactone) as compared to its methyl ester derivative showed good antibacterial activity towards both the Gram positive and Gram negative bacteria and were found to be more potent against Gram negative bacteria.

}, keywords = {antibacterial activity, Bacillus subtilis, Escherichia coli, Linolenic sophorolipid mixture, Minimum inhibitory concentration, Pseudomonas aeruginosa, Sophorolipid methyl ester}, issn = {0973-6263}, author = {Reetika, Gupta and Kumar, Uma S. and Asmita, Prabhune} } @article { ISI:000305764600011, title = {Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {28}, year = {2012}, month = {MAY}, pages = {5385-5394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

First synthesis of diaportheone B, an antituberculosis agent isolated from endophytic fungus Diaporthe sp. P133 is reported using two complementary routes, a one step and a three-step sequence. The absolute configuration of diaportheone B was determined by using X-ray crystal structure analysis of its dibromo derivative. In addition, we have prepared several close analogues of diaportheone B and determined their anti-TB potential using Alamar-blue assay (H(37)Rv).

}, issn = {1477-0520}, doi = {10.1039/c2ob25831e}, author = {Swaroop, Pandrangi Siva and Raut, Gajanan N. and Gonnade, Rajesh G. and Verma, Priyanka and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000312607100004, title = {Asymmetric synthesis of (+)-stagonolide C and (-)-aspinolide A via organocatalysis}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {22-23}, year = {2012}, month = {DEC}, pages = {1534-1541}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new enantioselective synthesis of two important fungal metabolites, (+)-stagonolide C and (-)-aspinolide A, has been described from readily available raw materials. Praline catalyzed asymmetric alpha-aminooxylation and Jorgensen{\textquoteright}s epoxidation of aldehydes are the key reactions employed in the introduction of chirality. The formation of the 10-membered lactone core structure was finally accomplished via Steglich esterification and ring closing metathesis reactions. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.10.007}, author = {Shelke, Anil M. and Rawat, Varun and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000298390900013, title = {Biochemical characterization of a novel thermostable xyloglucanase from an alkalothermophilic thermomonospora sp.}, journal = {Extremophiles}, volume = {16}, number = {1}, year = {2012}, month = {JAN}, pages = {135-146}, publisher = {SPRINGER JAPAN KK}, address = {CHIYODA FIRST BLDG EAST, 3-8-1 NISHI-KANDA, CHIYODA-KU, TOKYO, 101-0065, JAPAN}, abstract = {

Xyloglucanase from an extracellular culture filtrate of alkalothermophilic Thermomonospora sp. was purified to homogeneity with a molecular weight of 144 kDa as determined by SDS-PAGE and exhibited specificity towards xyloglucan with apparent K (m) of 1.67 mg/ml. The enzyme was active at a broad range of pH (5-8) and temperatures (40-80A degrees C). The optimum pH and temperature were 7 and 70A degrees C, respectively. The enzyme retained 100\% activity at 50A degrees C for 60 h with half-lives of 14 h, 6 h and 7 min at 60, 70 and 80A degrees C, respectively. The kinetics of thermal denaturation revealed that the inactivation at 80A degrees C is due to unfolding of the enzyme as evidenced by the distinct red shift in the wavelength maximum of the fluorescence profile. Xyloglucanase activity was positively modulated in the presence of Zn2+, K+, cysteine, beta-mercaptoethanol and polyols. Thermostability was enhanced in the presence of additives (polyols and glycine) at 80A degrees C. A hydrolysis of 55\% for galactoxyloglucan (GXG) from tamarind kernel powder (TKP) was obtained in 12 h at 60A degrees C and 6 h at 70A degrees C using thermostable xyloglucanases, favouring a reduction in process time and enzyme dosage. The enzyme was stable in the presence of commercial detergents (Ariel), indicating its potential as an additive to laundry detergents.

}, keywords = {Alkalothermophilic Thermomonospora sp., Biotechnological applications, Purification, Thermostable, Xyloglucanase}, issn = {1431-0651}, doi = {10.1007/s00792-011-0413-0}, author = {Pol, Dipali and Menon, Vishnu and Rao, Mala} } @article { ISI:000304037200008, title = {Carbohydrate based total synthesis of xestodecalactone B and C: revision of the absolute configuration}, journal = {Current Organic Chemistry}, volume = {16}, number = {9}, year = {2012}, month = {MAY}, pages = {1159-1168}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

A convergent chiral pool approach for the total synthesis of xestodecalactones B and C was demonstrated in which intramolecular acylation reaction constituted the key step. Synthetic and spectroscopic studies reported herein, suggested that the previously assigned structures of xestodecalactone B and C be interchanged.

}, keywords = {Chiral pool, Hydroboration, Intramolecular acylation, Pinnick oxidation, Revision of absolute configuration, Xestodecalactone B and C}, issn = {1385-2728}, author = {Pal, Rita and Rahaman, Hasibur and Gurjar, Mukund K.} } @article { ISI:000310863400012, title = {Carbohydrate-derived conformationally restricted bicyclic dipeptides as potential hetero foldamer building blocks}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {18-19}, year = {2012}, month = {OCT}, pages = {1400-1404}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Starting from carbohydrate precursors, hetero foldamer building blocks featuring diverse amino acid side chains and stereochemistry have been accessed via a multi-step synthetic protocol. These conformationally restricted bicyclic dipeptide building blocks are characterized by a constrained beta-lactam ring fused with a pyrrolidine ring carrying a hydroxyethylamine isostere (HEA) on the backbone. These building blocks offer the possibility of developing foldamers with interesting structural architectures, conspicuously different from those classically observed. Furthermore, such hetero-building blocks have the potential to augment the conformational space available for foldamer design with diverse backbone conformations and structural architectures. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.08.007}, author = {Ramesh, Veera V. E. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000312061000043, title = {Ce-Ni mixed oxide as efficient catalyst for H-2 production and nanofibrous carbon material from ethanol in the presence of water}, journal = {RSC Advances}, volume = {2}, number = {25}, year = {2012}, month = {AUG}, pages = {9626-9634}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrogen production from ethanol steam reforming (H2O/C2H5OH = 3) was studied over Ce-Ni based catalysts issued from different preparation methods (co-precipitation (CP), impregnation (IMP) and incipient wetness impregnation (IWI)). Catalysts prepared by the CP method exhibit higher activity and much better stability compared to the other two types of catalysts. The Ni1CeOY-CP catalyst is able to completely convert ethanol at 450 degrees C to H-2, CO2 and CH4 (almost no CO is observed), with a H-2 yield of 3 moles of hydrogen produced per mole of ethanol converted. A very high H-2 yield of 4.6 mol mol(EtOH)(-1) is achieved over the Ni1CeOY-CP mixed oxide at 650 degrees C. Correlations between the preparation method, catalytic activity and stability, and type of carbon deposition are discussed. The CP method forms very active small sized NiO (15 nm) and CeO2 (4 nm) nanoparticles, leading to the formation of a lower amount of carbon deposition in the form of nanofibrous carbon materials, the size of which depends on the Ni related nanoparticles. For CP catalysts, the graphitic filaments obtained correspond to carbon nanofibers (CNFs) and carbon nanotubes (CNTs) with a much smaller and homogenous size compared to the filamentous carbon formed over the catalysts issued from the other preparation methods, in relation to the active particles size. The catalytic stability is attributed to the type of carbon formed.

}, issn = {2046-2069}, doi = {10.1039/c2ra21701e}, author = {Fang, Wenhao and Pirez, Cyril and Capron, Mickael and Paul, Sebastien and Raja, Thirumalaiswamy and Dhepe, Paresh Laxmikant and Dumeignil, Franck and Jalowiecki-Duhamel, Louise} } @article { ISI:000296558300011, title = {Chemical deposition of CuInSe2 thin films by photoelectrochemical applications}, journal = {Journal of Alloys and Compounds}, volume = {511}, number = {1}, year = {2012}, month = {JAN}, pages = {50-53}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Copper indium diselenide films have been synthesized by chemical bath deposition method. The configuration of fabricated cell is n-CuInSe2|NaOH (1 M) + S (1 M) + Na2S (1 M)|C-(graphite). The photoelectrochemical cell characterization of the films is carried out by studying current-voltage characteristics in dark, capacitance-voltage in dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that CuInSe2 thin films are n-type conductivity. The junction ideality factor is found to be 3.81. The flat band potential is found to be 0.763 V. The barrier height value is found to be 0.232 eV. The study of power output characteristic shows open circuit voltage, short circuit current, fill factor and efficiency are found to be 310 mV, 20 mu A, 42.12\% and 0.82\%, respectively. Photoresponse shows lighted ideality factor which is 2.92. Spectral response shows the maximum current observed at 650 nm. (C) 2011 Published by Elsevier B.V.

}, keywords = {Chemical bath deposition, Flat band potential, Photo response, Power output, Spectral response}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.04.084}, author = {Hankare, P. P. and Rathod, K. C. and Chate, P. A. and Garadkar, K. M. and Sathe, D. J. and Mulla, Imtiaz S.} } @article { ISI: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 { ISI:000302573400003, title = {Cloning, characterization and impact of up- and down-regulating subabul cinnamyl alcohol dehydrogenase (CAD) gene on plant growth and lignin profiles in transgenic tobacco}, journal = {Plant Growth Regulation}, volume = {66}, number = {3}, year = {2012}, month = {APR}, pages = {239-253}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Both cDNA including 5{\textquoteright}UTR and 3{\textquoteright}UTR and genomic clones of cinnamyl alcohol dehydrogenase (CAD) were isolated and characterized from a pulp-yielding leguminous tree Leucaena leucocephala (LlCAD1). The deduced amino acid sequence shared high identity with orthologous sequences of Acacia mangium x Acacia auriculiformis (83\%), Medicago sativa (83\%), Nicotiana tabaccum (83\%) and Aralia cordata (81\%). Full length cDNA contained 78 bases of 5{\textquoteright}UTR and 283 bases of 3{\textquoteright}UTR, while the genomic clone contained 5 exons and 4 introns. Western blot analysis revealed elevated expression of LlCAD1 in seedling roots and shoots compared to leaves. Sense and antisense CAD tobacco transgenics showed increased and reduced CAD activity accompanied by a change in monomeric lignin composition. Histochemical staining of lignin in down-regulated plants suggested an increase in aldehyde units and a decrease in S/G ratio. Down-regulation of CAD resulted in accumulation of syringic, ferulic, p-coumaric and sinapic acids compared to untransformed controls. These observations were validated by anatomical studies of down-regulated transgenic stems which showed thin walled, elongated phloem and xylem fibres, accompanied by a reduction in the density of vessel elements and amount of secondary xylem when compared to untransformed plants. Furthermore, Klason lignin analysis of CAD antisense transgenics showed 7-32\% reduced lignin and normal phenotype as compared to untransformed plants. Such a reduction was not noticed in up-regulated transgenics. These results demonstrate a unique opportunity to explore the significant role that down-regulation of CAD gene plays in reducing lignin content thereby offering potential benefits to the pulp and paper industry.

}, keywords = {Cinnamyl alcohol dehydrogenase, Lignin down-regulation, Subabul (Leucaena leucocephala), Tobacco}, issn = {0167-6903}, doi = {10.1007/s10725-011-9647-1}, author = {Sirisha, V. L. and Prashant, S. and Kumar, D. Ranadheer and Pramod, S. and Jalaja, N. and Kumari, P. Hima and Rao, P. Maheshwari and Rao, S. Nageswara and Mishra, Preeti and Karumanchi, S. Rao and Khan, Bashir Mohammad and Kishor, P. B. Kavi} } @article { ISI:000302637800012, title = {CN-assisted oxidative cyclization of cyano cinnamates and styrene derivatives: a facile entry to 3-substituted chiral phthalides}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {18}, year = {2012}, month = {MAR}, pages = {3655-3661}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The asymmetric dihydroxylation (AD) of o-cyano cinnamates and styrene derivatives leads to efficient construction of chiral phthalide frameworks in high optical purities. This unique reaction is characterized by unusual synergism between CN and osmate groups resulting in rate enhancement of the AD process. The method is amply demonstrated by the synthesis and the structural/stereochemical assignment of the natural products.

}, issn = {1477-0520}, doi = {10.1039/c2ob25409c}, author = {Reddy, R. Santhosh and Kiran, I. N. Chaithanya and Sudalai, Arumugam} } @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 { ISI:000305766800017, title = {Computational fluid dynamics modelling of solid suspension in stirred tanks}, journal = {Current Science}, volume = {102}, number = {11}, year = {2012}, month = {JUN}, pages = {1539-1551}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Solid suspension and mixing are crucial in many important processes, including multiphase catalytic reactions, crystallization, precipitation, etc. In recent years, various efforts have been made to numerically simulate solid-liquid flows in stirred vessels using computational fluid dynamics (CFD). In this article, we present a brief account of our group{\textquoteright}s efforts at developing and using CFD models for simulating solid suspension in stirred tanks. Computational models were developed and evaluated by comparing model predictions with our data as well as published experimental data. A variety of experimental techniques ranging from torque and wall pressure fluctuations to ultrasound velocity profiler were used. Efforts were made to develop appropriate sub-models for capturing influence of the prevailing turbulence and solid volume fraction on effective inter-phase coupling terms. A hysteresis in variation of the height of the cloud of suspended solid with impeller rotational speed was observed. The hysteresis, besides having applications in realizing better suspension at lower effective power consumption, also offers an attractive evaluation test for CFD models. A new way to carry out dynamic settling of solid cloud by sudden impeller stoppage has been developed. The approach, models and results presented here will be useful for extending applications of CFD models for simulating industrial stirred slurry reactors as well as further research in the field.

}, keywords = {computational fluid dynamics, hysteresis, solid suspension, stirred tanks}, issn = {0011-3891}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article { ISI:000310215400007, title = {Conformational modulation of Ant-Pro oligomers using chirality alteration of proline residues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {42}, year = {2012}, month = {SEP}, pages = {8426-8433}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Structural modulation of Ant-Pro (anthranilic acid-proline) oligomers has been carried out by chirality alteration of the proline residues. The results suggest that the chirality altered oligomers show well-defined helical conformation featuring nine-membered hydrogen bonding interactions - without compromising conformational rigidity.

}, issn = {1477-0520}, doi = {10.1039/c2ob26132d}, author = {Kale, Sangram S. and Kotmale, Amol S. and Dutta, Achintya Kumar and Pal, Sourav and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000304129100035, title = {Continuous dehydration and hydrogenolysis of glycerol over non-chromium copper catalyst: laboratory-scale process studies}, journal = {Organic Process Research \& Development}, volume = {16}, number = {5}, year = {2012}, month = {MAY}, pages = {1043-1052}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A non-chromium Cu:Al catalyst was developed for glycerol dehydration under N-2 atmosphere to acetol and hydrogenolysis to 1,2-propanediol (1,2-PDO). Among the various copper-based catalysts screened in this work, Cu:Al-1 catalyst showed the highest activity and acetol selectivity in water medium, whereas transfer hydrogenation in 2-propanol as the reaction medium led to the formation of 1,2-PDO (10-38\%). The same catalyst was also found to catalyze the direct hydrogenolysis of glycerol to 1,2-PDO. Time on stream activity (TOS) of our Cu:Al-1 catalyst for both continuous dehydration and hydrogenolysis of glycerol was found to be 400 h with an average glycerol conversion of 90\% and 65\%, respectively. Maximum acetol selectivity was 55\% while 1,2-PDO selectivity was 91\% in dehydration and hydrogenolysis reactions separately. Effects of various reaction conditions on conversion, selectivity, and global rates of the two processes were also investigated.

}, issn = {1083-6160}, doi = {10.1021/op200383r}, author = {Mane, Rasika B. and Rode, Chandrashekhar V.} } @article { ISI:000306358100005, title = {Copper modified waste fly ash as a promising catalyst for glycerol hydrogenolysis}, journal = {Catalysis Today}, volume = {190}, number = {1}, year = {2012}, month = {AUG}, pages = {31-37}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Several catalyst formulations using waste fly ash along with Cu were prepared and characterised by XRD, BET and TEM. These catalysts were also evaluated for the first time for hydrogenolysis of glycerol to 1,2 propanediol (1,2-PDO) in a batch reactor under 52 bar H-2 pressure in the temperature range of 473-513 K conditions. The fly ash pretreated by alkali using the fusion method and impregnated with Cu showed higher activity and stability for glycerol hydrogenolysis. Due to pretreatment with alkali at high temperature, transformation of alpha-quartz to the tridymite phase of SiO2 occurred. More importantly, use of alkali either during the pretreatment or the Cu loading step resulted in a high dispersion on the surface which was responsible for higher glycerol conversion and 1,2-PDO selectivity. The effects of temperature, Cu loading and solvent on glycerol conversion and product selectivities were also studied in this work. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {1, 2-Propanediol, Alkali fusion, Cu loading, Fly ash, Glycerol hydrogenolysis}, issn = {0920-5861}, doi = {10.1016/j.cattod.2011.11.038}, author = {Rode, C. V. and Mane, R. B. and Potdar, A. S. and Patil, P. B. and Niphadkar, P. S. and Joshi, P. N.} } @article { ISI:000309372100015, title = {Critical review of membrane bioreactor models - Part 2: Hydrodynamic and integrated models}, journal = {Bioresource Technology}, volume = {122}, number = {SI}, year = {2012}, month = {OCT}, pages = {107-118}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Membrane bioreactor technology exists for a couple of decades, but has not yet overwhelmed the market due to some serious drawbacks of which operational cost due to fouling is the major contributor. Knowledge buildup and optimisation for such complex systems can heavily benefit from mathematical modelling. In this paper, the vast literature on hydrodynamic and integrated MBR modelling is critically reviewed. Hydrodynamic models are used at different scales and focus mainly on fouling and only little on system design/optimisation. Integrated models also focus on fouling although the ones including costs are leaning towards optimisation. Trends are discussed, knowledge gaps identified and interesting routes for further research suggested. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {CFD, Costs, hydrodynamics, Integrated model, Modelling}, issn = {0960-8524}, doi = {10.1016/j.biortech.2012.05.071}, author = {Naessens, W. and Maere, T. and Ratkovich, N. and Vedantam, S. and Nopens, I.} } @article { ISI:000309370500013, title = {Cu-II-exchanged montmorillonite K10 clay-catalyzed direct carboxylation of terminal alkynes with carbon dioxide}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1325-1329}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

A new, simple and straight-forward protocol for direct carboxylation of terminal alkynes has been developed using Cu-II-montmorillonite K10 clay as a heterogeneous catalyst and CO2 as the C1 carbon feedstock. Also coupling of terminal alkynes with CO2 (1 atm) in the presence of alkyl halides has been achieved under the same reaction conditions, thereby providing access to a variety of functionalized alkyl-2-alkynoates in high yields.

}, keywords = {Alkyl esters, Alkyne C-H activation, Carbon dioxide activation, Carboxylation, Catalysts, Montmorillonite clays}, issn = {0376-4710}, author = {Aher, Ravindra D. and Gade, Madhuri H. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000302018600031, title = {Cu-ZrO2 nanocomposite catalyst for selective hydrogenation of levulinic acid and its ester to gamma-valerolactone}, journal = {Green Chemistry}, volume = {14}, number = {4}, year = {2012}, month = {FEB}, pages = {1064-1072}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Several copper based catalysts were prepared, characterized and evaluated for the hydrogenation of levulinic acid and its methyl ester. Among these, nanocomposites of Cu-ZrO2 and Cu-Al2O3 quantitatively catalyzed the hydrogenation of levulinic acid and its methyl ester to give 90-100\% selectivity to gamma-valerolactone in methanol and water respectively. Both the Cu-ZrO2 and Cu-Al2O3 nanocomposites were prepared by the co-precipitation method using mixed precursors under controlled conditions. XRD results showed that the main active phase of the reduced Cu-ZrO2 catalyst was metallic copper and particle size was found to be of 10-14 nm by HRTEM. The active metal leaching was at a maximum for the Cu-Al2O3 catalyst in a water medium due to the formation of a copper-carboxylate complex that was blue in colour. Surprisingly, copper leaching was completely suppressed in the case of the Cu-ZrO2 catalyst in methanol in spite of the substrate loading was increased from 5 to 20\% w/w. The excellent recyclability of the Cu-ZrO2 catalyst with complete LA conversion and \> 90\% GVL selectivity makes it a sustainable process having a commercial potential.

}, issn = {1463-9262}, doi = {10.1039/c2gc16558a}, author = {Hengne, Amol M. and Rode, Chandrashekhar V.} } @article {UGC-New Delhi}, title = {Developmental and digestive flexibilities in the midgut of a polyphagous pest, the cotton bollworm, helicoverpa armigera}, journal = {Journal of Insect Science}, volume = {12}, number = {3-4}, year = {2012}, month = {MAR}, pages = {42}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {

Developmental patterns and survival of the cotton bollworm, Helicoverpa armigera Hubner (Lepidoptera: Noctuidae), a polyphagous insect pest, have been studied with reference to the effect of diet on major gut digestive enzymes (amylases, proteases, and lipases). Significant correlations between nutritional quality of the diet and larval and pupal mass were observed when H. armigera larvae were fed on various host plants viz. legumes (chickpea and pigeonpea), vegetables (tomato and okra), flowers (rose and marigold), and cereals (sorghum and maize). Larvae fed on diets rich in proteins and/or carbohydrates (pigeonpea, chickpea, maize, and sorghum) showed higher larval mass and developed more rapidly than larvae fed on diets with low protein and carbohydrate content (rose, marigold, okra, and tomato). Low calorific value diets like rose and marigold resulted in higher mortality (25-35\%) of H. armigera. Even with highly varying development efficiency and larval/pupal survival rates, H. armigera populations feeding on different diets completed their life cycles. Digestive enzymes of H. armigera displayed variable expression levels and were found to be regulated on the basis of macromolecular composition of the diet. Post-ingestive adaptations operating at the gut level, in the form of controlled release of digestive enzymes, might be a key factor contributing to the physiological plasticity in H. armigera.

}, keywords = {amylases, larval performance, Lipases, Proteases}, issn = {1536-2442}, doi = {10.1016/j.tetasy.2012.02.004}, author = {Sarate, P. J. and Tamhane, V. A. and Kotkar, H. M. and Ratnakaran, N. and Susan, N. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI: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:000303173800002, title = {Distinctions in early stage unwinding mechanisms of zwitterionic, capped, and neutral forms of different alpha-helical homopolymeric peptides}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {16}, year = {2012}, month = {APR}, pages = {4731-4740}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Molecular dynamics simulations of alpha-helical polyalanine, polyleucine, polylysine, and poly(glutamic acid) with different forms of terminal groups in water at 300 K showed sharp distinctions in their unwinding mechanisms. Zwitterionic, capped, and neutral forms of polyalanine, polyleucine, and polylysine have been explored to elucidate their unwinding mechanism at very early stage, e.g., initial time window. Role of water in the unwinding mechanisms of the various helices has been envisaged. Also, it is evident from our calculations that the short- and long-range nonbonded interactions among the side chains is an important factor determining the unwinding mechanisms of the various homopolymeric alpha-helices. These findings can be helpful in constructing predictive models for understanding of the unwinding of alpha-helical proteins and peptides.

}, issn = {1520-6106}, doi = {10.1021/jp301556x}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000312205000007, title = {Effect of alkali pretreatment on the structural properties and enzymatic hydrolysis of corn cob}, journal = {Applied Biochemistry and Biotechnology}, volume = {168}, number = {7}, year = {2012}, month = {DEC}, pages = {1806-1819}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

An effective alkali pretreatment which affects the structural properties of cellulose (corn cob) has been studied. The pretreatment of corn cob was carried out with different combinations of alkali at varying temperatures. The most effective pretreatment of corn cob was achieved with 1 \% alkali at 50 A degrees C in 4 h. The crystallinity index (CrI) and specific surface area (SSA) of untreated corn cob was 39 \% and 0.52 m(2)/g wherein after alkali pretreatment CrI decreased to 15 \% and SSA increased to 3.32 m(2)/g. The fungal organism was identified as Penicillium pinophilum on the basis of ITS sequence. At 5 \% substrate concentration using a complete cellulase from Penicillium pinophilum the hydrolysis of untreated corn cob with 5, 10 and 20 FPU/g enzyme loadings were 11 \%, 13 \% and 16 \%, whereas after alkali treatment the hydrolysis increased to 78 \%, 90 \% and 100 \%, respectively. Further hydrolytic potential of commercial cellulases viz. Accellerase (TM) 1,000, Palkofeel-30 and Palkocel-40 were investigated under similar conditions.

}, keywords = {Corn cob, Crystallinity index, Enzymatic hydrolysis, Penicillium pinophilum, Specific surface area}, issn = {0273-2289}, doi = {10.1007/s12010-012-9898-y}, author = {Sahare, Padmavati and Singh, Rajkumar and Laxman, Ryali Seeta and Rao, Mala} } @article { ISI:000311350000043, title = {Effect of preparation parameters of Cu catalysts on their physico-chemical properties and activities for glycerol hydrogenolysis}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {321-329}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cu based catalysts were prepared by co-precipitation, alkali fusion followed by precipitation and direct solid state fusion methods. The changes in the phase formation, morphology, crystallite size, extent of aggregation, strength and nature of acid sites were observed due to variations in precipitating agents and also their order of addition. The catalyst prepared by co-precipitation using Na2CO3 showed the predominant presence of metallic Cu phase with a crystallite size of 5 nm, well segregated spherical morphology and highest acidity in the activated sample. These intrinsic properties contributed to achieve the highest glycerol conversion of 62\% and 1,2-PDO selectivity of 88\% in glycerol hydrogenolysis. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Co-precipitation, Cu catalysts, Glycerol hydrogenolysis, Physico-chemical properties, Solid state fusion}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.05.051}, author = {Mane, R. B. and Kondawar, S. E. and Niphadkar, P. S. and Joshi, P. N. and Patil, K. R. and Rode, C. V.} } @article { ISI:000302902200024, title = {Effect of the surface roughness of conducting polypyrrole thin-film electrodes on the electrocatalytic reduction of nitrobenzene}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {3}, year = {2012}, month = {AUG}, pages = {1875-1881}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Conducting polypyrrole (PPy) thin-film electrodes were prepared by the electropolymerization of pyrrole on gold-coated glass plates. Films of various roughnesses were obtained by the variation of the scan rates during electropolymerization. These thin films were modified by doping with 6mM of the dopant NiCl2. The surface morphology of the films was studied by scanning electron microscopy and atomic force microscopy (AFM), which suggested films prepared with a high scan rate were rougher in nature than the films produced with a low scan rate. The electrocatalytic reduction of nitrobenzene was carried out with these electrodes with the cyclic voltammetry technique in acetonitrile containing 0.1M HClO4 as a supporting electrolyte. The various results obtained show that the conducting PPy thin-film electrodes were catalytically active toward the electroreduction process. The modified PPy film electrodes doped with NiCl2 were more active toward nitrobenzene electroreduction than the PPy film alone. The results indicate that the roughness of the films played a very important role in determining their catalytic activity. The PPy films that were more rough in nature were catalytically more active than the smooth films; this may have been due to the availability of more reactive sites in the case of rough films. The apparent diffusion coefficients of the PPy film electrodes were also calculated. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012

}, keywords = {atomic force microscopy (AFM), conducting polymers, Diffusion, surface modification, Thin films}, issn = {0021-8995}, doi = {10.1002/app.34880}, author = {Adhikari, Arindam and Radhakrishnan, S. and Vijayan, M.} } @article { ISI:000302023500063, title = {Efficient, rapid synthesis of bis(indolyl)methane using ethyl ammonium nitrate as an ionic liquid}, journal = {RSC Advances}, volume = {2}, number = {8}, year = {2012}, month = {MAR}, pages = {3525-3529}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and rapid protocol has been developed for an efficient synthesis of bis( indolyl)methane in excellent yields using ethyl ammonium nitrate (EAN) as reusable ionic liquid at room temperature. The protocol involves an electrophilic substitution reaction of indoles with several aldehydes.

}, issn = {2046-2069}, doi = {10.1039/c2ra00849a}, author = {Mulla, Shafeek Abdul Rashid and Sudalai, A. and Pathan, Mohsinkhan Y. and Siddique, Shafi A. and Inamdar, Suleman M. and Chavan, Santosh S. and Reddy, R. Santosh} } @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 { ISI:000307433600013, title = {Enantioselective synthesis of HIV protease inhibitor amprenavir via Co-catalyzed HKR of 2-(1-azido-2-phenylethyl)oxirane}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {11-12}, year = {2012}, month = {JUN}, pages = {898-903}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of the HIV protease inhibitor amprenavir 1 (99\% ee) as well as a formal synthesis of saquinavir 3 have been achieved in high enantiomeric purity starting from commercially available materials. Our strategy mainly comprises a Co-catalyzed two-stereocentred hydrolytic kinetic resolution (HKR) of racemic 2-(1-azido-2-phenylethyl)oxirane as the chirality inducing step. Also presented is a concise synthesis of (S)-3-hydroxytetrahydrofuran 4, the key structural feature, in high enantiomeric purity (98\% ee). (c) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.06.003}, author = {Gadakh, Sunita K. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article {42782, title = {Ethyl oligo-silicates with strong acid heterogeneous polymeric catalysts}, number = {PCT/IB2011/002531}, year = {2012}, month = {MAY}, type = {Application}, abstract = {

The present invention provides a process for the synthesis of ethyl silicate with varying silica concentration, by hydrolysing ethyl silicate in varying water concentration in the presence of sulfonated catalysts having a styrene-divinyl benzene backbone. The present invention further relates to the preparation of beaded crosslinked polymers containing sulfonic acid moieties having an interconnected pore structure and surface area up to 400 m2 /g.

}, author = {Bevara, Madhusudana Rao and Bhongale, Sunil Sitaram and Bhosle, Sonali Madhavrao and Chavan, Nayaku and Chelanattukizhakkemadath, Raman Rajan and Deokar, Sarika Babasaheb and Dhoble, Deepa Arun and Dwivedi, Mayank and Ghorpade, Ravindra V. and Harikrishna, Reghunathan and Dhanasekharan, Janakiraman and John, Aruldoss and Locanindi, Hari Sarvothama Rao and Momin, Mohasin Shamshuddin and Mulani, Khudbudin Baban and Mule, Smita Atmaram and Nalawade, Archana Chetan and Punitharasu, Vellimalai and Qureshi, Mohammed Shadbar and Kumar, Tayal Rajiv and Shaikh, Wasif Abdul Lateef and Sontakke, Kalpana Vishwanathrao and Reddy, Krishna Mohan Srinivasulu and Sriperambudur, Rajesh Kumar and Ponrathnam, Surendra} } @article { ISI:000303426500018, title = {Evidence of cationic Pt active for water-gas shift reaction: Pt-doped BaCeO3 perovskite}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {17}, year = {2012}, month = {MAY}, pages = {9526-9532}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Precious metal incorporated into stable lattices like perovskites can be envisaged as an alternative catalysts to address deactivation problems. Here we report the barium cerate perovskite doped with varying amounts of Pt as catalysts for the water-gas shift reaction whereby ionic Pt is evidenced to be active. It is found that maximum CO conversion occurs above 325 degrees C and increases more than 2-fold after the first cycle. XPS analysis shows that after the first cycle, more ionic Pt species are present on the surface of the catalyst. X-ray and neutron diffraction studies also indicate the presence of oxygen vacancies that increases with increasing Pt substitution.

}, issn = {1932-7447}, doi = {10.1021/jp212211d}, author = {Rajesh, Thattarathody and Rajarajan, Anakot K. and Gopinath, Chinnakonda S. and Devi, R. Nandini} } @article { ISI:000304570000010, title = {Expanding the structural repertoire of beta/alpha Ant-Pro (anthranilic acid-proline) oligomers into gamma/alpha 2-Amb-Pro (2-aminomethyl benzoic acid-proline) oligomers}, journal = {Tetrahedron}, volume = {68}, number = {23}, year = {2012}, month = {JUN}, pages = {4399-4405}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this article, we report a novel class of heterogeneous synthetic oligomers featuring the conformationally constrained amino acid residues - 2-aminomethyl benzoic acid (2-Amb) and proline (Pro) in repeating sequences. Oligomers as large as hexadecamers featuring the conformationally restricted gamma/alpha 2-Amb-Pro motif have been assembled using solution-phase Boc strategy, following multi-step synthetic sequences starting from the commercially available O-toluic acid. EDC-mediated peptide coupling has been found to be optimum for the assembly of the relatively non-polar oligomers, which could be readily purified by the standard column chromatographic purification procedures. This study offers considerable prospects of expanding the structural repertoire of beta/alpha Ant-Pro motif, which has been described earlier to assume right-handed helical architecture displaying robust nine-membered-ring closed network of hydrogen-bonding interactions, into gamma/alpha 2-Amb-Pro motif. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Amino acids, Foldamer, Peptides, Proline, Synthetic oligomers}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.02.006}, author = {Ramesh, Veera V. E. and Priya, Gowri and Rajamohanan, P. R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @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 {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: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 { ISI:000300606400030, title = {Green approach towards size controlled synthesis of biocompatible antibacterial metal nanoparticles in aqueous phase using lysozyme}, journal = {Current Nanoscience}, volume = {8}, number = {1}, year = {2012}, month = {FEB}, pages = {130-140}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Inspired by array of proteins present in nature, we choose lysozyme (hen egg protein) as a model system to synthesize nanoparticles of noble metals to understand the mechanism of interaction as well as to use them for potential applications such as potent antibacterial agents. Lysozyme is a very well studied biomolecule containing aromatic amino acids like tryptophan and tyrosine. Tyrosine has phenoxy group which is considered to be responsible for interacting with the metal ions. Lysozyme can be suitably modified by treatment with N-bromosuccinimide/N-acetylimidazole to obtain tight control over size distribution of nanoparticles. Here we report the direct synthesis of nanocrystals of gold and silver at controlled pH and light conditions without using any known reducing agents. Out of these, synthesis of gold nanoparticles is assisted by the presence of low concentration of Ag+ ions through the galvanic exchange. It is remarkable to note that the structure of protein is not changed drastically as seen by the FTIR studies. As-synthesized lysozyme capped nanoparticles prepared by this method are biocompatible and retain antibacterial property.

}, keywords = {Antibacterial, Biocompatible, Gold, lysozyme, Nanoparticles, Silver}, issn = {1573-4137}, author = {Kumar, Umesh and Ranjan, Amaresh K. and Sharan, Chandrashekhar and Hardikar, Anandwardhan A. and Pundle, Archana and Poddar, Pankaj} } @article { ISI:000302810800004, title = {Green synthetic route to antimalarial and antibacterial agent CJ-15,801 and its isomer cis-CJ-15,801}, journal = {RSC Advances}, volume = {2}, number = {9}, year = {2012}, month = {MAR}, pages = {3596-3598}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An efficient and rapid synthesis of antiplasmodial and antibacterial agent CJ-15,801 and its isomer cis-CJ-15,801 is disclosed. We have made an attempt towards {\textquoteleft}{\textquoteleft}Ideal Synthesis{\textquoteright}{\textquoteright} or a step towards {\textquoteleft}{\textquoteleft}Dial-a-Molecule{\textquoteright}{\textquoteright} by reducing the number of steps, following atom economy, and a green synthetic route.

}, issn = {2046-2069}, doi = {10.1039/c2ra01051h}, author = {Kashinath, K. and Swaroop, Pandrangi Siva and Reddy, D. Srinivasa} } @article { ISI:000307300900016, title = {Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding}, journal = {Chemical Communications}, volume = {48}, number = {71}, year = {2012}, month = {JUL}, pages = {8922-8924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes a set of hybrid foldamers that do not feature inter-residual, but intra-residual backbone hydrogen-bonding, yet adopt a preferentially folded conformation displaying right-handed helical architecture. Conformational ordering is apparently due to the combined conformational restrictions imposed by the conformationally restricted individual amino acid residues with which the oligomers are made of.

}, issn = {1359-7345}, doi = {10.1039/c2cc33235c}, author = {Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Mishra, Deepti and Pal, Sourav and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000308896400057, title = {Heterocyclic tri-urea isocyanurate bridged groups modified periodic mesoporous organosilica synthesized for Fe(III) adsorption}, journal = {Journal of Solid State Chemistry}, volume = {194}, year = {2012}, month = {OCT}, pages = {392-399}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

To achieve a high level of heavy metal adsorption, 1,1{\textquoteright},1 {\textquoteleft}{\textquoteright}-(1,3,5-triazine-2,4,6-triyl)tris(3-(3-(triethoxysilyl) propyl)urea) (TTPU) was synthesized as a novel melamine precursor and incorporated on the silica surface of periodic mesoporous organosilica (PMO). The melamine modified PMOs (MPMOs) were synthesized under acidic conditions using TTPU, tetraethylorthosilicate (TEOS) and Pluronic P123 as a template and the modified PMOs were characterized using the relevant instrumental techniques. The characteristic materials were used as adsorbents for the adsorption of Fe(III) ions. Fe(III) adsorption studies revealed MPMO-7.5 to be a good absorbent with higher adsorption efficiency than other MPMOs. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Adsorption efficiency, Fe(III) adsorption, Melamine, Periodic mesoporous organosilica (PMO)}, issn = {0022-4596}, doi = {10.1016/j.jssc.2012.05.019}, author = {Rana, Vijay Kumar and Selvaraj, M. and Parambadath, Surendran and Chu, Sang-Wook and Park, Sung Soo and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000303362900001, title = {Highly efficient (R-X-R)-type carbamates as molecular transporters for cellular delivery}, journal = {Journal of the American Chemical Society}, volume = {134}, number = {17}, year = {2012}, month = {MAY}, pages = {7196-7199}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The (R-X-R) motif-containing arginine-rich peptides are among the most effective cell-penetrating peptides. The replacement of amide linkages in the (R-X-R) motif by carbamate linkages as in (r-ahx-r)(4) or (r-ahx-r-r-apr-r)(2) increases the efficacy of such oligomers several-fold. Internalization of these oligomers in mammalian cell lines occurs by an energy-independent process. These oligomers show efficient delivery of biologically active plasmid DNA into CHO-K1 cells.

}, issn = {0002-7863}, doi = {10.1021/ja210026m}, author = {Patil, Kiran M. and Naik, Rangeetha J. and Rajpal and Fernandes, Moneesha and Ganguli, Munia and Kumar, Vaijayanti A.} } @article { ISI:000308878400007, title = {Immobilization of enantioselective lipase on soluble supports for kinetic resolution of drug intermediates}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {27}, number = {5}, year = {2012}, month = {SEP}, pages = {499-509}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

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

}, keywords = {Arthrobacter sp lipase, Enantioselectivity, Immobilization, Kinetic resolution, N-vinylpyrrolidone, soluble polymer}, issn = {0883-9115}, doi = {10.1177/0883911512453638}, author = {Chaubey, Asha and Parshad, Rajinder and Taneja, Subhash C. and Deokar, Sarika Babasaheb and Raman, Rajan C. and Ponrathnam, Surendra} } @article { ISI:000306670200022, title = {InCl3-mediated addition of indole to isatogens: an expeditious synthesis of 13-deoxy-isatisine A}, journal = {Chemistry-A European Journal}, volume = {18}, number = {31}, year = {2012}, month = {JUL}, pages = {9601-9611}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A strategy directed towards the total synthesis of isatisine A that involves several late-stage metal-catalyzed transformations that address the key carboncarbon and carbonheteroatom bond formations has been developed. As a part of this strategy, methods for the addition of indoles to isatogens that lead selectively to either 2,2-disubstituted N-hydroxyindolin-3-one or 2,2-disubstituted indolin-3-one compounds have been developed by employing InCl3 as a catalyst or as the reagent. The present methods provide the first examples of the additions of indoles to the isatogen nucleus. To demonstrate its viability, the synthesis of 13-deoxy-isatisine A has been completed in ten steps from a known and easily available lactone.

}, keywords = {indium, indoles, isatogens, Natural products, Total synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201103604}, author = {Kumar, Chepuri V. Suneel and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article { ISI:000310401100058, title = {Inhibition of xyloglucanase from an alkalothermophilic thermomonospora sp by a peptidic aspartic protease inhibitor from Penicillium sp VM24}, journal = {Bioresource Technology}, volume = {123}, year = {2012}, month = {NOV}, pages = {390-399}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A bifunctional inhibitor from Penicilliurn sp VM24 causing inactivation of xyloglucanase from Thermomonospora sp and an aspartic protease from Aspergillus saitoi was identified. Steady state kinetics studies of xyloglucanase and the inhibitor revealed an irreversible, non-competitive, two-step inhibition mechanism with IC50 and K-i; values of 780 and 500 nM respectively. The interaction of o-phthalaldehyde (OPTA)-labeled xyloglucanase with the inhibitor revealed that the inhibitor binds to the active site of the enzyme. Far- and near-UV spectrophotometric analysis suggests that the conformational changes induced in xyloglucanase by the inhibitor may be due to irreversible denaturation of enzyme. The bifunctional inhibitor may have potential as a biocontrol agent for the protection of plants against phytopathogenic fungi. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Aspartic protease, Bifunctional inhibitor, Biocontrol agent, Inactivation mechanism, Xyloglucanase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2012.07.050}, author = {Menon, Vishnu and Rao, Mala} } @article { ISI:000311184500039, title = {Isophorone reactor: modelling and performance enhancement}, journal = {Chemical Engineering Journal}, volume = {207}, number = {SI}, year = {2012}, note = {22nd International Symposium on Chemical Reaction Engineering (ISCRE), Maastricht, NETHERLANDS, SEP 02-05, 2012}, month = {OCT}, pages = {349-367}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The production of isophorone in a reactive distillation column was modelled. Mass transfer and heat transfer accompanied by chemical reactions were incorporated in a dynamic non-equilibrium multistage model. A base case simulation was identified and established. The base case simulation showed the value of key performance indicator that is mass ratio of acetone consumed to isophorone produced as 1.54. The computational model was then used to understand and to evaluate influence of various key design and operating parameters on this key performance indicator. Influence of reactor volume, mass transfer coefficient and feed composition, location and temperature was evaluated. The simulated results indicate that the key performance indicator can be improved (reduce acetone consumed per isophorone produced) by manipulating acetone content in the feed and location of the feed. The presented results will be useful for realising performance enhancement of isophorone and other similar reactors. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Isophorone, Model, Performance enhancement, Reactive distillation}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.06.137}, author = {Darda, Pranay J. and Ranade, Vivek V.} } @article { ISI:000300999700014, title = {Kinetic analysis of 4-isopropylphenol hydrogenation over activated carbon-supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Green Chemistry}, volume = {14}, number = {3}, year = {2012}, month = {Jan}, pages = {633-638}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrogenation behavior of 4-isopropylphenol to 4-isopropylcyclohexanol over activated carbon-supported rhodium catalysts in supercritical carbon dioxide (scCO(2)) at 313 K was studied in a batch reactor and the results were compared with those in 2-propanol. Higher yields of cis-4-isopropylcyclohexanol were obtained in scCO(2) than in 2-propanol, and the formation of a byproduct, isopropylcyclohexane, was suppressed in scCO(2). The catalyst modification with hydrochloric or phosphoric acid enhanced the yield of cis-4-isopropylcyclohexanol in both scCO(2) and 2-propanol solvents. Kinetic analyses of the reaction profiles revealed higher reaction rates in scCO(2) than those in 2-propanol for the 4-isopropylcyclohexanol formation both by the direct hydrogenation of 4-isopropylphenol and by the consecutive hydrogenation of 4-isopropylcyclohexanone, and also revealed that the addition of hydrochloric acid increased the consecutive hydrogenation rate of 4-isopropylcyclohexanone to cis-4-isopropylcyclohexanol, which reduced the total reaction time needed for the complete hydrogenation of 4-isopropylphenol to 4-isopropylcyclohexanol.

}, issn = {1463-9262}, doi = {10.1039/c1gc16038a}, author = {Hiyoshi, Norihito and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @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:000308519200010, title = {Larvicidal potential of mimusops elengi against aedes aegypti (L) and Culex quinquefasciatus (Say)}, journal = {Journal of Vector Borne Diseases}, volume = {49}, number = {2}, year = {2012}, month = {JUN}, pages = {111-113}, publisher = {MALARIA RESEARCH CENTRE, INDIAN COUNCIL MEDICAL RESEARCH-ICMR}, address = {22 SHAM NATH MARG, DELHI, 00000, INDIA}, keywords = {Aedes aegypti, Culex quinquefasciatus, larvicidal activity, Mimusops elengi}, issn = {0972-9062}, author = {Ruikar, Anjali D. and Pawar, Pushpa V. and Sen, Avalokiteswar and Phalgune, Usha D. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000311111300007, title = {Lipase-mediated hydrolysis of flax seed oil for selective enrichment of alpha-linolenic acid}, journal = {European Journal of Lipid Science and Technology}, volume = {114}, number = {11}, year = {2012}, month = {NOV}, pages = {1246-1253}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Polyunsaturated fatty acids (PUFA) are important ingredients of human diet because of their prominent role in the function of human brain, eye and kidney. alpha-Linolenic acid (ALA), a C18, n-3 PUFA is a precursor of long chain PUFA in humans. Commercial lipases of Candida rugosa, Pseudomonas cepacea, Pseudomonas fluorescens, and Rhizomucor miehei were used for hydrolysis of flax seed oil. Reversed phase high performance liquid chromatography followed by gas chromatography showed that the purified oil contained 12 triacylglycerols (TAGs) with differences in fatty acid compositions. Flax seed oil TAGs contained alpha-linolenic acid (50\%) as a major fatty acid while palmitic, oleic, linoleic made up rest of the portion. Among the four commercial lipases C. rugosa has preference for ALA, and that ALA was enriched in free fatty acids. C. rugosa lipase mediated hydrolysis of the TAGs resulted in a fatty acid mixture that was enriched in alpha-linolenic to about 72\% yield that could be further enriched to 80\% yield by selective removal of saturated fatty acids by urea complexation. Such purified ALA can be used for preparation of ALA-enriched glycerides. Practical applications: This methodology allows purifying ALA from fatty acid mixture obtained from flax seed oil by urea complexation.

}, keywords = {a-Linolenic acid, Flax seed oil, Lipases, PUFA, Urea complexation}, issn = {1438-7697}, doi = {10.1002/ejlt.201100384}, author = {Rupani, Banin and Kodam, Kisan M. and Gadre, Ramchandra V. and Najafpour, Ghasem D.} } @article { ISI:000307606000023, title = {Low-molecular-mass aspartic protease inhibitor from a novel penicillium sp.: implications in combating fungal infections}, journal = {Microbiology-SGM}, volume = {158}, number = {7}, year = {2012}, month = {JUL}, pages = {1897-1907}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A low-molecular-mass aspartic protease inhibitor was isolated from a novel Penicillium sp. The inhibitor was purified to homogeneity, as shown by reversed-phase HPLC and SDS-PAGE. The M-r of the inhibitor was 1585 and the amino acid composition showed the presence of D, D, D, E, A, K, L, Y, H, I and W residues. The steady-state kinetic interactions of Aspergillus saitoi aspartic protease with the inhibitor revealed the reversible, competitive, time-dependent tight-binding nature of the inhibitor, with IC50 and K-i values of 1.8 and 0.85 mu M, respectively. Fluorescence spectroscopy and circular dichroism analysis showed that inactivation of the enzyme was due to binding of the inhibitor to the active site. The inhibitor was found to inhibit mycelial growth and spore germination of Aspergillus fumigatus and Aspergillus niger in vitro with MIC values of 1.65 and 0.30 mu g ml(-1), respectively. This study will potentially open the way towards the development of a tight-binding peptidic inhibitor against fungal aspartic proteases to combat human fungal infections.

}, issn = {1350-0872}, doi = {10.1099/mic.0.058511-0}, author = {Menon, Vishnu and Rao, Mala} } @article { ISI:000313404400021, title = {Magnetic properties of nanocrystalline CoFe2O4 synthesized by thermal plasma in large scale}, journal = {Materials Chemistry and Physics}, volume = {137}, number = {2}, year = {2012}, month = {DEC}, pages = {586-595}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The paper reports the large scale synthesis of nanoparticles of CoFe2O4 using thermal plasma reactor by gas phase condensation method. The yield of formation was found to be around 15 g h(-1). The magnetic properties of CoFe2O4, synthesized at different reactor powers, were investigated in view of studying the effect of operating parameters of plasma reactor on the structural reorganization leading to the different cation distribution. The values of saturation magnetization, coercivity and remanent magnetization were found to be influenced by input power in thermal plasma. Although the increase in saturation magnetization was marginal (61 emu g(-1) to 70 emu g(-1)) with increasing plasma power; a significant increase in the coercivity (552 Oe to 849 Oe) and remanent magnetization (16 emu g(-1) to 26 emu g(-1)) were also noticed. The Mossbauer spectra showed mixed spinel structure and canted spin order for the as synthesized nanoparticles. The detailed analysis of cation distribution using the Mossbauer spectroscopy and X-ray photoelectron spectroscopy leads to the conclusion that the sample synthesized at an optimized power shows the different site selective states. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Magnetic materials, magnetic properties, Mossbauer spectroscopy, Nanostructures}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2012.10.007}, author = {Nawale, A. B. and Kanhe, Nilesh S. and Patil, K. R. and Reddy, V. R. and Gupta, A. and Kale, B. B. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @article { ISI:000302150700005, title = {Mapping of tms8 gene for temperature-sensitive genic male sterility (TGMS) in rice (Oryza sativa L.)}, journal = {Plant Breeding}, volume = {131}, number = {1}, year = {2012}, month = {FEB}, pages = {42-47}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Genetic analysis of F-2 and backcross populations of an induced temperature-sensitive genic male sterility (TGMS) mutant source F 61 with normal pollen parents revealed that TGMS trait was controlled by a single recessive gene. Molecular tagging of TGMS trait was attempted using polymorphic randomly amplified polymorphic DNA (RAPD) and simple sequence repeats (SSR) markers through bulked segregant analysis. The RAPD primers UBC 345830, UBC 313927, microsatellites RM224 and RM21 produced putative markers, which differentiate parents and bulks from sterile parent and sterile bulks. The RAPD analysis of individual F-2 plants with the primer UBC345(830) showed perfect marker-phenotype cosegregation. The 830-bp RAPD fragment, which segregated with TGMS locus at a distance of 1.33 cM, was eluted and cloned, and sequence information was used for designing sequence-characterized amplified region (SCAR) primer, which cosegregated with TGMS locus at a distance of 0.8 cM. TGMS locus was mapped onto chromosome 11 using RM21 and RM224, flanking it at a distance of 4.3 and 3.0 cM, respectively. The DNA markers tightly linked to TGMS gene (tms8) in F 61 can be cost effectively used for marker-assisted selection of TGMS trait.

}, keywords = {Bulked segregant analysis, randomly amplified polymorphic DNA, rice, sequence-characterized amplified region, SSR, temperature-sensitive genic male sterility}, issn = {0179-9541}, doi = {10.1111/j.1439-0523.2011.01897.x}, author = {Hussain, Appibhai J. and Ali, Jauhar and Siddiq, Ebrahimali A. and Gupta, Vidya S. and Reddy, Umesh K. and Ranjekar, Prabhakar K.} } @article { ISI:000301406900010, title = {MCM-41 supported phosphotungstic acid for the hydroxyalkylation of phenol to phenolphthalein}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {10}, year = {2012}, month = {MAR}, pages = {3916-3922}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel application of phosphotungstic acid, H3PW12O40 (PWA) supported on MCM-41 molecular sieve as a solid acid catalyst has been demonstrated for the synthesis of phenolphthalein by hydroxyalkylation of phenol and phthalic anhydride. PWA/MCM-41 (20\%) showed the highest activity as compared to that of parent PWA and MCM-41 individually, due to the excellent dispersion of PWA on MCM-41 leading to the redistribution of Bronsted and Lewis acid sites on MCM-41. The effect of PWA loading on phthalic anhydride conversion and phenolphthalein selectivity was also studied. All these prepared catalysts were characterized by XRD, N-2 adsorption-desorption isotherm, pyridine-FTIR, and NH3-TPD. The effect of various reaction parameters, namely, mole ratios, catalyst concentration, temperature, reaction time, and percentage of PWA present in the catalysts on conversion and selectivity of products has been also investigated. The utility of 20\% PWA/MCM-41 catalyst was established by its efficient activity for hydroxyalkylation of phenol and p-cresol with formaldehyde to the corresponding dihydroxydiarylmethane products.

}, issn = {0888-5885}, doi = {10.1021/ie201989g}, author = {Jha, Ajay and Garade, Ajit C. and Mirajkar, Subhash P. and Rode, Chandrashekhar V.} } @article { ISI:000308361400011, title = {MgCl2 center dot 4((CH3)(2)CHCH2OH): a new molecular adduct for the preparation of TiClx/MgCl2 catalyst for olefin polymerization}, journal = {Dalton Transactions}, volume = {41}, number = {37}, year = {2012}, month = {JUL}, pages = {11311-11318}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new molecular adduct of MgCl2 with isobutanol, namely MgCl2 center dot 4((CH3)(2)CHCH2OH) (MgiBOH), has been prepared as a precursor to the supporting material for an olefin polymerization catalyst. The MgiBOH adduct and final titanated Ziegler-Natta catalysts have been thoroughly characterized by powder XRD, thermal analysis, Raman spectroscopy and solid-state NMR for structural and spectroscopy aspects. A peak observed at 712 cm(-1) in the Raman spectra of MgiBOH indicates the characteristic Mg-O-6 breathing mode and the formation of the adduct. The diffraction feature at 2 theta = 7.8 degrees (d = 11.223 angstrom) in the XRD confirms the adduct formation and the layered structure. The aim of the present article is to study how the insertion of a bulky isobutanol moiety affects the structural and electronic properties of the MgCl2 isobutanol molecular adduct. Indeed, the focus of the present study is to explore how the presence of isobutanol, in the initial molecular adduct, influences the final Z-N catalyst properties and its activity.

}, issn = {1477-9226}, doi = {10.1039/c2dt31211e}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000311190800033, title = {MgCl2 center dot 6C(6)H(11)OH: a high mileage porous support for ziegler-natta catalyst}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {45}, year = {2012}, month = {NOV}, pages = {24115-24122}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new and single phase molecular adduct of MgCl2 with six cyclohexanol molecules MgCl2 center dot 6C(6)H(11)OH (MgCyOH) has been synthesized. Structural insight to this adduct was obtained by a variety of physicochemical methods. C-13 CPMAS spectrum and single pulse MAS spectra with high power proton decoupling recorded at different relaxation time showed the presence of two different sets of magnetically unequal cylcohexanol molecules present around Mg2+. A Raman feature of MgCyOH at 712 cm(-1) confirms that cylcohexanol molecules are present around Mg2+ in an octahedral environment. MgCyOH has been used as support material to prepare Ziegler-Natta (Z-N) active catalyst. Textural property of above Z-N catalyst exhibits high surface area (236 m(2)/g) with high porosity. Above active catalyst has been screened for ethylene polymerization. Depending on the cocatalyst employed (Me3Al, Et3Al, and iso-Bu3Al) and ethylene pressure, polyethylene yield varies an order of magnitude, from 378 to 3570 g/g catalyst, indicating a possible creation of different active sites and different interaction between cocatalyst and catalyst.

}, issn = {1932-7447}, doi = {10.1021/jp3074078}, author = {Gnanakumar, Edwin S. and Thushara, K. S. and Gowda, Ravikumar R. and Raman, Sumesh K. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000311184500020, title = {Modeling of liquid propellant combustion chamber}, journal = {Chemical Engineering Journal}, volume = {207}, number = {SI}, year = {2012}, note = {22nd International Symposium on Chemical Reaction Engineering (ISCRE), Maastricht, NETHERLANDS, SEP 02-05, 2012}, month = {OCT}, pages = {151-166}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Liquid propellants are fuels which do not require external supply of oxygen for combustion. These fuels are widely used for propulsion applications in oxygen rare environments (underwater, space). We had previously presented a model for solid propellant decomposition in a combustion chamber. In this study we extend the model for the case of combined solid and liquid propellant combustion. Sub-models relating to solid propellant combustion and outlet flow-rate in the present study are borrowed from the previous study. The combustion chamber is assumed to be a {\textquoteleft}well-mixed reactor{\textquoteright}. A model is developed to characterize the liquid propellant spray assuming the spray is a collection of individually burning droplets. A single droplet decomposition model was developed and used along-with the spray model to solve for the liquid propellant burning rate. Appropriate numerical methods and computer programs were developed to solve the model equations. The model predictions were compared with the experimental data obtained in earlier studies. Appropriate methodology for calibrating the model parameters was developed and its usefulness was demonstrated by comparing the simulated pressure profiles with the experimental pressure profiles. The presented model and results will be useful for selecting appropriate liquid propellants for propulsion systems and for the development of a system level model of propulsion systems. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Liquid propellant, Single droplet decomposition, Spray combustion}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.06.033}, author = {Pandit, Ajinkya V. and Kumar, Ashok and Rao, G. Srinivasa and Kedarnath, C. and Srihari, R. and Ranade, Vivek V.} } @article { ISI:000305444200038, title = {Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {24}, year = {2012}, month = {JUN}, pages = {7357-7366}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Phosphoric acid doped polybenzimidazole is promising electrolyte membranes for high temperature (100 degrees C and above) fuel cells. Proton conduction is governed by the amount of phosphoric acid content in the polymer membrane. In this present work, we perform molecular dynamics simulations on phosphoric acid doped 2-phenyl-1H,1{\textquoteright}H-5,5{\textquoteright}-bibenzo[d]imidazole (monomer unit of polybenzimidazole) to characterize the structural and dynamical properties at varying phosphoric acid content and temperature. From the structural analysis, we have predicted the arrangement of the phosphoric acids, formation of H-bonds in the system, and the contribution of different atoms toward H-bonding. We have also examined the stacking of 2-phenyl-1H,1{\textquoteright}H-5,5{\textquoteright}-bibenzo[d]imidazole molecules and how their arrangement changes with the increasing amount of PA in the system with the help of cluster analysis. From the molecular dynamics simulation conducted at different temperatures and phosphoric acid doping level, we have predicted the diffusion of phosphoric acid and monomer. As a dynamic quantity, we have also calculated ring flipping of the imidazole ring of the monomer.

}, issn = {1520-6106}, doi = {10.1021/jp301117m}, author = {Pahari, Swagata and Choudhury, Chandan Kumar and Pandey, Prithvi Raj and More, Minal and Venkatnathan, Arun and Roy, Sudip} } @article { ISI:000310068800011, title = {Multifaceted folding in a foldamer featuring highly cooperative folds}, journal = {Chemical Communications}, volume = {48}, number = {91}, year = {2012}, month = {SEP}, pages = {11205-11207}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report on the folding pattern observed in a synthetic peptide featuring two highly mutually dependent, yet strikingly dissimilar, closed networks of hydrogen-bonded rings that work in a cumulative fashion to stabilize the entire folded architecture of the peptide. Structural studies unequivocally suggest that disruption of any one of these mutually-dependent hydrogen-bonded networks is deleterious to the stability of the fully folded conformation of the peptide.

}, issn = {1359-7345}, doi = {10.1039/c2cc35649j}, author = {Ramesh, Veera V. E. and Priya, Gowri and Kotmale, Amol S. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {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.} } @proceedings { ISI:000306973500619, title = {Noble metal ions incorporated in lattice points of perovskites - water gas shift activity of BaCe1-xPtxO3-d}, volume = {1447}, year = {2012}, note = {56th DAE-Solid State Physics Symposium (SSPS), SRM Univ, Kattankulathur, INDIA, DEC 19-23, 2011}, month = {JUN}, pages = {1277-1278}, publisher = {Govt India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, address = {2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA}, abstract = {

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

}, keywords = {BaCeO3, Neutron diffraction, Platinum catalysis, WGS reaction}, isbn = {978-0-7354-1044-2}, issn = {0094-243X}, doi = {10.1063/1.4710478}, author = {Jijil, Chamundi P. and Rajarajan, A. K. and Devi, R. Nandini}, editor = {Mittal, R. and Chauhan, A. K. and Mukhopadhyay, R.} } @conference {42775, title = {Non-isothermal kinetics of free-redical polymerization of 2-phenyl ethyl acrylate, paper presented at ?third international multicomponent polymer conference? impc 2012}, booktitle = {Third International Multicomponent Polymer Conference IMPC 2012, Kottayam, India.}, year = {2012}, month = {JAN}, address = {Kottayam, India.}, author = {Ghorpade, Ravindra V. and Rajdeo, K. S. and Ponrathnam S. and Chavan N. N.} } @article { ISI:000307814000728, title = {Novel mechanism involved in temporal regulation of skin pigmentation homeostasis}, journal = {Journal of Investigative Dermatology}, volume = {132}, number = {2}, year = {2012}, note = {42nd Annual Meeting of the European-Society-for-Dermatological-Research (ESDR), Venice, ITALY, SEP 07-10, 2012}, month = {SEP}, pages = {S128}, publisher = {European Soc Dermatol Res (ESDR)}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, issn = {0022-202X}, author = {Ganju, Parul and Natarajan, V. T. and Singh, A. and Vijayan, V. and Dani, Prachi P. and Kar, H. K. and Natarajan, K. and Gadgil, Chetan J. and Rani, R. and Gokhale, R. S.} } @article { ISI:000299582200011, title = {Pd-catalyzed selective hydrosilylation of aryl ketones and aldehydes}, journal = {Tetrahedron Letters}, volume = {53}, number = {2}, year = {2012}, month = {JAN}, pages = {148-150}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pd salts in combination with triethylsilane as hydride source and DMF as solvent has been found to be excellent catalytic combination that selectively reduces aryl ketones and aldehydes under mild conditions to afford triethylsilyloxy compounds in excellent yields. Product selectivity to the respective benzyl alcohols can however be achieved when the reaction was performed in DMF/H2O (4:1) as solvent system. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, Hydrosilylation, Ketones, Palladium, Triethylsilane}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.10.155}, author = {Chouthaiwale, Pandurang V. and Rawat, Varun and Sudalai, Arumugam} } @article { ISI:000303280000009, title = {Photocatalytic degradation of Azo dyes using Au:TiO2, gamma-Fe2O3:TiO2 functional nanosystems}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {2}, year = {2012}, month = {FEB}, pages = {928-936}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

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

}, keywords = {Azo Dye, COD, H2O2, Photocatalysis, TiO2}, issn = {1533-4880}, doi = {10.1166/jnn.2012.5171}, author = {Jagadale, Tushar C. and Kulkarni, Manjusha and Pravarthana, D. and Ramadan, Wegdan and Thakur, Pragati} } @article { ISI:000293570600001, title = {Photocatalytic degradation of phenolics by N-doped mesoporous titania under solar radiation}, journal = {International Journal of Photoenergy}, year = {2012}, month = {MAR}, pages = {Article No. 780562}, publisher = {HINDAWI PUBLISHING CORPORATION}, type = {Article}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {

In this study, nitrogen-doped mesoporous titania was synthesized by templating method using chitosan. This biopolymer chitosan plays the dual role of acting as a template (which imparts mesoporosity) and precursor for nitrogen. BET-SA, XRD, UV-DRS, SEM, and FTIR were used to characterize the photocatalyst. The doping of nitrogen into TiO2 lattice and its state was substantiated and measured by XPS. The photocatalytic activity of the prepared N-doped mesoporous titania for phenol and o-chlorophenol degradation was investigated under solar and artificial radiation. The rate of photocatalytic degradation was observed to be higher for o-chlorophenol than that of phenol. The photodegradation of o-chlorophenol was 98.62\% and 72.2\%, while in case of phenol, degradation to the tune of 69.25\% and 30.58\% was achieved in solar and artificial radiation. The effect of various operating parameters, namely, catalyst loading, pH, initial concentration and the effect of coexisting ions on the rate of photocatalytic degradation were studied in detail.

}, issn = {1110-662X}, doi = {10.1155/2012/780562}, author = {Mangrulkar, Priti A. and Kamble, Sanjay P. and Joshi, Meenal M. and Meshram, Jyotsna S. and Labhsetwar, Nitin K. and Rayalu, Sadhana S.} } @article { ISI:000309072800094, title = {Photopatternable nano-composite (SU-8/ZnO) thin films for piezo-electric applications}, journal = {Applied Physics Letters}, volume = {101}, number = {10}, year = {2012}, month = {SEP}, pages = {104102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Photo-curable nanocomposite material was formulated by embedding ZnO nanoparticles into a SU-8 matrix and studied for its piezoelectric properties for low cost fabrication of self-powered nanodevices. The piezoelectric coefficient of ZnO nanoparticles was observed to be ranging between 15 and 23 pm/V, which is the highest reported. These experimental studies support the recent theoretical predictions where the piezoelectric coefficients in ZnO nanoparticles were found to be higher compared to the thin films because of the surface relaxation induced volume reductions in the nanometer scale. The photo-curable property of these polymer composite films is exploited to demonstrate fabrication of a micro-cantilever test structure. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4748575]

}, issn = {0003-6951}, doi = {10.1063/1.4748575}, author = {Kandpal, Manoj and Sharan, Chandrashekhar and Poddar, Pankaj and Prashanthi, K. and Apte, Prakash R. and Rao, V. Ramgopal} } @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 { ISI:000312542600011, title = {Phytosynthesis of intracellular and extracellular gold nanoparticles by living peanut plant (Arachis hypogaea L.)}, journal = {Biotechnology and Applied Biochemistry}, volume = {59}, number = {6}, year = {2012}, month = {NOV}, pages = {471-478}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Inorganic nanomaterials of different chemical compositions are conventionally synthesized under harsh environments such as extremes of temperature, pressure, and pH. Moreover, these methods are eco-unfriendly and cumbersome, yield bigger particles, and agglomerate because of not being capped by capping agents. In contrast, biological synthesis of inorganic nanomaterials occurs under ambient conditions, namely room temperature, atmospheric pressure, and physiological pH. These methods are reliable, eco-friendly, and cheap. In this paper, we report for the first time the extracellular and intracellular synthesis of gold nanoparticles (GNPs) using living peanut seedlings. The formed GNPs were highly stable in solution and inside the plant tissue. Transmission electron microscopy revealed that extracellular GNPs distributions were in the form of monodispersed nanoparticles. The nanoparticles ranged from 4 to 6 nm in size. The intercellular nanoparticles were of oval shape and size ranged from 5 to 50 nm. Both extracellular and intracellular nanoparticles were further characterized by standard techniques. The formed GNPs inside the plant tissue were estimated by inductively coupled plasma spectrometry. This opens up an exciting possibility of a plant-based nanoparticle synthesis strategy, wherein the nanoparticles may be entrapped in the biomass in the form of a film or produced in the solution, both of which have interesting applications.

}, keywords = {cells, extracellular, living plant, Peanut, root, TEM}, issn = {0885-4513}, doi = {10.1002/bab.1049}, author = {Raju, Dugyala and Mehta, Urmil J. and Ahmad, Absar} } @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: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:000314801600002, title = {Preparation and characterization of calcium silicate for CO2 sorption}, journal = {Adsorption Science \& Technology}, volume = {30}, number = {10}, year = {2012}, month = {DEC}, pages = {817-830}, publisher = {MULTI-SCIENCE PUBL CO LTD}, address = {5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND}, abstract = {

An attempt has been made to develop different samples of calcium silicate and to screen these samples for CO2 sorption and alkalinity in order to achieve maximum CO2 sorption. The CO2 sorption capacity of these samples was examined at different temperatures. Various methods such as solid-solid fusion, sol-gel, molten salt and templates (CTAB, cetyltrimethylammonium bromide or Aliquat 336, tricaprylmethylammonium chloride) were used to prepare the calcium silicate samples. The solid mass of calcium silicate samples were obtained by calcining the solid product obtained in an atmosphere of air or helium at 900 degrees C for 3 hours. The calcium silicate samples were characterized for surface area, alkalinity, scanning electron microscopic images and X-ray diffraction patterns. The temperature profile of CO2 sorption by calcium silicate was studied in the temperature range of 40-850 degrees C. Our results showed that the alkalinity and surface area of calcium silicate were in the range from 2.35 to 20 mmol g(-1) and 1.4 to 10 m(2) g(-1), respectively. The sorption of CO2 at 500 degrees C over calcium silicate for the different Ca/Si mol ratio (range: 1-6) was found to be in the range from 3.12 to 29.96 wt\%. Addition of a promoter such as sodium, potassium, caesium and lanthanum was found to enhance the sorption of CO2 by calcium silicate. Several samples of different mol ratios of Ca/Si prepared by different methods were tested for the sorption of CO2 at 500 degrees C.

}, issn = {0263-6174}, doi = {10.1260/0263-6174.30.10.817}, author = {Kale, Kishor B. and Raskar, Reshma Y. and Rane, Vilash H. and Gaikwad, Abaji G.} } @article { ISI:000303921600036, title = {Probing thermal interactions of ionic liquids with dimethyl sulfoxide}, journal = {Chemphyschem}, volume = {13}, number = {7, SI}, year = {2012}, month = {MAY}, pages = {1927-1933}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Interactions between ionic liquids and dimethyl sulfoxide (DMSO) are probed by isothermal titration calorimetry. The excess partial molar enthalpies of ionic liquids H-IL(E) in DMSO are discussed in terms of solutesolvent interactions. The specific interaction theory originally developed by Pitzer is used to analyze the apparent molar enthalpy phi(L) of ionic liquids in DMSO with the help of ion-interaction parameters. Furthermore, quantitative information on solvent reorganization and clathrate formation is obtained and interpreted.

}, keywords = {calorimetry, dimethyl sulfoxide, ionic liquids, solvent effects, thermochemistry}, issn = {1439-4235}, doi = {10.1002/cphc.201100821}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000306585900004, title = {Production, purification, and characterization of a beta-glucosidase of penicillium funiculosum NCL1}, journal = {Applied Biochemistry and Biotechnology}, volume = {167}, number = {5}, year = {2012}, month = {JUL}, pages = {959-972}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Penicillium funiculosum NCL1, a filamentous fungus, produced significantly higher levels of beta-glucosidase. The effect of initial pH, incubation temperature, and different carbon sources on extracellular beta-glucosidase production was studied in submerged fermentation. At 30 A degrees C with initial pH 5.0, enzyme production was increased by 48-fold upon induction with paper mill waste, as compared to commercial cellulose powder. In zymogram analysis, four isoforms of beta-glucosidases were observed with wheat bran whereas a minimum of one isoform was observed with other carbon sources. A major beta-glucosidase (Bgl3A) with the apparent molecular weight of similar to 120 kDa, induced by paper mill waste, was purified 19-fold to homogeneity, with a specific activity of 1,796 U/mg. Bgl3A was a monomeric glycoprotein with 29\% of neutral carbohydrate content. It showed optimum activity at pH 4.0 and 5.0, optimum temperature at 60 A degrees C, and exhibited a half-life of 1 h at 60 A degrees C. K (m) of Bgl3A was found to be 0.057 mM with p-nitrophenyl beta-d-glucoside and V (max) was 1,920 U/mg. The purified enzyme exhibited glucose tolerance with a K (i) of 1.5 mM. Bgl3A readily hydrolyzed glucosides with beta-linkage. Bgl3A activity was enhanced (156\%) by Zn2+ and was not affected by other metal cations and reagents. The supplementation of Bgl3A (5 U/mg) with Trichoderma reesei cellulase complex (5 FPU/mg) resulted in about 70\% of enhanced glucose production, which emphasizes the industrial importance of Bgl3A.

}, keywords = {beta-Glucosidase, Paper mill waste, Penicillium funiculosum NCL1, Purification, Thermostability}, issn = {0273-2289}, doi = {10.1007/s12010-012-9645-4}, author = {Ramani, Gurusamy and Meera, Balasubramanian and Vanitha, Chinnathambi and Rao, Mala and Gunasekaran, Paramasamy} } @article { ISI:000306146400006, title = {Purification and biochemical characterization of endoglucanase from Penicillium pinophilum MS 20}, journal = {Indian Journal of Biochemistry \& Biophysics}, volume = {49}, number = {3}, year = {2012}, month = {JUN}, pages = {189-194}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Cellulases find increasing prominence in sustainable production of fuel and feedstock from lignocellulosic biomass. The purification and biochemical characterization of individual components of cellulase complex is important to understand the mechanism of their action for the solubilization of crystalline cellulose. In this study, an extra-cellular endoglucanase isolated from culture filtrate of Penicillium pinophilum MS 20 was purified to homogeneity by ammonium sulphate precipitation, ion-exchange chromatography and gel filtration. The purified endoglucanase (specific activity 69 U/mg) was a monomeric protein with molecular mass of 42 kDa, as determined by SDS-PAGE. The endoglucanase was active over a broad range of pH (4-7) with maximum activity at pH 5 and showed optimum temperature of 50 degrees C. It retained 100\% activity at 50 degrees C for 6 h and half- lives of 4 h and 3 h at 60 degrees C and 70 degrees C, respectively. The kinetic constants for the endoglucanase determined with carboxymethyl cellulose as substrate were V-max of 72.5 U/mg and apparent K-m of 4.8 mg/ml. The enzyme also showed moderate activity towards H3PO4 swollen cellulose and p-nitrophenyl beta-D-glucoside, but no activity towards filter paper, Avicel and oat spelt xylan. The activity was positively modulated by 47, 32 and 25\% in the presence of Co2+, Zn2+ and Mg2+, respectively to the reaction mixture. The wide pH stability (4-7) and temperature stability up to 50 degrees C of endoglucanase makes the enzyme suitable for use in cellulose saccharification at moderate temperature and pH.

}, keywords = {Biochemical properties, Carboxymethyl cellulose, Endoglucanase, Penicillium pinophilum MS 20, Purification}, issn = {0301-1208}, author = {Pol, Dipali and Laxman, Ryali Seeta and Rao, Mala} } @article {Poddar, title = {Purification and characterization of an antioxidant protein (similar to 16 kDa) from Terminalia chebula fruit}, journal = {Food Chemistry}, volume = {131}, number = {1}, year = {2012}, month = {MAR}, pages = {141-148}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Terminalia chebula fruit is used as folk medicine in India and Southeast Asia. An antioxidant protein was isolated by bioassay guided fractionation of T. chebula fruit by homogenizing in the citrate phosphate buffer. The isolated protein (TCP-III) obtained from fruit was purified by gel chromatography and preparative HPLC, showed apparent molecular weight of 16 kDa by SDS-PAGE and MALDI-TOF/MS analyses. Amino acid sequence obtained by LC-MSE analysis showed homology with the predicted protein fragments of Populus trichocarpa, putative uncharacterized protein fragments from Oryza sativa and with fragments of 17 kDa thylakoid lumenal protein from Spinacia oleracea. TCP-III exhibited significant radical scavenging in DPPH, NO, H2O2 and ABTS assays. In addition, TCP-III inhibited oxidation of linoleic acid in beta-carotene bleaching assay, reduced ferric ions and chelated ferrous ions. The present finding demonstrates uniquely, for the first time, characterization of an antioxidant protein from T. chebula fruit. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {16 kDa protein molecule of T. chebula, Antioxidant and free radical scavenging activity, Characterization, Purification, Terminalia chebula fruit}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2011.08.048}, author = {Srivastava, Pratibha and Raut, Hema N. and Wagh, Renuka S. and Puntambekar, Hemalata M. 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: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:000298305400004, title = {Recent applications of starch derivatives in nanodrug delivery}, journal = {Carbohydrate Polymers}, volume = {87}, number = {2}, year = {2012}, month = {JAN}, pages = {987-994}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Starch has found use in industries as diverse as food, textiles, cosmetics, plastics, adhesives, paper, and pharmaceuticals. From a pharmaceutical standpoint, starch finds its value in solid-oral dosage forms, where it has been used as a binder, diluent, and disintegrant. However, only recently has the use of starch in nanotechnology started to make significant advances in biomedical applications, including newer drug delivery techniques. There has been a considerable effort to develop biodegradable nanoparticles as effective drug delivery systems. Being cheap, non-toxic, renewable, biodegradable and compatible with many other materials for industrial applications, starch is attracting the interest of drug delivery scientists. We have put together in a short and concise format, recent applications of starch derivatives in the emerging field of nanodrug delivery with the conclusion that a lot still needs to be done. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Applications, nanotechnology, Starch}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2011.09.044}, author = {Rodrigues, Asha and Emeje, Martins} } @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 { ISI:000307077500019, title = {Regulation of BACE1 by miR-29a/b in a cellular model of spinocerebellar ataxia 17}, journal = {RNA Biology}, volume = {9}, number = {6, SI}, year = {2012}, month = {JUN}, pages = {891-899}, publisher = {LANDES BIOSCIENCE}, address = {1806 RIO GRANDE ST, AUSTIN, TX 78702 USA}, abstract = {

Polyglutamine diseases are a class of neurodegenerative disorders characterized by expansion of polyglutamine repeats, protein aggregation and neuronal cell death in specific regions of the brain. The expansion of a polyglutamine repeat in the TATA binding protein (TBP) causes a neurodegenerative disease, Spinocerebellar Ataxia 17 (SC A17). This disease is characterized by intranuclear protein aggregates and selective loss of cerebellar neurons, including Purkinje cells. MicroRNAs are small, endogenous, regulatory non-coding RNA molecules that bind to mRNAs with partial complementarity and interfere in their expression. Here, we used a cellular model of SC A17 where we expressed TBP with 16 (normal) or 59 (pathogenic) polyglutamines and found differential expression of several microRNAs. Specifically, we found two microRNAs, miR-29a/b, were downregulated. With miR-29a/b downregulation, we found an increased expression of targets of miR-29a/b-beta-site amyloid precursor protein cleaving enzyme 1 (BACE 1), p53 upregulated modulator of apoptosis (PUMA) and BAK, increased cytochrome c release and apoptosis. Restoration of miR-29a/b in the pathogenic polyglutamine background reduced the BACE 1 expression. While, antagomiRs against miR-29a/b resulted in an increase in BACE 1 levels and neuronal apoptosis. In spite of the elevation of BACE 1 in Alzhemiers disease, its role in neuronal cell death has not been established. Here, we show that increased BACE 1 expression is not sufficient to cause apoptosis. However restoring level of BACE 1 to normal in polyglutamine cells partially reduced neuronal apoptosis. We show a role for the miR-29a/b-BACE 1 regulatory interaction in SC A17, suggesting that this microRNA could be part of a common molecular mechanism leading to neuronal cell death in multiple neurodegenerative disorders. The identification of a common mechanism of microRNA mediated neurodegeneration not only improves our understanding of the process, but also provides promising and novel therapeutic targets.

}, keywords = {BACE1, miR-29a/b, neurodegeneration, SCA17, TBP}, issn = {1547-6286}, doi = {10.4161/rna.19876}, author = {Roshan, Reema and Ghosh, Tanay and Gadgil, Mugdha and Pillai, Beena} } @article { 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:000298731600002, title = {Reply to the {\textquoteleft}{\textquoteleft}comments to CFD simulation of stirred tanks: comparison of turbulence models. part I: radial flow impellers and part II: axial flow impellers, multiple impellers and multiphase dispersions{\textquoteright}{\textquoteright}}, journal = {Canadian Journal of Chemical Engineering}, volume = {90}, number = {1}, year = {2012}, month = {FEB}, pages = {3-6}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, issn = {0008-4034}, doi = {10.1002/cjce.21610}, author = {Joshi, J. B. and Nere, N. K. and Rane, C. V. and Murthy, B. N. and Mathpati, Channamallikarjun S. and Patwardhan, A. W. and Ranade, V. V.} } @article { ISI:000309597000010, title = {Ruthenium-catalyzed C6-propenylation reactions of substituted pyridine derivatives: directed and direct C-H activation}, journal = {Chemistry-A European Journal}, volume = {18}, number = {42}, year = {2012}, month = {OCT}, pages = {13288-13292}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {alkenylation, C?H activation, nitrogen heterocycles, pyridine derivatives, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.201202379}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI: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:000309462100003, title = {SHI irradiation induced effects in functionalized MWCNTs}, journal = {Radiation Effects and Defects in Solids}, volume = {167}, number = {8, SI}, year = {2012}, month = {FEB}, pages = {569-576}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Multi-walled carbon nanotubes (MWCNTs) have attracted extensive attention globally due to their applications in modern nanotechnology. It is very important to study the effects on these MWCNTs under swift heavy ion (SHI) irradiation since ion irradiation has been recognized as one of the best tools for nanostructuring of materials, in general. Here, we present the effects of 80MeV Ni ions with a fluence ranging from 3 x 10(12) to 3 x 10(13) ions/cm(2) on functionalized MWCNT mats. The properties of pristine and irradiated samples were studied using X-ray diffraction, Raman spectroscopy and transmission electron microscopy. The effects of SHI irradiation on these samples are discussed in detail.

}, keywords = {CNT, Raman, SHI, TEM}, issn = {1042-0150}, doi = {10.1080/10420150.2012.660939}, author = {Saikiran, V. and Pathak, A. P. and Rao, N. Srinivasa and Devaraju, G. and Debgupta, Joyashish and Kyriakou, I. and Emfietzoglou, D.} } @article { ISI:000301406900030, title = {Simulation of settling of solid particles due to sudden impeller stoppage}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {10}, year = {2012}, month = {MAR}, pages = {4112-4118}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tank reactors (STRs), which are used in process industries (for a variety of operations, such as catalytic reactions, dissolution of a solid, crystallization, and so on), often involve handling of solid liquid (gas) systems. The solid suspension and the quality of the suspension are key issues in the design and operation of such stirred reactors. Despite extensive experimental work over previous decades, comprehensive understanding and reliable methods to predict the solids suspension and the quality of the suspension are not yet available. Advances in computational fluid dynamics (CFD) and new experimental techniques offer potentially effective ways of understanding solids suspension in stirred tanks. The present work highlights the potential of using transient measurements by way of the dynamic settling of solid particles because of the sudden stoppage of an impeller to evaluate CFD models. Sudden impeller stoppage results in significantly different conditions, in terms of the ratio of particle diameter to Kolomogorov length scale (d(p)/lambda), as well as the solids volume fraction experienced by solid particles. Therefore, experimental data under such sudden impeller stoppage offer a better way to evaluate the influence of prevailing turbulence and solids volume fraction on effective drag and therefore offer a more-stringent test to CFD models than steady-state profiles. Besides facilitating the development of computational models, the experimental and simulation studies of sudden impeller stoppage also provide useful data to gain insight into the behavior of the stirred tank after abrupt impeller stoppage due to sudden power failure.

}, issn = {0888-5885}, doi = {10.1021/ie2028987}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article { ISI:000309139400020, title = {Simultaneous glycerol dehydration and in situ hydrogenolysis over Cu-Al oxide under an inert atmosphere}, journal = {Green Chemistry}, volume = {14}, number = {10}, year = {2012}, month = {JUL}, pages = {2780-2789}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Among various catalysts screened, the Cu-Al oxide catalyst, prepared by a co-precipitation method, exhibited excellent activity for simultaneous glycerol dehydration and its hydrogenolysis without external hydrogen. Detailed characterization by XRD, XPS, HR-TEM, TPR, etc., showed evidence of Cu2+ in the form of CuO and CuAl2O4, along with Cu-0 and Cu1+ species, which are responsible for their multifunctional roles in glycerol APR, dehydration and hydrogenolysis reactions under inert conditions. This catalyst also presented consistent activity for a duration of 400 h for autogeneous hydrogenolysis of refined glycerol with 36\% selectivity to 1,2-propanediol (1,2-PDO). Manipulating the temperature and feed flow rate conditions, meant that the selectivity to acetol and 1,2-PDO could be tailored as desired. Substantial enhancement in 1,2-PDO selectivity (75\%) was achieved for an aqueous bio-glycerol feed over the same catalyst for 50 h of testing.

}, issn = {1463-9262}, doi = {10.1039/c2gc35661a}, author = {Mane, Rasika B. and Rode, Chandrashekhar V.} } @article { ISI:000306038600023, title = {Slow-tight binding inhibition of pepsin by an aspartic protease inhibitor from streptomyces sp MBR04}, journal = {International Journal of Biological Macromolecules}, volume = {51}, number = {1-2}, year = {2012}, month = {JUL}, pages = {165-174}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present article reports a low molecular weight aspartic protease inhibitor from a Streptomyces sp. MBR04 exhibiting a two-step inhibition mechanism against pepsin. The kinetic interactions revealed a reversible, competitive, slow-tight binding inhibition with an IC50 and K-i values of 4.5 nM and 4 nM respectively. The conformational changes induced upon inhibitor binding to pepsin was monitored by far and near UV analysis, demonstrated that the inhibitor binds to the active site and causes inactivation. Chemical modification of the inhibitor with WRK and TNBS abolished the antiproteolytic activity of the inhibitor. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Aspartic protease inhibitor, Low molecular weight, Slow-tight binding inhibition}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2012.04.002}, author = {Menon, Vishnu and Rao, Mala} } @article {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: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:000311350000002, title = {Special Issue dedicated to Paul Ratnasamy on the occasion of his 70th birthday preface}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {1-2}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.10.011}, author = {Reddy, Benjaram M. and Sivasanker, S. and Ramaswamy, A. V.} } @article { ISI:000310947900008, title = {Stereospecific synthesis of C-arabinofuranosides and carba-disaccharide analogues of Motif C of cell wall AG complex of Mtb}, journal = {Tetrahedron Letters}, volume = {53}, number = {47}, year = {2012}, month = {NOV}, pages = {6347-6350}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple strategy for the synthesis of alpha- and beta-C-arabinofuranosides featuring a furan ring transposition reaction has been developed. A novel double furan ring transposition reaction has proposed and executed for the synthesis of the carba-disaccharide analogue of Motif C of the cell wall AG complex of Mtb. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Arabinose, C-Glycosides, Carba-disaccharide, Cell wall AG complex, Ring transposition}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.09.015}, author = {Patil, Rahul S. and Ahire, Ketan M. and Ramana, C. V.} } @article { ISI:000301509500005, title = {Structural, dynamical, and thermodynamical properties of carbon nanotube polycarbonate composites: a molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {10}, year = {2012}, month = {MAR}, pages = {3083-3091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

All-atom molecular dynamics simulations are performed on pure monomer and trimer of polycarbonate and their mixtures with different molecular weight percentages of embedded single walled carbon nanotubes at different temperatures to study the structural and dynamical properties of the composite system. The diffusion behaviors of monomer, trimer of polycarbonate and carbon nanotubes in composite matrices are investigated and compared with pure matrices in details. Both structural and dynamical properties indicate the weak interaction between the nanotubes and matrix molecules. The high tendency of nanotubes to form bundles is observed during simulation. The bundle formation free energy has been calculated from the potential of mean force calculations. The mechanism and energetics of bundle formation is explored in the atomistic scale. The formation of the carbon nanotube bundle is a favorable process in the oligomeric polycarbonate matrix.

}, issn = {1520-6106}, doi = {10.1021/jp212220m}, author = {Chakraborty, Souvik and Roy, Sudip} } @article { ISI:000312564500027, title = {Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2 {\textquoteleft}-amino-4 {\textquoteleft}-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)}, journal = {Organic Letters}, volume = {14}, number = {24}, year = {2012}, month = {DEC}, pages = {6222-6225}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A first synthetic effort toward total synthesis of highly potent solomonamides is disclosed. An efficient strategy to synthesize this class of compounds, along with the synthesis of a core macrocycle (shown in red) and the key fragment AHMOA, is described.

}, issn = {1523-7060}, doi = {10.1021/ol303149k}, author = {Kashinath, K. and Vasudevan, N. and Reddy, D. Srinivasa} } @article { ISI:000304851500040, title = {Sugar-amino acid cyclic conjugates as novel conformationally constrained hydroxyethylamine transition-state isosteres}, journal = {Tetrahedron Letters}, volume = {53}, number = {26}, year = {2012}, month = {JUN}, pages = {3361-3363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Hydroxyethylamine (HEA) isosteres have previously been shown to display a multitude of biomedical applications. In fact, the first protease inhibitor, saquinavir is an HEA based peptidomimetic. Herein we describe an easy-to-operate synthetic route to a series of carbohydrate-based conformationally constrained hydroxyethylamine (HEA) isosteres featuring amino acid side chains, starting from D-glucose. This class of novel sugar-amino acid-tethered conformationally restricted HEA systems may have bearing in practical application, particularly in the development of conformationally restricted protease inhibitors. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Conformationally constrained, D-Glucose, hydroxyethylamine isosteres, protease inhibitor, Reductive amination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.04.086}, author = {Roy, Arup and Sanjayan, Gangadhar J.} } @article { ISI: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:000303157400022, title = {Synthesis and structural characterization of homochiral homo-oligomers of cis-gamma-methoxy-substituted cis- and trans-furanoid-beta-amino acids}, journal = {European Journal of Organic Chemistry}, number = {13}, year = {2012}, month = {MAY}, pages = {2656-2663}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Herein we describe the synthesis of cis-/trans-3-aminotetrahydrofuran-2-carboxylic acids (cis-/trans-FAA) having a ?-methoxy group cis to the amine. The homo-oligomers of these two diastereomeric FAAs have been prepared. Preliminary investigation of their solution secondary structures revealed that they are the same as the homo-oligomers of the parent cis-/trans-FAA with the methoxy group only being a spectator substituent.

}, keywords = {Amino acids, helical structures, Oxygen heterocycles, Peptides}, issn = {1434-193X}, doi = {10.1002/ejoc.201101424}, author = {Giri, Awadut G. and Jogdand, Ganesh F. and Rajamohanan, Pattuparampil R. and Pandey, Sunil K. and Ramana, Chepuri V.} } @article { ISI:000309382100040, title = {Synthesis of glycidol from glycerol and dimethyl carbonate using ionic liquid as a catalyst}, journal = {Catalysis Communications}, volume = {27}, year = {2012}, month = {OCT}, pages = {184-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transesterification of dimethyl carbonate with glycerol has been investigated using various ionic liquids as catalysts. Synthesis of glycidol with high selectivity (78\%) has been achieved using tetramethylammonium hydroxide ([TMA][OH]) as a catalyst at 80 degrees C. Effect of various reaction conditions on the activity and selectivity was investigated and catalyst concentration had a significant influence on conversion as well as selectivity to glycidol. Activity as well as selectivity of the catalyst decreased significantly with increase in moisture content. Recycle experiment indicated slight drop in glycerol conversion and selectivity to glycidol because of dilution of reaction mixture and also the presence of products from the initial experiment. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Glycerol carbonate, Glycidol, Ionic liquid, Transesterification of glycerol}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.07.003}, author = {Gade, Swapna M. and Munshi, Mudassir K. and Chherawalla, Batul M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000310947900007, title = {Synthesis of isomeric corniculatolides}, journal = {Tetrahedron Letters}, volume = {53}, number = {47}, year = {2012}, month = {NOV}, pages = {6343-6346}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of three natural macrolides 11-O-methylcorniculatolide A, 11-O-methylisocorniculatolide A and isocorniculatolide A is reported using a simple, straight forward and high-yielding route. The present synthesis confirms the assigned molecular structures and provides an access to sufficient quantities of the natural products for the biological evaluation. In addition, we have determined the anti-TB potential of the three natural compounds using Alamar-Blue assay (H(37)Rv) and found no significant inhibitory activity at 100 mu g/ml. Excellent yields, short sequence and useful SAR information are the highlights of the present work. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Diaryl ether, Isocorniculatolide, Macrocyclization, Mitsunobu reaction, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.09.010}, author = {Raut, Gajanan N. and Chakraborty, Kasturi and Verma, Priyanka and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article {43253, title = {TDR Targets: a chemogenomics resource for neglected diseases}, journal = {Nucleic Acids Research}, volume = {40}, year = {2012}, month = {JAN}, pages = {D1118-D1127}, abstract = {The TDR Targets Database (http://tdrtargets.org) has been designed and developed as an online resource to facilitate the rapid identification and prioritization of molecular targets for drug development, focusing on pathogens responsible for neglected human diseases. The database integrates pathogen specific genomic information with functional data (e.g. expression, phylogeny, essentiality) for genes collected from various sources, including literature curation. This information can be browsed and queried using an extensive web interface with functionalities for combining, saving, exporting and sharing the query results. Target genes can be ranked and prioritized using numerical weights assigned to the criteria used for querying. In this report we describe recent updates to the TDR Targets database, including the addition of new genomes (specifically helminths), and integration of chemical structure, property and bioactivity information for biological ligands, drugs and inhibitors and cheminformatic tools for querying and visualizing these chemical data. These changes greatly facilitate exploration of linkages (both known and predicted) between genes and small molecules, yielding insight into whether particular proteins may be druggable, effectively allowing the navigation of chemical space in a genomics context.}, doi = {10.1093/nar/gkr1053}, author = {Magarinos, Maria P. and Carmona, Santiago J. and Crowther, Gregory J. and Ralph, Stuart A. and Roos, David S. and Shanmugam, Dhanasekaran and Van Voorhis, Wesley C.} } @article {42809, title = {Total synthesis and structural revision of stagonolide D}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {FEB}, pages = {2169{\textendash}2175}, abstract = {

The total synthesis of the putative structure of stagonolide D has been completed. The relative and absolute configuration of stagonolide D was established by synthesizing its optical antipode. The adopted strategy involves the construction of the central macrolide employing ring-closing metathesis (RCM), followed by selective protecting group manipulations and a final concomitant -OTBS deprotection and displacement of an -OMs placed next to it, resulting in the formation of the epoxide ring.

}, doi = {10.1021/jo202138g}, author = {Vadhadiya, Paresh M. and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article { ISI:000311926100005, title = {Total synthesis of (-)-isatisine A}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {23}, year = {2012}, month = {DEC}, pages = {10509-10515}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A modular total synthesis of (-)-isatisine A is described in which four consecutive metal-mediated transformations have been employed at the final stage. These include [Pd]-catalyzed Sonogashira coupling, [Pd]-catalyzed nitroalkyne cycloisomerization leading to isatogens, and addition of indoles to isatogens using InCl3- and [Rh]-catalyzed oxidative N-heterocyclization of amino alcohol to form the key amide bond. In addition to these, the removal of the protecting groups has also been carried out in a selective fashion employing either catalytic or stoichiometric metal/metal-based reagents.

}, issn = {0022-3263}, doi = {10.1021/jo302198v}, author = {Patel, Pitambar and Ramana, C. V.} } @article {42808, title = {Total synthesis of ({\textendash})-sacidumlignans B and D}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {JAN}, pages = {1566{\textendash}1571}, abstract = {

The first total synthesis of naturally occurring sacidumlignans A (1), B (2), and D (4) was executed and the absolute configuration of 2 and 4 was determined. A diastereoselective α- methylation of a lactone was used as the key step for the control of the chiral centers of the central lignan core. An acid mediated dehydrative cyclization of an aldehyde to construct the dihydronaphthalene unit of 2 and the aromatization of the intermediate dihydronaphthalene derivative to synthesize 1 are the key reactions employed in this regard.

}, doi = {10.1021/jo2021696}, author = {Rout, Jeetendra Kumar and Ramana, Chepuri V.} } @article { ISI:000305379000012, title = {Transformation of (+/-)-lavandulol and (+/-)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae}, journal = {Bioresource Technology}, volume = {115}, year = {2012}, month = {JUL}, pages = {70-74}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Biotransformation of an irregular monoterpene alcohol, (+/-)-lavandulol [(+/-)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol] (I) and its tetrahydro derivative, (+/-)-tetrahydrolavandulol [(+/-)-2-isopropyl-5-methylhexan-1-ol] (II) were studied using a soil isolated fungal strain Rhizopus oryzae. Five metabolites, 2-((3,3-dimethyloxiran-2-yl)methyl)-3-methylbut-3-en-1-ol (Ia), 2-methyl-5-(prop-1-en-2-yl)hex-2ene-1,6-diol (Ib), 2-methyl-5-(prop-1-en-2-yl)hexane-1,6-diol (Ic), 2-(3-methylbut-2-enyl)-3-methylenebutane-1,4-diol (Id), 5-methyl-2-(2-methyloxiran-2-yl)hex-4-en-1-01 (Ie) have been isolated from the fermentation medium and characterized with lavandulol as a substrate. When tetrahydrolavandulol used as a substrate, two metabolites 2-isopropyl-5-methylhexane-1,5-diol (IIa) and 2-isopentyl-3-methylbutane-1,3-diol (lib) have been isolated from the fermentation medium. Biotransformation studies with R. oryzae clearly indicate that the organism initiates the transformation either by hydroxylation at allylic methyl groups or epoxidation of double bond. GC and GCMS analyses indicated that both (R)and (S)-enantiomers of I and II have been transformed into corresponding hydroxylated or epoxy derivatives, when racemic I and II were used as substrates. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biotransformation, Fungus, Lavandulol, Rhizopus oryzae, Tetrahydrolavandulol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.038}, author = {Daramwar, Pankaj P. and Rincy, Raju and Niloferjahan, Siddiqui and Krithika, Ramakrishnan and Gulati, Arvind and Yadav, Amit and Sharma, Rakesh and Thulasiram, Hirekodathakallu V.} } @article { ISI:000305204500004, title = {Trends in bioconversion of lignocellulose: biofuels, platform chemicals \& biorefinery concept}, journal = {Progress in Energy and Combustion Science}, volume = {38}, number = {4}, year = {2012}, month = {AUG}, pages = {522-550}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Bioconversion of renewable lignocellulosic biomass to biofuel and value added products are globally gaining significant prominence. Market forces demonstrate a drive towards products benign to natural environment increasing the importance of renewable materials. The development of second generation bioethanol from lignocellulosic biomass serves many advantages from both energy and environmental point of views. Biomass an inexpensive feedstock considered sustainable and renewable, is an option with the potential to replace a wide diversity of fossil based products within the energy sector; heat, power, fuels, materials and chemicals. Lignocellulose is a major structural component of woody and non-woody plants and consists of cellulose, hemicellulose and lignin. The effective utilization of all the three components would play a significant role in the economic viability of cellulosic ethanol. Biomass conversion process involves five major steps, choice of suitable biomass, effective pretreatment, production of saccharolytic enzymes-cellulases and hemicellulases, fermentation of hexoses and pentoses and downstream processing. Within the context of production of fuels from biomass, pretreatment has come to denote processes by which cellulosic biomass is made amenable to the action of hydrolytic enzymes. The limited effectiveness of current enzymatic process on lignocellulose is thought to be due to the relative difficulties in pretreating the feedstocks. The present review is a comprehensive state of the art describing the advancement in recent pretreaments, metabolic engineering approaches with special emphasis on the latest developments in consolidated biomass processing, current global scenario of bioethanol pilot plants and biorefinery concept for the production of biofuels and bioproducts. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Consolidated biomass processing, Lifecycle assessment, Lignocellulose, Pre-treatment, Saccharifying enzymes, Value-added products}, issn = {0360-1285}, doi = {10.1016/j.pecs.2012.02.002}, author = {Menon, Vishnu and Rao, Mala} } @article { ISI:000308414500020, title = {Unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone}, journal = {Chemical Communications}, volume = {48}, number = {78}, year = {2012}, month = {AUG}, pages = {9747-9749}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two folded peptides featuring carboxamide and sulfonamide at the core of the peptide fold have been shown to possess almost similar conformational features, despite the well-known fact that carboxamides and sulfonamides have strikingly different hydrogen-bonding and geometrical preferences.

}, issn = {1359-7345}, doi = {10.1039/c2cc34533a}, author = {Vijayadas, Kuruppanthara N. and Davis, Hilda C. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000300458200002, title = {Visible light photoredox catalysis: generation and addition of N-aryltetrahydroisoquinoline-derived alpha-amino radicals to michael acceptors}, journal = {Organic Letters}, volume = {14}, number = {3}, year = {2012}, month = {FEB}, pages = {672-675}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The photoredox-catalyzed coupling of N-aryltetrahydroisoquinoline and Michael acceptors was achieved using Ru(bpy)(3)Cl-2 or [Ir(ppy)(2)-(dtb-bpy)]PF6 in combination with irradiation at 455 nm generated by a blue LED, demonstrating the trapping of visible light generated alpha-amino radicals. While intermolecular reactions lead to products formed by a conjugate addition, in intramolecular variants further dehydrogenation occurs, leading directly to 5,6-dihydroindolo[2,1-a]tetrahydroisoquinolines, which are relevant as potential immunosuppressive agents.

}, issn = {1523-7060}, doi = {10.1021/ol202857t}, author = {Kohls, Paul and Jadhav, Deepak and Pandey, Ganesh and Reiser, Oliver} } @article { ISI:000323842900043, title = {Active sites in modified copper catalysts for selective liquid phase dehydration of aqueous glycerol to acetol}, journal = {RSC Advances}, volume = {3}, number = {37}, year = {2013}, month = {JUL}, pages = {16499-16508}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report here the influence of oxides of various metals viz. Ba, Mg, Zr, Zn, Al, and Cr in modified copper catalysts, on the formation of different copper species and acid sites responsible for dehydration of aqueous glycerol to acetol. These catalysts were prepared by a co-precipitation method, among which the catalysts having higher acid strength and predominant Bronsted acidity (Cu-Mg, Cu-Zr and Cu-Al) gave the highest acetol selectivity (76-92\%), while the catalysts with lower acidity such as Cu-Zn showed very poor (25\%) selectivity to acetol in spite of the highest conversion of 68\%. Nevertheless, catalysts exhibiting higher activity and acetol selectivity also showed the presence of metallic Cu confirmed by XRD and XANES-EXAFS characterization. Based on these results, two different catalytic pathways have been proposed highlighting the role of Lewis and Bronsted acidity along with the metal sites in individual steps of glycerol dehydration reaction.

}, issn = {2046-2069}, doi = {10.1039/c3ra42348d}, author = {Mane, Rasika B. and Yamaguchi, Aritomo and Malawadkar, Atul V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000322068400048, title = {Aminosilicate sol-gel stabilized N-doped TiO2-Au nanocomposite materials and their potential environmental remediation applications}, journal = {RSC Advances}, volume = {3}, number = {32}, year = {2013}, month = {MAY}, pages = {13390-13398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile chemical reduction method to synthesize amine functionalized silicate sol-gel-supported gold-deposited nitrogen-doped Degussa-TiO2 nanocomposite materials (APS/(N-P25-Au)(NCM)) is reported and the materials are characterized by DRS, PL, XRD, TEM, Raman, XPS and BET surface area analysis. The application of the synthesized APS/(N-P25-Au)(N)CM towards environmental remediation processes are investigated by studying the catalytic oxidation of carbon monoxide (CO) and photocatalytic reduction of toxic mercuric (Hg(II)) ions. The catalytic and photocatalytic activity of the prepared catalysts are found to be in the order of APS/(N-P25-Au)(NCM) \>\> APS/(P25-Au)(NCM) \> N-P25 \> P25. The enhanced catalytic and photocatalytic activities of the APS/(N-P25-Au)(NCM) can be attributed to the synergistic effect of Au-nps and N-doped P25. The catalytic activities of the APS/(N-P25-Au)(NCM) are very promising in the field of green technology for the environmental cleaning applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra40573g}, author = {Pandikumar, Alagarsamy and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S. and Ramaraj, Ramasamy} } @article { ISI: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:000320036300013, title = {Ant-pro reverse-turn motif. structural features and conformational characteristics}, journal = {European Journal of Organic Chemistry}, number = {17, SI}, year = {2013}, month = {JUN}, pages = {3529-3542}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

This article details the characteristic conformational features of the Ant-Pro reverse turn ? a folded pseudo -turn motif that displays a closed nine-membered-ring hydrogen-bonded network involving just two amino acid residues, namely anthranilic acid (Ant; a constrained -amino acid), and proline (Pro; a constrained -amino acid). The results from the extensive investigation of ten crystal structures and their NMR conformations in the solution state provide a clear idea about the conformational characteristics of the Ant-Pro reverse turn. The Ant and Pro residues, which form the turn segment, maintain a perfect antiperiplanar orientation throughout, leaving little possibility for the formation of the otherwise possible six-membered hydrogen-bonding that requires a coplanar disposition of the two amino acid residues, as clearly evident from investigation of several crystal structures. The closed hydrogen-bonded network observed in the Ant-Pro reverse turn motif, formed in the forward direction of the sequence (12 amino acid interactions) involving only two amino acid residues, is in stark contrast to the native -turns that involve four residues to form hydrogen-bonded network featuring backward 14 amino acid interactions. The readily available two-residue Ant-Pro motif raises the possibility of a practical utility, particularly in the application of rigidifying flexible peptide backbones by inserting the robust Ant-Pro reverse turn motifs into their backbone.

}, keywords = {Peptides, Peptidomimetics, Protein folding, Protein structures}, issn = {1434-193X}, doi = {10.1002/ejoc.201201739}, author = {Thorat, Vijaykumar H. and Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Kale, Sangram S. and Ramesh, Veera V. E. and Davis, Hilda C. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000321665000007, title = {Applications of lithium zirconium silicate at high temperature for the carbon dioxide sorption and conversion to syn-gas}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {6}, year = {2013}, month = {JUN}, pages = {1569}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The applications of different samples of lithium zirconium silicate contributing to CO2 sorption and conversion of CO2 to syn-gas at high temperatures were investigated. Several samples of lithium zirconium silicate prepared by solid-solid fusion method were calcined in air or nitrogen atmosphere at 900 degrees C for 3 h. The lithium zirconium silicate samples were characterized by acidity/alkalinity, surface area, XRD pattern, SEM images, and CO2 sorption. The alkalinity and surface area of the samples of lithium zirconium silicate were found to be in the range of 15.1 to 20.0 mmol g(-1) and 0.05 to 2.13 m(2) g(-1), respectively. The temperature profile of CO2 sorption by samples of lithium zirconium silicate was given for the range 100 to 700 degrees C. The CO2 sorption was found to be in the range of 12.81 to 18.04 wt.\% at 550 degrees C for samples of lithium zirconium silicate with different Li/Zr/Si mole ratios from 1 to 6. The crystalline phases in the samples of the lithium zirconium silicate, Li6Si2O7, ZrSiO4, Li2SiO3, Li2ZrO3, Li4ZrO4, and Li4SiO4 could contribute to CO2 capture. The conversion of CO2 by methane to syn-gas over the lithium silicate samples and PdO (5 wt.\%)/Al2O3 at 500 degrees C with the gas hourly space velocities 6,000, 12,000, and 36,000 mL h(-1) g(-1) of methane and 6,000 mL h(-1) g(-1) of CO2 was explored. However, the higher conversion of CO2 to syn-gas was observed at the low gas hourly space velocity of 6,000 mL h(-1) g(-1) of methane.

}, keywords = {Applications of lithium zirconium silicate, CO2 sorption, Solid-solid fusion method, Syn-gas, Temperature profile}, issn = {0049-6979}, doi = {10.1007/s11270-013-1569-2}, author = {Raskar, Reshma and Rane, Vilas and Gaikwad, Abaji G.} } @article { ISI:000319545800013, title = {Approach towards biocatalytic valorisation of barley beta-glucan for bioethanol production using 1,3-1,4 beta-glucanase and thermotolerant yeast}, journal = {International Biodeterioration \& Biodegradation}, volume = {82}, year = {2013}, month = {AUG}, pages = {81-86}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The exploitation of renewable resource containing polymers other than cellulose and hemicellulose are critically important for the feasibility of biofuel production. The potential of 1,3-1,4 glucan 4-gluconohydrolyase mediated saccharification of barley beta-glucan (BG) was investigated for ethanol production using thermotolerant Saccharomyces sp. A maximum hydrolysis of 71\% was obtained in 24 h using in-house produced 1,3-1,4 beta-glucanase from an alkalothermophilic Thermomonospora sp. whereas the hydrolysis was 100\% with Accellerase (TM) 1000. The synergistic effect of beta-glucosidase and 1,3-1,4 beta-glucanase was demonstrated by the exogenous addition of beta-glucosidase to Thermomonospora 1,3-1,4 beta-glucanase which resulted in complete hydrolysis of BG. The hydrolysates of BG obtained using Accellerase or a cocktail of Thermomonospora 1,3-1,4 beta-glucanase and beta-glucosidase when fermented with free cells of Saccharomyces at 40 degrees C produced an ethanol yield of 0.44 g g(-1) and 0.46 g g(-1) respectively and when fermented with immobilized cells produced a yield of 0.49 g g(-1). The Ca-alginate immobilized yeast cells were reused nine times at 40 degrees C with 100\% fermentation efficiency. The economics of barley-to-fuel ethanol program will ameliorate if in addition to barley starch, beta-glucan is also utilized. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3-1, 4 Glucan 4-gluconohydrolyase, Barley beta-glucan, Ethanol, Hydrolysis, Synergism, Thermotolerant yeast}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2013.03.002}, author = {Divate, Rupesh and Menon, Vishnu and Rao, Mala} } @article { ISI:000326049600005, title = {Ascertaining universal features of yielding of soft materials}, journal = {Rheologica Acta}, volume = {52}, number = {10-12}, year = {2013}, month = {NOV}, pages = {859-865}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Many metastable complex fluids, when subjected to oscillatory shear flow of increasing strain amplitude at constant frequency, are known to show a characteristic nonlinear rheological response which consists of a monotonic decrease in the elastic modulus and a nonmonotonic change in the loss modulus. In particular, the loss modulus increases from its low strain value, crosses the elastic modulus, and then decreases with further increase in the strain amplitude. Miyazaki et al. (Europhys Lett 75:915-921, 2006) proposed a qualitative argument to explain the origin of the nonmonotonic nature of the loss modulus and suggested that in fact this response could be universal to all complex fluids if they are probed in a certain frequency window in which the fluid is dominantly elastic in the small strain limit. In this letter, we confirm their hypothesis by showing that a wide variety of complex fluids, irrespective of their thermodynamic state under quiescent conditions, indeed show the aforementioned characteristic nonlinear response. We also show that the maximum relative dissipation during yielding occurs when the imposed frequency resonates with the characteristic beta relaxation frequency of the fluid.

}, keywords = {Colloidal suspensions, Entangled melts, Gels, Glasses, Microgels, Rheology, Yielding}, issn = {0035-4511}, doi = {10.1007/s00397-013-0724-4}, author = {Kamble, Samruddhi and Pandey, Anurag and Rastogi, Sanjay and Lele, Ashish K.} } @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:000316636600004, title = {Biodegradation of phenol by the yeast candida tropicalis: an investigation by NMR spectroscopy}, journal = {Applied Biochemistry and Biotechnology}, volume = {169}, number = {7}, year = {2013}, month = {APR}, pages = {2029-2037}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

The process of phenol biodegradation by the yeast Candida tropicalis NCIM 3556 in aqueous medium was studied by H-1, C-13, and DOSY NMR techniques. Samples at regular intervals were centrifuged to separate the cells, and H-1 spectral data were collected at 400 MHz. Though a gradual decrease in the concentration of phenol was observed, after an incubation period of similar to 8 h, formation of any intermediate products could not be detected. Experiments carried out with uniformly C-13-labeled phenol also failed to detect formation of any carboxylic acid intermediates during degradation. The studies indicated that the phenol was completely degraded to carbon dioxide and water in approximately 20 h. Self-diffusion coefficient measurements showed that the lifetime of phenol in the bound form is too small to impart any change in its diffusion behavior and the intermediates formed are converted to carbon dioxide and water at a very fast rate.

}, keywords = {biocatalysis, Carboxylic acid, Diffusion, Enzyme, NMR spectroscopy, phenol}, issn = {0273-2289}, doi = {10.1007/s12010-013-0119-0}, author = {Phalgune, U. D. and Rajamohanan, P. R. and Gaikwad, B. G. and Varma, R. J. and George, S.} } @article { ISI: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:000317327900022, title = {Carboxamide versus sulfonamide in peptide backbone folding: a case study with a hetero foldamer}, journal = {Organic Letters}, volume = {15}, number = {7}, year = {2013}, month = {APR}, pages = {1504-1507}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Strikingly dissimilar hydrogen-bonding patterns have been observed for two sets of closely similar hetero foldamers containing carboxamide and sulfonamides at regular intervals. Although both foldamers maintain conformational ordering, the hydrogen-bonding pattern and backbone helical handedness differ diametrically.

}, issn = {1523-7060}, doi = {10.1021/ol4002762}, author = {Ramesh, Veera V. E. and Kale, Sangram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI: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:000324848000147, title = {Characterisation and determination of in vitro antioxidant potential of betalains from talinum triangulare (Jacq.) willd.}, journal = {Food Chemistry}, volume = {141}, number = {4}, year = {2013}, month = {DEC}, pages = {4382-4390}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Talinum triangulare (Jacq.) Willd is an erect, succulent, perennial herb belonging to the family Portulacaceae. Under extreme environmental conditions, the plant produces betalain pigments which get accumulated in the stem region. Hence, in the present study, the betaxanthin and betacyanin patterns from different samples of T. triangulare have been investigated by applying high-performance liquid chromatography photo-diode array detection (HPLC-PDA) coupled with positive ion electro-spray mass spectrometry. Two betacyanins and two betaxanthins were identified in aqueous methanolic extract of flower, stem and leaf. Betanin, isobetanin, immonium conjugates of betalamic acid with dopamine and tyrosine were elucidated. The total betalain content was estimated by photometric analysis. In vitro antioxidant activity for the betalain extract determined by various methods revealed potent scavenging ability. The current work may possibly be considered beneficial in utilisation of the plant T. triangulare as a natural colourant in food and beverage industries. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Antioxidant, Betalains, HPLC-MS, Portulacaceae, Waterleaf}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2013.06.108}, author = {Swarna, J. and Lokeswari, T. S. and Smita, M. and Ravindhran, R.} } @article { ISI:000326122800047, title = {Characterization of conformation and interaction of gene delivery vector polyethylenimine with phospholipid bilayer at different protonation state}, journal = {Biomacromolecules}, volume = {14}, number = {10}, year = {2013}, month = {OCT}, pages = {3759-3768}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polyethylenimine (PEI) is a pH sensitive polymer possessing stretched and coiled conformation at low and high pH, respectively. It is an efficient gene delivery agent. Thus, the interaction of PEI with the biomembrane is very crucial to understand the gene delivery mechanism. In this report, we have investigated the structural properties of PEI and bilayer due to the interaction of PEI with lipid molecules. PEI has coil structure at high pH while at low pH it is elongated. The neutral PEI chain predominately settles itself at the bilayer water interface. We do not find any disruption or pore formation on the bilayer due to interaction of neutral PEI chain. PEI at low pH gets elongated due to electrostatic interaction between charges of the protonated sites. This protonated PEI chain interacts with bilayer membrane, which leads to formation of water/ion channel through the membrane. We have analyzed the structure of the channel and water dynamics along the channel.

}, issn = {1525-7797}, doi = {10.1021/bm4011408}, author = {Choudhury, Chandan Kumar and Kumar, Abhinaw and Roy, Sudip} } @article { ISI:000313077100009, title = {Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study}, journal = {Journal of Molecular Modeling}, volume = {19}, number = {1}, year = {2013}, month = {JAN}, pages = {109-118}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Benzimidazole-based polymer membranes like poly(2,5-benzimidazole) (ABPBI) doped with phosphoric acid (PA) are electrolytes that exhibit high proton conductivity in fuel cells at elevated temperatures. The benzimidazole (BI) moiety is an important constituent of these membranes, so the present work was performed in order to achieve a molecular understanding of the BI-PA interactions in the presence of varying levels of the PA dopant, using classical molecular dynamics (MD) simulations. The various hydrogen-bonding interactions, as characterized based on structural properties and hydrogen-bond lifetime calculations, show that both BI and PA molecules exhibit dual proton-acceptor/donor functionality. An examination of diffusion coefficients showed that the diffusion of BI decreases with increasing PA uptake, whereas the diffusion of PA slightly increases. The hydrogen-bond lifetime calculations pointed to the existence of competitive hydrogen bonding between various sites in BI and PA.

}, keywords = {Diffusion coefficient, Hydrogen bond, molecular dynamics, Radial distribution functions}, issn = {1610-2940}, doi = {10.1007/s00894-012-1519-8}, author = {More, Minal and Pahari, Swagata and Roy, Sudip and Venkatnathan, Arun} } @article { ISI:000318362400053, title = {Charge storage and electron transport properties of gold nanoparticles decorating a urethane-methacrylate comb polymer network}, journal = {Nanoscale}, volume = {5}, number = {10}, year = {2013}, month = {MAR}, pages = {4404-4411}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We propose enhanced charge storage capacity of nanoparticles based polymer films. A flat band voltage window varying from 5-7 V is obtained leading to a trapped charge density of the order of 10(13) cm(-2). These results vary for two distinct morphologies obtained due to decoration of a urethane-methacrylate comb polymer (UMCP) network by gold nanoparticles (AuNPs). Films have been further investigated for morphology, optical, charge storage, and electron transport properties using techniques like scanning electron microscopy (SEM), atomic force microscopy (AFM), absorption spectroscopy (UV-Vis), scanning tunneling microscopy/spectroscopy (STM/STS) and capacitance versus voltage (C-V) measurements. SEM and AFM confirm either the deposition of AuNPs inside the UMCP network or the formation of ring like structures depending on the deposition sequence. STS measurements performed on both films are compared with bare UMCP and AuNPs films. Current versus voltage (I-V) characteristics so obtained are discussed in the light of electron transport mechanisms in such materials.

}, issn = {2040-3364}, doi = {10.1039/c3nr00330b}, author = {Patil, Sumati and Datar, Suwarna and Rekha, N. and Asha, S. K. and Dharmadhikari, C. V.} } @article { ISI:000324265700009, title = {Cloning and sequence analysis of three variants of the gene encoding alkaline xylanase C from the alkaliphilic bacillus sp (NCL 87-6-10)}, journal = {Biochemical Genetics}, volume = {51}, number = {9-10}, year = {2013}, month = {OCT}, pages = {737-749}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Alkaline xylanase C from the alkaliphilic Bacillus sp. (NCL 87-6-10) has a low molecular weight and alkaline pI and is cellulase-free, properties compatible with its use in the prebleaching of pulp. We report here the cloning and sequence analysis of three variants of the gene encoding xylanase C; xyl C1, xyl C2, and xyl C3. In phylogenetic analysis, the three xylanase C variants clustered into a single group along with other reported alkaline xylanases. Residues contributing to the alkaline pH were present in all three variants. DNA and protein sequence comparison of these variants with other reported alkaline xylanases revealed silent mutations, some of which are due to codon preference in the respective organisms. The recombinant Xyl C1 that was successfully expressed in E. coli BL21 (DE3) had properties similar to the native enzyme.

}, keywords = {Alkaline xylanase C, Alkaliphilic Bacillus sp (NCL 87-6-10), Cloning, E. coli BL21 (DE3) expression, Sequence analysis}, issn = {0006-2928}, doi = {10.1007/s10528-013-9603-z}, author = {Sharma, Poonam and Rele, Meenakshi V. and Kumar, Lalitha Sunil} } @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: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:000312135500006, title = {Crystallisation of ferrous sulphate heptahydrate: experiments and modelling}, journal = {Canadian Journal of Chemical Engineering}, volume = {91}, number = {1}, year = {2013}, month = {JAN}, pages = {47-53}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Crystallisation is an industrially important unit operation for purifying and separating chemical mixtures. A generic crystallisation modelling framework has been implemented in the general process modelling system (gPROMS) software (of PSE, UK). This framework can be used to model the batch cooling crystallisation of ferrous sulphate heptahydrate (FSH). The parameter estimation and sensitivity of the predicted results with various numerical parameters was studied for batch crystalliser. An Excel front-end to the gPROMS model was developed to facilitate the interactive use of the model. (c) 2011 Canadian Society for Chemical Engineering

}, keywords = {batch crystallisation, ferrous sulphate heptahydrate, gPROMS, MSExcel-linking, parameter estimation}, issn = {0008-4034}, doi = {10.1002/cjce.20695}, author = {Shaikh, Latif and Pandit, Aniruddha and Ranade, Vivek} } @article { ISI:000330613400010, title = {Crystallization: key thermodynamic, kinetic and hydrodynamic aspects}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1287-1337}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Crystallization is extensively used in different industrial applications, including the production of a wide range of materials such as fertilizers, detergents, food and pharmaceutical products, as well as in the mineral processing industries and treatment of waste effluents. In spite of the wide-spread use of crystallization, a clear understanding of the thermodynamic, kinetic and hydrodynamic aspects of the design methodologies are not yet well established. More often than not crystallization is still considered an art especially in fine-chemicals, pharmaceuticals and life-sciences sector. It is essential to understand and relate key thermodynamic, kinetic and hydrodynamic aspects to crystallizer performance, not just in terms of yield but also in terms of product quality (characterized by particle size distribution, morphology, polymorphism and the amount of strain as well as the uptake of solvent or impurities in the crystal lattice). This paper attempts to do that by critically reviewing published experimental and modelling studies on establishing and enhancing state-of-the-art thermodynamic, kinetic and hydrodynamic aspects of crystallization. Efforts are made to discuss and raise points for emerging modelling tools needed for a flexible design and operation of crystallizers and crystallization processes that are needed to meet the ever increasing demand on precise product specifications. Focus is on bringing out the trends which can be used as perspectives for future studies in this field.

}, keywords = {CFD, Crystallization, growth, Nucleation, polymorphism, supersaturation}, issn = {0256-2499}, author = {Vedantam, Sreepriya and Ranade, Vivek V.} } @article { ISI:000319721200042, title = {CuCN-Mediated cascade cyclization of 4-(2-bromophenyl)-2-butenoates: a high-yield synthesis of substituted naphthalene amino esters}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {10}, year = {2013}, month = {MAY}, pages = {5045-5050}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new method of CuCN-mediated one-pot cyclization of 4-(2-bromophenyl)-2-butenoates leading to efficient synthesis of substituted naphthalene amino esters including phenanthrene aromatic structural units is described. Deuterium labeling studies establish that this one-pot cascade cyclization proceeds through isomerization of olefin, intramolecular C-C bond cyclization, and aromatization as the key intermediates, all occurring in a single step.

}, issn = {0022-3263}, doi = {10.1021/jo400244h}, author = {Reddy, R. Santhosh and Prasad, Pragati K. and Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000315707600041, title = {Design and performance aspects of a custom-built ambient pressure photoelectron spectrometer toward bridging the pressure gap: oxidation of Cu, Ag, and Au surfaces at 1 mbar O-2 pressure}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {9}, year = {2013}, month = {MAR}, pages = {4717-4726}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The critical features of a custom-built laboratory version ambient pressure photoelectron spectrometer (Lab-APPES) are presented. A double front cone differential pumping arrangement and an aperture free design employed in the electrostatic lens regime improve the data collection and data quality. In contrast to the conventional X-ray photoelectron spectrometers (XPS) operating at ultrahigh vacuum (UHV), it is possible to explore the electronic structure of solid surfaces under working conditions or closer to working conditions with Lab-APPES. Especially surface-dependent phenomena can be explored up to 1 mbar pressure and up to 873 K by conventional heating methods and at least up to 1273 K by a laser heating method. Simultaneous XPS and reaction kinetic measurements on solid surfaces make the Lab-APPES an important tool to measure the dynamic electronic structure changes on material surfaces under reaction conditions. The interaction of O-2 with polycrystalline foils of Cu, Ag, and Au from UHV to 1 mbar and up to 773 K has been studied.

}, issn = {1932-7447}, doi = {10.1021/jp312706s}, author = {Roy, Kanak and Vinod, C. P. and Gopinath, Chinnakonda S.} } @article { ISI:000328153400006, title = {Design of decanter in heterogeneous azeotropic distillation column by minimizing Gibbs free energy}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {8}, number = {6}, year = {2013}, month = {NOV}, pages = {843-848}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this paper, liquid-liquid equilibrium in decanter of heterogeneous azeotropic distillation is solved by minimizing Gibbs free energy, by using global optimization technique. The azeotropic distillation column is modeled by solving material balance, equilibrium and summation equations, and repulsive particle swarm optimization (RPSO), a stochastic global optimization formalism, is employed to predict stable steady state solution in decanter. To verify the performance of the RPSO algorithm, it is compared with equation solving method for liquid-liquid equilibria by considering two azeotropic systems, namely (1) benzene-ethanol-water and (2) furfural-water. The proposed methodology shows feasibility of the RPSO algorithm in predicting liquid-liquid equilibrium in decanter of heterogeneous azeotropic distillation. (c) 2013 Curtin University of Technology and John Wiley \& Sons, Ltd.

}, keywords = {decanter, Gibbs free energy, heterogeneous azeotropic distillation, liquid-liquid equilibrium, Optimization, repulsive particle swarm optimization method}, issn = {1932-2135}, doi = {10.1002/apj.1728}, author = {Rahman, Imran and Ubaidullah, S. and Das, Anwesh Kr.} } @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:000321965700043, title = {Direct contact heat transfer via injecting volatile liquid in a hot liquid pool: generation and motion of bubbles}, journal = {Chemical Engineering Science}, volume = {100}, year = {2013}, note = {11th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering (GLS) Held in Conjunction with 9th World Congress on Chemical Engineering (WCCE) / Asian Pacific Conference on Chemical Engineering (APCChE), Seoul, SOUTH KOREA, AUG 19-22, 2013}, month = {AUG}, pages = {421-432}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Direct contact heat transfer via injection of volatile liquid is an effective strategy for removing heat from a viscous liquid pool. The rapid evaporation effectively removes heat and the generated bubbles move quickly to the top surface. In this paper, we present an experimental and phenomenological analysis of the evaporation of a drop in a slightly miscible liquid. The phenomenon was visualized using a two-dimensional transparent experimental set-up with a single inlet at the bottom. The videos were used to estimate bubble dimensions, its rise velocity, distance from the detachment point, and fraction of vapor and the liquid phases in the evaporating drop. The initial drop size, temperature difference between the hot fluid and the low boiling solvent and the nucleation rate governed the rate of change of the drobble (combined entity of drop and bubble) diameter and its rise velocity. A phenomenological model describing transient behavior of drobble (motion and heat transfer) is developed. The transient variation in the interfacial areas for heat transfer and the projected area were found to have effect on the predictions. The model and results will also provide useful basis for extending the work towards better understanding of direct contact heat transfer in viscous systems like polymerization reactors. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Bubble, Direct contact HT, Drobble, Drop, Evaporation, Slightly miscible liquids}, issn = {0009-2509}, doi = {10.1016/j.ces.2013.02.057}, author = {Kulkarni, Amol A. and Ranade, Vivek V.} } @article { ISI:000318001400027, title = {Diverted total syntheses of potent cell adhesion inhibitor peribysin E analogues}, journal = {Organic Letters}, volume = {15}, number = {8}, year = {2013}, month = {APR}, pages = {1894-1897}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Preliminary results from a program aimed at the creation of a focused library of analogues around the natural product peribysin E, a potent biologically active and structurally fascinating molecule, are reported. The total synthesis of (+/-)-peribysin E was accomplished using a short route. Eight new analogues of the natural compound have been accomplished by means of {\textquoteleft}{\textquoteleft}diverted total synthesis{\textquoteright}{\textquoteright} in less than 10 steps. The present effort highlights protecting-group-free total syntheses and the shortest route to access these functionally embellished hydrindanes.

}, issn = {1523-7060}, doi = {10.1021/ol400555m}, author = {Handore, Kishor L. and Reddy, D. Srinivasa} } @article { ISI:000323590200007, title = {Effect of carbon dioxide pressure on 4-t-butylphenol hydrogenation activity of supported rhodium catalyst}, journal = {Journal of the Japan Petroleum Institute}, volume = {56}, number = {3}, year = {2013}, month = {MAY}, pages = {165-170}, publisher = {JAPAN PETROLEUM INST}, address = {YOYU-KANDA BLDG. 4F, 1-8-4 KANDASUDA-CHO, CHIYODA-KU, TOKYO, 108-0041, JAPAN}, abstract = {

Hydrogenation of 4-t-butylphenol over an activated carbon-supported rhodium catalyst in carbon dioxide solvent was analyzed based on phase observation with a view cell and calculations of the solubility of 4-t-butylphenol using the Peng-Robinson equation of state as a function of carbon dioxide pressure. The reaction experiments showed that the initial reaction rate of 4-t-butylphenol at 313 K under 2 MPa of hydrogen pressure was increased by the addition of carbon dioxide, especially above a total pressure of 11 MPa. Direct visual observation showed that the solubility of 4-t-butylphenol increased with higher carbon dioxide pressure. The calculations based on the Peng-Robinson equation of state also showed that the solubility of 4-t-butylphenol in the 4-t-butylphenol carbon dioxide hydrogen (2 MPa) system at 313 K significantly increased by addition of carbon dioxide above a total pressure of 11 MPa. We concluded that the increase in the hydrogenation rates was caused by the increased concentration of 4-t-butylphenol substrate in the carbon dioxide solvent.

}, keywords = {4-t-Butylphenol hydrogenation, Carbon dioxide solvent, Peng-Robinson equation, Rhodium catalyst, Supercritical fluid}, issn = {1346-8804}, author = {Hiyoshi, Norihito and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000315936700014, title = {Efficient and stereoselective nitration of mono- and disubstituted olefins with AgNO2 and TEMPO}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {9}, year = {2013}, month = {MAR}, pages = {3355-3358}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nitroolefin is a common and versatile reagent. Its synthesis from olefin is generally limited by the formation of mixture of cis and trans compounds. Here we report that silver nitrite (AgNO2) along with TEMPO can promote the regio- and stereoselective nitration of a broad range of olefins. This work discloses a new and efficient approach wherein starting from olefin, nitroalkane radical formation and subsequent transformations lead to the desired nitroolefin in a stereoselective manner.

}, issn = {0002-7863}, doi = {10.1021/ja311942e}, author = {Maity, Soham and Manna, Srimanta and Rana, Sujoy and Naveen, Togati and Mallick, Arijit and Maiti, Debabrata} } @article { ISI:000325950600096, title = {Enantiodivergent routes to (+) and (-)-novioses from (-)-pantolactone}, journal = {RSC Advances}, volume = {3}, number = {43}, year = {2013}, month = {AUG}, pages = {20291-20297}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Noviose, a rare sugar moiety present in many biologically interesting molecules such as novobiocin and tiacumicin was obtained through formal synthesis in (+)- and (-)-forms starting from commercially available (-)-pantolactone in an enantiodivergent manner.

}, issn = {2046-2069}, doi = {10.1039/c3ra42891e}, author = {Rajesh, B. M. and Shinde, Madhuri V. and Kannan, M. and Srinivas, Gujjary and Iqbal, Javed and Reddy, D. Srinivasa} } @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:000328182900006, title = {Ester vs. amide on folding: a case study with a 2-residue synthetic peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {48}, year = {2013}, month = {DEC}, pages = {8348-8356}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although known for their inferiority as hydrogen-bonding acceptors when compared to amides, esters are often found at the C-terminus of peptides and synthetic oligomers (foldamers), presumably due to the synthetic readiness with which they are obtained using protected peptide coupling, deploying amino acid esters at the C-terminus. When the H-bonding interactions deviate from regularity at the termini, peptide chains tend to {\textquoteleft}{\textquoteleft}fray apart{\textquoteright}{\textquoteright}. However, the individual contributions of C-terminal esters in causing peptide chain end-fraying goes often unnoticed, particularly due to diverse competing effects emanating from large peptide chains. Herein, we describe a striking case of a comparison of the individual contributions of C-terminal ester vs. amide carbonyl as a H-bonding acceptor in the folding of a peptide. A simple two-residue peptide fold has been used as a testing case to demonstrate that amide carbonyl is far superior to ester carbonyl in promoting peptide folding, alienating end-fraying. This finding would have a bearing on the fundamental understanding of the individual contributions of stabilizing/destabilizing non-covalent interactions in peptide folding.

}, issn = {1477-0520}, doi = {10.1039/c3ob41967c}, author = {Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Gawade, Rupesh L. and Kotmale, Amol S. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {42806, title = {Evaluation of viability of halogen{\textbullet}{\textbullet}{\textbullet}O2N interactions: insight form crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups}, journal = {CrystEngComm}, volume = {15}, year = {2013}, month = {APR}, pages = {5283-5300}, abstract = {

A series of isomeric triaryl compounds with a modular positioning of the halogen and NO2 groups have been synthesized by the azide{\textendash}alkyne {\textquotedblleft}click reaction{\textquotedblright} and have been characterized by single crystal X-ray structure analysis. This isomeric series has provided an opportunity for understanding the efficiency of the bifurcated halogen...NO2 synthon in the organization of the molecules in the crystalline lattice. The changes in molecular conformation, crystal packing and supramolecular aggregation due to the change in the relative positioning of the complementary groups, halogen atom and the NO2 group on ring A and ring C respectively, have been discussed. All the isomers synthesized are crystalline and establish the triazole as a reliable linker for crystal engineering oriented molecular synthesis. The 2-NO2 derivatives display in general, a helical architecture and 3-NO2 derivatives exhibit a centrosymmetric dimeric assembly via the complementary C{\textendash}H...O interactions leading to either a helical or a 2-dimensional sheet pattern. The molecular organization in 4-NO2 derivatives revealed in general a 2D sheet pattern.

}, doi = {10.1039/C3CE40192H}, author = {Ramana, Chepuri V. and Goriya, Yogesh and Durugkar, Kulbhushan A. and Chatterjee, Soumitra and Krishnaswamy, Shobhana and Gonnade, Rajesh G.} } @article { ISI:000326116600039, title = {Evidence and characterization of dynamic heterogeneity in binary mixtures of phosphoric acid and benzimidazole}, journal = {Journal of Chemical Physics}, volume = {139}, number = {15}, year = {2013}, month = {OCT}, pages = {154701}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report here anomalous diffusions of components in mixtures of monomer of polybenzimidazole, i.e., 2-phenyl-1H, 1{\textquoteright}H-5,5{\textquoteright}-bibenzo[d] imidazole (BI) and phosphoric acid (PA) from molecular dynamics simulations. We have observed initial drop and further increase in self-diffusion constant for both monomer molecule (BI) and PA with gradual increase in PA concentration. The origin of such anomalous diffusion is identified in this work, which happens to be the presence of dynamic heterogeneity in each component of the binary mixture. We characterized microscopic picture of dynamical heterogeneity by finding correlation between dynamical heterogeneity and structural arrangement among the components of the binary system. Different types of H-bonding arrangements in the BI-PA systems at different concentration of PA are observed. The stability of the H-bonded network consisting of different types of H-bonds between BI and PA in the system has been studied by calculating the lifetime of various H-bonds. The results indicate that there are fast and slow moving PA molecules in the mixtures because of coexistence of different types of hydrogen bonds among the components of the mixture. (C) 2013 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4824767}, author = {Pahari, Swagata and Roy, Sudip} } @article { ISI:000317836000016, title = {Extra- and intracellular gold nanoparticles synthesis using live peanut callus cells}, journal = {Current Nanoscience}, volume = {9}, number = {1}, year = {2013}, month = {FEB}, pages = {107-112}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

An important challenge of considerable topical significance in nanotechnology is the development of eco-friendly experimental processes for the synthesis of nanomaterials in large quantities with variable sizes, shapes and chemical compositions. Green synthesis routes for the production of inorganic metal nanoparticles using whole cell of microorganisms and plant extracts are gaining tremendous popularity as these are non-toxic, cheap and occur at ambient conditions. The present work emphasizes on gold nanoparticles synthesis protocol using live plant callus cells. Peanut callus cells when incubated with HAuCl4 solution in ambient conditions reduced the precursor and lead to formation of well dispersed, water soluble extracellular and intracellular gold nanoparticles within 24 hours. The biosynthesis of gold nanoparticles was monitored by UV-visible spectroscopy (UV-Vis) and further characterized by X-ray diffraction analysis (XRD), Energy Dispersive Spectroscopy (EDS) and Selected Area Electron Diffraction (SAED). The particle size distribution shows that the average particle size is 50 nm for extra-and 31 nm for intracellular gold nanoparticles. The nanoparticles may be stabilized by proteins secreted by callus cells. The reduction process is believed to occur enzymatically, thus creating the possibility of a rational, plant cell-based method for the synthesis of nanoparticles over a wide range of chemical compositions.

}, keywords = {Biosynthesis, callus, gold nanoparticles, live cells, Peanut, TEM}, issn = {1573-4137}, author = {Raju, D. and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000328864800072, title = {First total synthesis of hunanamycin A}, journal = {Organic Letters}, volume = {15}, number = {17}, year = {2013}, month = {SEP}, pages = {4556-4559}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of hunanamycin A, an antibiotic natural product with a pyrido[1,2,3-de]quinoxaline-2,3-dione core from a marine-derived Bacillus hunanensis, is disclosed. The present effort provides access to sufficient amounts of scarce hunanamycin A for further biological evaluation and confirmation of the assigned absolute configuration. In addition, four new analogues of the natural product are reported.

}, issn = {1523-7060}, doi = {10.1021/ol402110e}, author = {Shingare, Rahul D. and Velayudham, R. and Gawade, Jalindar R. and Reddy, D. Srinivasa} } @article { ISI: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:000319027400029, title = {Functional and disordered meso-macroporous gamma-Al2-xMxO3 +/- y (M = Cu and/or Ce)}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {13}, number = {4, SI}, year = {2013}, month = {APR}, pages = {2682-2688}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {Disordered meso-macro porous Cu-Ce-Al2O3 nanocomposite (gamma-Al2-xMxO3 +/- y, M = Cu and or Ce) with different compositions has been synthesized. In situ templated sol-gel method has been adopted with simple EDTA ethylenediamine tetra aceticacid and ethylenediamine molecules to prepare gamma-Al2-xMxO3 +/- y, (M = Cu and or Ce). Above meso-macro porous materials were characterized by structural, spectroscopy, microscopy and textural techniques. Detailed characterization indicates that Cu2+ ions are introduced into the ceria and alumina lattice positions. Nano composite nature of the gamma-Al2-xMxO3 +/- y has been confirmed by detailed microscopy investigations. Catalytic activity of the above nanocomposite materials have been screened for environmentally important CO oxidation reaction. 30\% Ce-60\% Al and 10\% Cu containing material shows the best activity among other meso-nnacroporous material with (50\%) 100\% CO oxidation at (107 degrees C) 145 degrees C.}, keywords = {Alumina, CO oxidation, heterogeneous catalysis, Meso-Macroporous Material, Nanocomposite, Sol-gel synthesis}, issn = {1533-4880}, doi = {10.1166/jnn.2013.7384}, author = {Gnanakumar, Edwin S. and John, Jino C. and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article { ISI:000313165500067, title = {Functional characterization, homology modeling and docking studies of beta-glucosidase responsible for bioactivation of cyanogenic hydroxynitrile glucosides from Leucaena leucocephala (subabul)}, journal = {Molecular Biology Reports}, volume = {40}, number = {2}, year = {2013}, month = {FEB}, pages = {1351-1363}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Glycosyl hydrolase family 1 beta-glucosidases are important enzymes that serve many diverse functions in plants including defense, whereby hydrolyzing the defensive compounds such as hydroxynitrile glucosides. A hydroxynitrile glucoside cleaving beta-glucosidase gene (Llbglu1) was isolated from Leucaena leucocephala, cloned into pET-28a (+) and expressed in E. coli BL21 (DE3) cells. The recombinant enzyme was purified by Ni-NTA affinity chromatography. The optimal temperature and pH for this beta-glucosidase were found to be 45 A degrees C and 4.8, respectively. The purified Llbglu1 enzyme hydrolyzed the synthetic glycosides, pNPGlucoside (pNPGlc) and pNPGalactoside (pNPGal). Also, the enzyme hydrolyzed amygdalin, a hydroxynitrile glycoside and a few of the tested flavonoid and isoflavonoid glucosides. The kinetic parameters K (m) and V (max) were found to be 38.59 mu M and 0.8237 mu M/mg/min for pNPGlc, whereas for pNPGal the values were observed as 1845 mu M and 0.1037 mu M/mg/min. In the present study, a three dimensional (3D) model of the Llbglu1 was built by MODELLER software to find out the substrate binding sites and the quality of the model was examined using the program PROCHEK. Docking studies indicated that conserved active site residues are Glu 199, Glu 413, His 153, Asn 198, Val 270, Asn 340, and Trp 462. Docking of rhodiocyanoside A with the modeled Llbglu1 resulted in a binding with free energy change (Delta G) of -5.52 kcal/mol on which basis rhodiocyanoside A could be considered as a potential substrate.

}, keywords = {Glycosyl hydrolase family 1, homology modeling, Leucaena leucocephala, Molecular docking}, issn = {0301-4851}, doi = {10.1007/s11033-012-2179-6}, author = {Shaik, Noor M. and Misra, Anurag and Singh, Somesh and Fatangare, Amol B. and Ramakumar, Suryanarayanarao and Rawal, Shuban K. and Khan, Bashir Mohammad} } @article { ISI:000319134800020, title = {Functional characterization of a flavonoid glycosyltransferase gene from withania somnifera (Ashwagandha)}, journal = {Applied Biochemistry and Biotechnology}, volume = {170}, number = {3}, year = {2013}, month = {JUN}, pages = {729-741}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Glycosylation of flavonoids is mediated by family 1 uridine diphosphate (UDP)-dependent glycosyltransferases (UGTs). Until date, there are few reports on functionally characterized flavonoid glycosyltransferases from Withania somnifera. In this study, we cloned the glycosyltransferase gene from W. somnifera (UGT73A16) showing 85-92 \% homology with UGTs from other plants. UGT73A16 was expressed as a His(6)-tagged fusion protein in Escherichia coli. Several compounds, including flavonoids, were screened as potential substrates for UGT73A16. HPLC analysis and hypsochromic shift indicated that UGT73A16 transfers a glucose molecule to several different flavonoids. Based on kinetic parameters, UGT73A16 shows more catalytic efficiency towards naringenin. Here, we explored UGT73A16 of W. somnifera as whole cell catalyst in E. coli. We used flavonoids (genistein, apigenin, kaempferol, naringenin, biochanin A, and daidzein) as substrates for this study. More than 95 \% of the glucoside products were released into the medium, facilitating their isolation. Glycosylation of substrates occurred on the 7- and 3-hydroxyl group of the aglycone. UGT73A16 also displayed regiospecific glucosyl transfer activity towards 3-hydroxy flavone compound, which is the backbone of all flavonols and also for a chemically synthesized compound, not found naturally. The present study generates essential knowledge and molecular as well as biochemical tools that allow the verification of UGT73A16 in glycosylation.

}, keywords = {Flavonoid, glycosylation, Glycosyltransferase, Hypsochromic shift, Plant secondary product glycosyltransferase (PSPG), Withania somnifera}, issn = {0273-2289}, doi = {10.1007/s12010-013-0230-2}, author = {Singh, Somesh and Vishwakarma, Rishi. K. and Kumar, R. J. Santosh and Sonawane, Prashant D. and Ruby and Khan, Bashir Mohammad} } @article { ISI:000323669900005, title = {Functional characterization of a glucosyltransferase specific to flavonoid 7-O-glucosides from withania somnifera}, journal = {Plant Molecular Biology Reporter}, volume = {31}, number = {5}, year = {2013}, month = {OCT}, pages = {1100-1108}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Flavonoids are a large class of phenylpropanoid-derived secondary metabolites, which are usually glycosylated by UDP-glycosyltransferases with one or more sugar groups. Here, we report the cloning and biochemical characterization of a flavonoid glycosyltransferase gene from Withania somnifera (WsGT), which is an important medicinal plant used in Ayurvedic formulations. Using PCR primers, designed for a highly conserved region of previously reported glycosyltransferases, we were able to isolate the corresponding fragment of the WsGT gene. Rapid amplification of cDNA ends (RACE) was then employed to isolate full-length cDNA, which had an open reading frame of 1,371 bp that encode for 456 amino acids. Phylogenetic analysis indicated that WsGT was similar to that of family 1 GT-B glycosyltransferase. Biochemical analysis revealed that WsGT interacts with UDP-glucose and was capable of regiospecifically glycosylating flavonoid-7-ols, such as apigenin, naringenin, luteolin, diadzein and genistein. Expression profiling studies showed that WsGT was highly expressed in young and mature leaves of W. somnifera. Furthermore, exposure to salicylic acid enhanced the expression of WsGT in the leaves and heat shock treatment resulted in decreased expression of WsGT after an initial increase. This may suggest the role of WsGT in response to abiotic/biotic stresses.

}, keywords = {Diadzein, Flavonoids, Glycosyltransferase, Withania somnifera}, issn = {0735-9640}, doi = {10.1007/s11105-013-0573-4}, author = {Kumar, R. J. Santosh and Ruby and Singh, Somesh and Sonawane, Prashant D. and Vishwakarma, R. K. and Khan, Bashir Mohammad} } @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:000326674800001, title = {GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives}, journal = {Magnetic Resonance in Chemistry}, volume = {51}, number = {12}, year = {2013}, month = {DEC}, pages = {767-774}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Density functional theory (DFT)/Becke-Lee-Yang-Parr (B3LYP) and gauge-including atomic orbital (GIAO) calculations were performed on a number of 1,2,4-triazole derivatives, and the optimized structural parameters were employed to ascertain the nature of their predominant tautomers. C-13 and N-15 NMR chemical shifts of 3-substituted 1,2,4-triazole-5-thiones and their propargylated derivatives were calculated via GIAO/DFT approach at the B3LYP level of theory with geometry optimization using a 6-311++G** basis set. A good agreement between theoretical and experimental C-13 and N-15 NMR chemical shifts could be found for the systems investigated. The data generated were useful in predicting N-15 chemical shifts of all the nitrogen atoms of the triazole ring, some of which could not be obtained in solution state N-15 HMBC/HSQC NMR measurements. The energy profile computed for the dipropargylated derivatives was found to follow the product distribution profile of regioisomers formed during propargylation of 1,2,4-triazole thiones. Copyright (c) 2013 John Wiley \& Sons, Ltd.

}, keywords = {1, 2, 4-triazole-5-thiones, C-13, DFT, GIAO, N-15, NMR, Regioisomers, tautomers}, issn = {0749-1581}, doi = {10.1002/mrc.4012}, author = {Phalgune, Usha D. and Vanka, Kumar and Rajamohanan, P. R.} } @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:000316583700015, title = {Heterogeneous Co3O4 catalyst for selective oxidation of aqueous veratryl alcohol using molecular oxygen}, journal = {Catalysis Communications}, volume = {33}, year = {2013}, month = {MAR}, pages = {66-69}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nano-structured, spinel Co3O4 catalyst was developed for the aqueous phase oxidation of veratryl alcohol, which showed the highest conversion of 85\% with 96\% selectivity to veratryl aldehyde. The co-existence of Co3+ and Co2+ species in the octahedral and tetrahedral positions respectively, was confirmed by XPS, cyclic voltammogram, TPR and TPO characterization. The rod-like morphology of Co3O4 catalyst was confirmed by HRTEM. The effects of various reaction parameters namely, catalyst concentration, temperature and partial oxygen pressure on conversion and selectivity patterns were also studied for the oxidation of veratryl alcohol. This catalyst also showed an excellent stability as evidenced by successful reusability for three times. (C) 2012 Published by Elsevier B.V.

}, keywords = {Co3O4, Cyclic voltammogram, Liquid phase oxidation, Molecular oxygen, Veratryl alcohol, XPS}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.12.015}, author = {Mate, Vivek R. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article {42573, title = {Heterovalent cation substitutional doping for quantum dot homojunctions}, journal = {Nature Communications}, volume = {4}, year = {2013}, month = {DEC}, pages = {Article number: 2981}, abstract = {

Colloidal quantum dots have emerged as a material platform for low-cost high-performance optoelectronics. At the heart of optoelectronic devices lies the formation of a junction, which requires the intimate contact of n-type and p-type semiconductors. Doping in bulk semiconductors has been largely deployed for many decades, yet electronically active doping in quantum dots has remained a challenge and the demonstration of robust functional optoelectronic devices had thus far been elusive. Here we report an optoelectronic device, a quantum dot homojunction solar cell, based on heterovalent cation substitution. We used PbS quantum dots as a reference material, which is a p-type semiconductor, and we employed Bi-doping to transform it into an n-type semiconductor. We then combined the two layers into a homojunction device operating as a solar cell robustly under ambient air conditions with power conversion efficiency of 2.7\%.

}, doi = {10.1038/ncomms3981}, author = {Stavrinadis, Alexandros and Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Diedenhofen, Silke L. and Magen, Cesar and Martinez, Luis and So, David and Konstantatos, Gerasimos} } @article { ISI:000326900600016, title = {Highly efficient povidone-phosphotungstic acid catalyst for the tandem acetalization of aldehydes to bis- and tris(indolyl)methanes}, journal = {ChemPlusChem}, volume = {78}, number = {11}, year = {2013}, month = {NOV}, pages = {1393-1399}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A novel, nonleachable hybrid of heteropoly acid and polyvinylpyrrolidone (or povidone) catalyzes the acetalization of aldehydes in methanol at room temperature followed by reaction with indole to give bis(indolyl)methanes (BIMs) and tris(indolyl)methanes (TIMs) in quantitative yields (90-97\%). The catalyst was shown by pyridine FTIR spectroscopy to possess BrOnsted acidity, and the hybrid formation was confirmed by XRD and (PNMR)-P-31 studies. Friedel-Crafts alkylation of indole as well as the tandem synthesis of BIMs and TIMs were established with several types of carbonyl and indole substrates to give the corresponding products quantitatively. The catalyst was recycled efficiently for three successive runs without losing its original activity.

}, keywords = {acetals, Acidity, aldehydes, heterogeneous catalysis, heteropoly acids}, issn = {2192-6506}, doi = {10.1002/cplu.201300248}, author = {Kamble, Sumit B. and Swami, Rameshwar K. and Sakate, Sachin S. and Rode, Chandrashekhar V.} } @article { ISI:000323110700013, title = {Highly selective liquid-phase aerobic oxidation of vanillyl alcohol to vanillin on cobalt oxide (Co3O4) nanoparticles}, journal = {New Journal of Chemistry}, volume = {37}, number = {9}, year = {2013}, month = {JUN}, pages = {2669-2674}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Spinel Co3O4 nanoparticles prepared by solution phase method having particle size in the range of 12-20 nm exhibited excellent activity for the liquid-phase aerobic oxidation of vanillyl alcohol with 80\% conversion and 98\% selectivity to vanillin. Our catalyst could be reused three times without appreciable loss in activity. The catalytic activity of the Co3O4 nanoparticles was found to be similar to its homogenous precursor (cobalt acetate) and greater than the commercial Co3O4 oxide. The detailed characterization results of morphology, size and structure of the prepared Co3O4 nanoparticles obtained by XRD, FT-IR, H-2-TPR, HR-TEM and cyclic voltammetry technique were used to understand the roles of various Co species in directing the selectivity towards vanillin.

}, issn = {1144-0546}, doi = {10.1039/c3nj00508a}, author = {Jha, Ajay and Rode, Chandrashekhar V.} } @article { ISI:000327053200023, title = {High-resolution outgoing longwave radiation dataset from Kalpana-1 satellite during 2004-2012}, journal = {Current Science}, volume = {105}, number = {8}, year = {2013}, month = {OCT}, pages = {1124-1133}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Long record of high-resolution quality-controlled outgoing longwave radiation (OLR) from geostationary platforms like Kalpana-1 has the potential not only to provide detailed information of cloud types contributing to the measure of rain, but also helps unravel convective cloud organization in the tropics from small scale to meso- and synoptic scales. A research quality product of three hourly OLR for the period May 2004 June 2012 is produced from Kalpana-1 very high resolution radiometer (VHRR) radiances over the Indian region (40 degrees S-40 degrees N, 25-125 degrees E) in a regular grid of 0.25 x 0.25 degrees. The quality and usefulness of the dataset is demonstrated here using some illustrative examples. Although these data are available for a relatively short-period, it is shown that they will be potentially more useful than the widely used OLR from NOAA satellites in representing the annual cycles, particularly over the desert and humid oceans, due to their frequent sampling and quality. The active-break periods in the Indian summer monsoon picked up by both the OLR match well. This three hourly OLR estimated from Kalpana-1 VHRR is able to describe the fine-scale structure of the diurnal variation over the region.

}, keywords = {Active break periods, diurnal variation, geostationary platforms, outgoing longwave radiation}, issn = {0011-3891}, author = {Mahakur, M. and Prabhu, A. and Sharma, A. K. and Rao, V. R. and Senroy, S. and Singh, Randhir and Goswami, B. N.} } @article {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 { ISI:000318565500012, title = {Interesting thermal variations owing to cationic ring structural features in protic ionic liquids}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {21}, year = {2013}, month = {APR}, pages = {8050-8053}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The present communication divulges interesting thermal behavior of different protic ionic liquids arising due to the hydrophobicity modifications in their parent cationic ring structures. This work assists us in differentiating between protic ionic liquids, their aprotic counterparts and common electrolytes in water. The thermal signatures produced by protic ionic liquids, aprotic ionic liquids and electrolytes emerge as individual fingerprints for them.

}, issn = {1463-9076}, doi = {10.1039/c3cp50314c}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000324494000004, title = {Isolation, purification and characterization of vinblastine and vincristine from endophytic fungus fusarium oxysporum isolated from catharanthus roseus}, journal = {Plos One}, volume = {8}, number = {9}, year = {2013}, month = {SEP}, pages = {UNSP e71805}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Endophytic fungi reside in a symbiotic fashion inside their host plants, mimic their chemistry and interestingly, produce the same natural products as their hosts and are thus being screened for the production of valuable compounds like taxol, camptothecin, podophyllotoxin, etc. Vinblastine and vincristine are excellent anti-cancer drugs but their current production using plants is non-abundant and expensive. In order to make these drugs readily available to the patients at affordable prices, we isolated the endophytic fungi from Catharanthus roseus plant and found a fungus AA-CRL-6 which produces vinblastine and vincristine in appreciable amounts. These drugs were purified by TLC and HPLC and characterized using UV-Vis spectroscopy, ESI-MS, MS/MS and H-1 NMR. One liter of culture filtrate yielded 76 mu g and 67 mu g of vinblastine and vincristine respectively. This endophytic fungal strain was identified as Fusarium oxysporum based upon its cultural and morphological characteristics and internal transcribed spacer (ITS) sequence analysis.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0071805}, author = {Kumar, Ashutosh and Patil, Deepak and Rajamohanan, Pattuparambil Ramanpillai and Ahmad, Absar} } @article { ISI:000326845200037, title = {Is it possible to change wettability of hydrophilic surface by changing its roughness?}, journal = {Journal of Physical Chemistry Letters}, volume = {4}, number = {21}, year = {2013}, month = {NOV}, pages = {3692-3697}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Wetting behavior of model rough surfaces made of hydrophilic square pillars is investigated. The hydrophilic pillars are equally spaced on hydrophilic surface. The surface roughnesses are altered by varying the pillar width and interpillar spacing. Wetting to dewetting transition is observed for these surfaces. This is one of the first accounts of observation from molecular simulations where hydrophilic surface converts into hydrophobic by changing its roughness. The extent of hydrophilicities are also changed to gain more insightful observations. Energies of the wetting to dewetting transitions are analyzed by calculating the contribution from water water and water surface energy components. A correlation between energy and the wetting to dewetting transition has been established, which rationally explains the observed water repellent nature of hydrophilic surface as a function of roughness.

}, issn = {1948-7185}, doi = {10.1021/jz401946v}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000313913300036, title = {Low-pressure synthesis and characterization of hydrogen-filled ice ic}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {5}, year = {2013}, month = {DEC}, pages = {1531-1534}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Clathrates, cubic ice, hydrates, Hydrogen}, issn = {1433-7851}, doi = {10.1002/anie.201208367}, author = {Kumar, Rajnish and Klug, Dennis D. and Ratcliffe, Christopher I. and Tulk, Christopher A. and Ripmeester, John A.} } @article { ISI:000322432600012, title = {Magnetically separable single-site Ti-Fe3O4@MCM-41 catalyst for selective epoxidation of olefins}, journal = {Industrial \& Engineering Chemistry Research}, volume = {52}, number = {29}, year = {2013}, month = {JUL}, pages = {9803-9811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Magnetically separable Ti-Fe3O4@MCM-41 (Ti-MS) catalysts were prepared by postgrafting Ti with varying loading on mesoporous silica containing dispersed magnetite. The hexagonal structure of Ti-MS catalysts with a periodicity in the pores and a highly ordered hexagonal matrix was established by X-ray diffraction and transmission electron microscopy, while diffuse reflectance UV showed the isolated tetrahedral Ti species coordinated with O2-. From the Fourier transform infrared studies, the extent of Ti-O-Si linkage was found to increase with increase in Ti-loading from 1 to 5 wt \%beyond which (10\%), the intensity of Ti-O-Si band decreased due to the polymerization of the Ti on the silica surface. Silanol groups on the surface of silica interact with the precursor Ti((OPr)-Pr-i)(4) to give site isolated tetrahedral Ti-species responsible for complete selectivity to the epoxide in the epoxidation of cyclooctene. The magnetic property facilitated easy recovery of the catalyst for its successful eight recycles showing its stability under reaction conditions.

}, issn = {0888-5885}, doi = {10.1021/ie4013248}, author = {Jha, Ajay and Patil, Chetana R. and Garade, Ajit C. and Rode, Chandrashekhar V.} } @article { ISI:000316018200011, title = {Mechanistic insights into the inhibition of endo-beta 1,4 xyloglucan hydrolase by a classical aspartic protease inhibitor}, journal = {Journal of Fluorescence}, volume = {23}, number = {2}, year = {2013}, month = {MAR}, pages = {311-321}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

This is the first report of inactivation of xyloglucanase from Thermomonospora sp by pepstatin A, a specific inhibitor towards aspartic proteases. The steady state kinetics revealed a reversible, competitive, two-step inhibition mechanism with IC (50) and K (i) values of 3.5 +/- 0.5 mu M and 1.25 +/- 0.5 mu M respectively. The rate constants determined for the isomerization of EI to EI* and the dissociation of EI* were 14.5 +/- 1.5 x 10(-5) s(-1) and 2.85 +/- 1.2 x 10(-8) s(-1) respectively, whereas the overall inhibition constant K (i) (*) was 27 +/- 1 nM. The conformational changes induced upon inhibitor binding to xyloglucanase were monitored by fluorescence analysis and the rate constants derived were in agreement with the kinetic data. The abolished isoindole fluorescence of o-phthalaldehyde (OPTA)-labeled xyloglucanase and far UV analysis suggested that pepstatin binds to the active site of the enzyme. Our results revealed that the inactivation of xyloglucanase is due to the interference in the electronic microenvironment and disruption of the hydrogen-bonding network between the essential histidine and other residues involved in catalysis.

}, keywords = {4 xyloglucan hydrolase, Endo-beta 1, Enzyme kinetics, Inactivation mechanism, Pepstatin, Slow-tight binding}, issn = {1053-0509}, doi = {10.1007/s10895-012-1149-7}, author = {Menon, Vishnu and Rao, Mala} } @article { ISI:000317945100020, title = {Metal cation-exchanged montmorillonite clay as catalysts for hydroxyalkylation reaction}, journal = {Applied Clay Science}, volume = {74}, number = {SI}, year = {2013}, month = {APR}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Several solid acid catalysts were prepared by exchanging metal cations such as Zn2+, Fe3+ and Al3+ with montmorillonite clay. Among these, Al-montmorillonite showed the highest acidity determined by the pyridine-IR as well as NH3-TPD methods. A systematic comparison of the performance of these catalysts along with parent montmorillonite was carried out for the hydroxyalkylation of p-cresol with formaldehyde to give 2, 2{\textquoteright}-methylenebis (4-methyl phenol) (DAM). It was found that the activity of these catalysts was in accordance with the increase in acidity of parent montmorillonite after the exchange of cations in the order of Zn2+, Fe3+ and Al3+. The selectivity pattern was also influenced by the exchanged cations. Since Al-montmorillonite showed the highest conversion of 51\% with 98\% selectivity to DAM, the effects of various reaction parameters, namely, mole ratio, catalyst concentration, temperature, reaction time on conversion and selectivity pattern were also studied using the same catalyst This catalyst also showed an excellent stability as evidenced by its eight times reuse. (C) 2012 Published by Elsevier B.V.

}, keywords = {Cations-exchanged clay, Montmorillonite, NH3-TPD, Pyridine-IR}, issn = {0169-1317}, doi = {10.1016/j.clay.2012.10.005}, author = {Jha, Ajay and Garade, Ajit C. and Shirai, M. and Rode, C. V.} } @article { ISI:000315321400011, title = {Metal-mediated alkynediol cycloisomerization: first and second generation formal total syntheses of didemniserinolipid B}, journal = {Tetrahedron}, volume = {69}, number = {7}, year = {2013}, month = {FEB}, pages = {1881-1896}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A formal total synthesis of didemniserinolipid B was developed by employing a regioselective metal-mediated 6-endo-dig alkynol-cycloisomerization reaction. Two routes for the synthesis of key Burke{\textquoteright}s intermediate have been developed. Our initial approach involved the introduction of a C-17-allcynol followed by Pd-mediated cycloisomerization and then coupling with the serinol unit prior to the introduction of an alpha,beta-unsaturated ester unit through selective oxidation of 1 degrees-OH followed by a two-carbon Wittig homologation. Alternatively, the second generation strategy featuring the serinol coupling with the C-17-alkynol followed by alkyne addition to the epoxide and subsequent Au-mediated cycloisomerization of an acetonide protected alkynediol unit has been executed. This approach has avoided several late stage protection-deprotection events. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynol-cycloisomerization, Bicyclic ketal, Gold catalysis, Palladium catalysis, Zipper reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.12.045}, author = {Das, Shyamsundar and Induvadana, Boddeti and Ramana, C. V.} } @article { ISI:000315707700003, title = {MgCl2 center dot 6CH(3)OH: a simple molecular adduct and its influence as a porous support for olefin polymerization}, journal = {ACS Catalysis}, volume = {3}, number = {3}, year = {2013}, month = {MAR}, pages = {303-311}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A single phase molecular adduct, MgCl2 center dot 6CH(3)OH has been synthesized using MgCl2 and the simplest alcohol, methanol. Structural, spectroscopic, and morphological studies have been carried out for a better understanding of the single phase MgCl2 center dot 6CH(3)OH adduct. C-13 CPMAS solid state NMR studies show all six methanol molecules are magnetically equivalent and present in a single environment around the Mg2+ center. Raman spectral analysis of the characteristic peak at 708 cm(-1) substantiates octahedral coordination of six CH3OH molecules around Mg2+. Solid state C-13 NMR measurements, made after heat treatment at different temperatures, have been utilized to understand the variations in CH3OH stoichiometry and coordination around Mg2+ with temperature. A titanated active catalyst, TiCl4 on MgCl2 center dot 6CH(3)OH, has also been synthesized and subjected to detailed characterizations. The active catalyst shows high surface area (102 m(2)/g) and mesoporosity. The titanated catalyst has been screened for ethylene polymerization reactions using different cocatalysts (R3Al; R= -CH3, -CH2CH3, and -CH2CH(CH3)(2)). A total of 7.25 kg of polyethylene per gram of catalyst has been obtained with Me3Al cocatalyst, which is six times higher in activity compared with commercial Me3Al/TiCl4/MgCl2 center dot 6EtOH-supported orted catalystAlthough porosity influences the catalytic activity, other factors also seem to contribute to the total catalytic activity.

}, keywords = {heterogeneous catalysis, MgCl2, Molecular adduct, olefin polymerization, Ziegler-Natta catalyst}, issn = {2155-5435}, doi = {10.1021/cs300730j}, author = {Gnanakumar, Edwin S. and Gowda, Ravikumar R. and Kunjir, Shrikant and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000326900600015, title = {Mixed Co-Mn oxide-catalysed selective aerobic oxidation of vanillyl alcohol to vanillin in base-free conditions}, journal = {Chempluschem}, volume = {78}, number = {11}, year = {2013}, month = {NOV}, pages = {1384-1392}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Manganese-doped cobalt mixed oxide (MnCo-MO) catalyst was prepared by a solvothermal method. The as-prepared catalyst was characterised by X-ray photoelectron spectroscopy, H-2 temperature-programmed reduction, O-2 temperature-programmed oxidation and XRD. This catalyst gave 62\% conversion with 83\% selectivity to vanillin in 2hours for the liquid-phase air oxidation of vanillyl alcohol without using base. Three different types of metal oxides were observed in the prepared catalyst, which could be identified as Co3O4, Mn3O4 and CoMn2O4. Among these, the tetragonal phase of CoMn2O4 was found to be more active and selective for vanillyl alcohol oxidation than Co3O4 and Mn3O4. High-resolution TEM characterisation revealed the morphology of MnCo-MO nanorods with a particle size of 10nm. Successful recycling of the catalyst was also established in this oxidation reaction.

}, keywords = {aerobic oxidation, cobalt, heterogeneous catalysis, manganese, spinel phases}, issn = {2192-6506}, doi = {10.1002/cplu.201300247}, author = {Jha, Ajay and Patil, Kashinath R. and Rode, Chandrashekhar V.} } @article { ISI:000324928000018, title = {Modular total synthesis of (+/-)-trigonoliimine C}, journal = {Chemical Communications}, volume = {49}, number = {84}, year = {2013}, month = {AUG}, pages = {9767-9769}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A convergent total synthesis of trigonoliimine C has been executed by employing three catalytic transformations in sequence. The key reactions that have been developed in this context include the [Au]-catalyzed addition of protected tryptamine to isatogens and the reduction of N-OH to NH with hydrazine monohydrate.

}, issn = {1359-7345}, doi = {10.1039/c3cc45512b}, author = {Reddy, B. Narendraprasad and Ramana, Chepuri V.} } @article { ISI:000324794900010, title = {Molecular characterization and differential expression studies of an oxidosqualene cyclase (OSC) gene of Brahmi (Bacopa monniera)}, journal = {Physiology and Molecular Biology of Plants}, volume = {19}, number = {4}, year = {2013}, month = {OCT}, pages = {547-553}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Triterpenoid saponins are the class of secondary metabolites, synthesized via isoprenoid pathway. Oxidosqualene cyclases (OSCs) catalyzes the cyclization of 2, 3-oxidosqualene to various triterpene skeletons, the first committed step in triterpenoid biosynthesis. A full-length oxidosqualene cyclase cDNA from Bacopa monniera (BmOSC) was isolated and characterized. The open reading frame (ORF) of BmOSC consists of 2,292 bp, encoding 764 amino acid residues with an apparent molecular mass of 87.62 kDa and theoretical pI 6.21. It contained four QxxxxxW motifs, one Asp-Cys-Thr-Ala-Glu (DCTAE) motif which is highly conserved among the triterpene synthases and another MWCYCR motif involved in the formation of triterpenoid skeletons. The deduced amino acid sequence of BmOSC shares 80.5 \% \& 71.8 \% identity and 89.7 \% \& 83.5 \% similarity with Olea europaea mixed amyrin synthase and Panax notoginseng dammarenediol synthase respectively. Phylogenetic analysis revealed that BmOSC is closely related with other plant OSCs. Quantitative real-time PCR (qRT-PCR) data showed that BmOSC is expressed in all tissues examined with higher expression in stem and leaves as compared to roots and floral parts.

}, issn = {0971-5894}, doi = {10.1007/s12298-013-0195-1}, author = {Vishwakarma, Rishi K. and Sonawane, Prashant and Singh, Somesh and Kumari, Uma and Ruby and Khan, Bashir Mohammad} } @article { ISI:000319073500006, title = {Molecular cloning, biochemical characterization, and differential expression of an acetyl-CoA C-acetyltransferase gene (AACT) of brahmi (Bacopa monniera)}, journal = {Plant Molecular Biology Reporter}, volume = {31}, number = {3}, year = {2013}, month = {JUN}, pages = {547-557}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bacopa monniera (Brahmi) is an important Indian medicinal herb found in wet damp and marshy places. It produces medicinally important compounds known as bacosides along with alkaloids like brahmine and herpestine. Bacosides are triterpenoid saponins and their biosynthesis takes place via the isoprenoid pathway starting with acetyl-CoA. Acetyl-CoA C-acetyltransferase (AACT; EC 2.3.1.9), also known as acetoacetyl-CoA thiolase (Thiolase II), catalyzes the condensation of two acetyl-CoA to form 4-C compound acetoacetyl-CoA. Acetoacetyl-CoA is an important starting molecule for biosynthesis of various metabolites. Here, we report the cDNA cloning and characterization of acetyl-CoA C-acetyltransferase gene from B. monniera. The full-length gene was isolated using a RACE PCR protocol. The cDNA encoding AACT was designated as BmAACT (FJ947159) revealed an ORF of 1,218 bp and 405 amino acids, and shares 80 \% similarity with other plant AACTs. Phylogenetic analysis showed that BmAACT is related closely to other dicot plants AACTs. The BmAACT gene was over-expressed in Escherichia coli as a 6X His-tag fusion protein and purified to homogeneity by Ni-NTA and gel filtration chromatography. Activity of recombinant protein was confirmed by thiolytic cleavage of acetoacetyl-CoA in the presence of 5 mM Mg2+, showing K (m) and V (max) of 20.67 mu M and 96.21 mu mol/min, respectively, with high catalytic efficiency (k (cat) = 2.30 x 10(5) min(-1)). Quantitative real-time PCR analysis showed that the expression of BmAACT is tissue-specific, and accumulation of transcripts is greater in roots and petals, followed by sepals, stem, leaf and pedicel.

}, keywords = {Acetyl-CoA C-acetyltransferase, Bacopa monniera, Isoprenoid pathway, Triterpenoid saponin}, issn = {0735-9640}, doi = {10.1007/s11105-012-0523-6}, author = {Vishwakarma, Rishi K. and Ruby and Singh, Somesh and Sonawane, Prashant D. and Srivastava, Sameer and Kumari, Uma and Kumar, R. J. Santosh and Khan, Bashir Mohammad} } @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:000319185000049, title = {Morphology and dynamics of carbon nanotube in polycarbonate carbon nanotube composite from dissipative particle dynamics simulation}, journal = {Macromolecules}, volume = {46}, number = {9}, year = {2013}, month = {MAY}, pages = {3631-3638}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Morphology and dynamics of carbon nanotube (CNT) in polycarbonate matrix with different mixing ratios are studied in mesoscale by using dissipative particle dynamics (DPD). We have used atomistic simulation to derive necessary interaction parameter for mesoscale DPD simulation for polycarbonate nanotube composite using Flory-Huggins theory. The diffusion and morphology of nanotubes in different concentrations (2\%, 5\%, 10\%) are investigated. Diffusivity of nano tubes in polymer matrices is explored at different temporal regimes of simulation. Diffusion of nanotubes becomes significantly slow when bundling of nanotubes takes place. The bundle formation of nanotubes is observed in all of three mixtures with varying degrees of assembling and alignment Bundle size analysis is performed to study the extent of bundling affinity of CNTs in different filler concentrations. Size of the bundles of nanotubes is more in higher nanotube concentrations. In the 10\% mixture percolation network is found to be formed by bundles of nanotubes.

}, issn = {0024-9297}, doi = {10.1021/ma302425s}, author = {Chakraborty, Souvik and Choudhury, Chandan Kumar and Roy, Sudip} } @article { ISI:000330613400001, title = {Multiphase flows with phase change foreword}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1065-1066}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0256-2499}, author = {Ranade, Vivek V.} } @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 { ISI:000318393000028, title = {N-Heterocyclic carbene catalyzed oxidative stannylation of aldehydes: a facile entry to organotin(IV) carboxylates}, journal = {Tetrahedron Letters}, volume = {54}, number = {21}, year = {2013}, month = {MAY}, pages = {2679-2681}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple protocol is described for the oxidative transformation of aldehydes to the corresponding organotin(IV) carboxylates in high yields (up to 90\%) that utilizes atmospheric O-2 as the sole oxidant, N-heterocyclic carbene as catalyst (at 10 mol \%), and tributyl tin chloride as stannylating agent. The uniqueness of the reaction lies in the direct conversion of aldehydes to the corresponding organotin(IV) carboxylates via stannylation of carboxylic acids, generated from the reaction of a Breslow intermediate with O-2. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxylic acid stannanes, N-Heterocyclic carbene, Oxidative stannylation, oxygen, Tributyltin chloride}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.03.050}, author = {Reddi, Rambabu N. and Malekar, Pushpa V. and Sudalai, Arumugam} } @article { ISI:000325194900006, title = {N-Heterocyclic carbene catalyzed regioselective oxo-acyloxylation of alkenes with aromatic aldehydes: a high yield synthesis of alpha-acyloxy ketones and esters}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {38}, year = {2013}, month = {OCT}, pages = {6477-6482}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An N-heterocyclic carbene (NHC)-catalyzed reaction of alkenes with aromatic aldehydes providing for a high yield synthesis of alpha-acyloxy ketones and esters has been described. This unprecedented regioselective oxidative process employs NBS and Et3N in stoichiometric amounts and O-2 (1 atm) as an oxidant under ambient conditions in DMSO as a solvent.

}, issn = {1477-0520}, doi = {10.1039/c3ob41551a}, author = {Reddi, Rambabu N. and Malekar, Pushpa V. and Sudalai, Arumugam} } @article { ISI:000314791100023, title = {Novel vanadium n-propylamino phosphate catalyst: synthesis, characterization and applications}, journal = {Materials Research-Ibero-American Journal of Materials}, volume = {16}, number = {1}, year = {2013}, month = {JAN}, pages = {181-189}, publisher = {UNIV FED SAO CARLOS, DEPT ENGENHARIA MATERIALS}, address = {LABORATORIA DE MATERIAIS VITREOS, CAIXA POSTAL 676, SAO CARLOS, 13565-905SP, BRAZIL}, abstract = {

A novel, lamellar type Vanadium n-propylamino phosphate catalyst is synthesized and characterized by using various physicochemical techniques such as Powder X-ray diffraction, Scanning electron microscopy/Energy dispersive X-ray analysis, Thermogravimetry/Differential thermal analysis, Fourier transform Infrared analysis, Electron spin resonance spectroscopy, Ultraviolet - Visible Diffuse reflectance spectroscopy, X-ray Photoelectron spectroscopy, P-31 Magic angle spinning Nuclear Magnetic Resonance spectroscopy and Catalytic applications toward Octahydroquinazolinone synthesis. It is found that the n-propylamine is present as sandwich between Vanadyl phosphate layers. Most of the Vanadium is present as V4+ ions in tetrahedral co-ordination. Vanadium n-propylamino phosphate catalyses Octahydroquinazolinone synthesis more effeciently and the optimum conditions required for Octahydroquinazolinone synthesis are, Benzaldehyde (2 mmol), Dimedone (2 mmol), Urea (4 mmol), Methanol + Water (1:1, 5 mL) and Catalyst (0.05 g). A plausible mechanism is also proposed.

}, keywords = {n-propylamino phosphate, octahydroquinazolinones, synthesis, Vanadium}, issn = {1516-1439}, doi = {10.1590/S1516-14392012005000161}, author = {Anumula, Rajini and Nookaraju, Muralasetti and Selvaraj, Kaliaperumal and Reddy, Ingala Ajit Kumar and Narayanan, Venkatathri} } @article {42690, title = {One-pot process for the conversion of aroyl chlorides to acyl thioureas}, number = {US 14/650,778}, year = {2013}, month = {JUL}, type = {Application}, chapter = {PCT/IN2013/000758}, abstract = {

The present invention disclose an improved one pot process for synthesis of acyl thioureas of formula (I), with yield greater than 80\%, from aroyl chlorides of formula (I) wherein, R' is an aryl or a heteroarylene group substituted with one or more groups selected from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino, carboxyl, ester, halogenated hydrocarbon or an aryl or heteroaryl; R" and R'" are selected independently from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino or halogenated hydrocarbon.

}, author = {Ramana, Chepuri V. and Senthilkumar, B.} } @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:000315168800015, title = {Orthanilic acid-promoted reverse turn formation in peptides}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {JAN}, pages = {2222-2224}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant), an aromatic beta-amino acid, has been shown to be highly useful in inducing a folded conformation in peptides. When incorporated into peptide sequences (Xaa-(S)Ant-Yaa), this rigid aromatic beta-amino acid strongly imparts a reverse-turn conformation to the peptide backbone, featuring robust 11-membered-ring hydrogen-bonding.

}, issn = {1359-7345}, doi = {10.1039/c3cc40522b}, author = {Kale, Sangram S. and Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000327052700035, title = {Oxidative dehydrogenation of ethyl benzene to styrene over hydrotalcite derived cerium containing mixed metal oxides}, journal = {Green Chemistry}, volume = {15}, number = {11}, year = {2013}, month = {SEP}, pages = {3259-3267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cerium containing mixed oxides derived from hydrotalcites was prepared and its catalytic activity was studied for oxidative dehydrogenation of ethyl benzene to styrene. Structural, spectroscopic and morphological features of the catalyst have been thoroughly examined with various physico-chemical characterization methods. Raman spectroscopy studies show evidence for oxygen vacancies in lower loadings of cerium which enhanced the oxygen migration. The transmission electron microscopy image showed good dispersion of ceria clusters on the mixed metal oxide. The catalytic activity results suggested that the conversion of ethyl benzene and styrene yield is stable for at least 12 hours without any significant catalyst deactivation. The styrene selectivity and ethyl benzene conversion were higher in a catalyst containing 0.03 mole percentage of cerium. Structural features of the spent catalysts have also been examined to demonstrate the stability of the catalyst during the reaction.

}, issn = {1463-9262}, doi = {10.1039/c3gc41321g}, author = {Venugopal, Ashok Kumar and Venugopalan, Aswathy Thareparambil and Kaliyappan, Periyasamy and Raja, Thirumalaiswamy} } @article { ISI:000313764100016, title = {PEEK/SiO2 composites with high thermal stability for electronic applications}, journal = {Electronic Materials Letters}, volume = {9}, number = {1}, year = {2013}, month = {JAN}, pages = {95-100}, publisher = {KOREAN INST METALS MATERIALS}, address = {POSCO CENTER, 4TH FL (EAST WING), 892 DAECHI-4-DONG, KANGNAM-KU, SEOUL 135-777, SOUTH KOREA}, abstract = {

Thermal and mechanical properties of new high performance polymer matrix composites based on poly(etheretherketone) (PEEK) as matrix and crystalline-silica (SiO2) as reinforcement were discussed for application in electronic packaging substrates or printed circuit boards. The content of SiO2 was varied between 0 and 50 wt. \%. Scanning electron microscopy showed uniform dispersion of SiO2 particles in the matrix. Thermogravimetry analysis showed significant increase in thermal stability and char yield with increase in SiO2 content in the matrix. Differential scanning calorimetry showed that SiO2 had a heterogeneous nucleating effect on PEEK, leading to an increase in peak temperature of crystallization and onset crystallization temperature of the composites compared to a pure matrix. The microhardness increased approximately 42\%. A modified rule of mixtures with a strengthening efficiency factor equal to 0.06 fit the data nicely. The results show that the prepared PEEK/SiO2 composites may have potential applications in electronics.

}, keywords = {hardness, PEEK, polymer matrix composites, Thermal properties}, issn = {1738-8090}, doi = {10.1007/s13391-012-2107-x}, author = {Goyal, R. K. and Rokade, K. A. and Kapadia, A. S. and Selukar, B. S. and Garnaik, Baijayantimala} } @article { ISI:000318292400036, title = {Photopolymerization of bis-aromatic and alicyclic based solid urethane acrylate macromonomer in the presence of large excess of reactive diluent Kinetics and modeling}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {112}, number = {2}, year = {2013}, month = {MAY}, pages = {805-813}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Autocatalytic model, kinetics, Levenberg-Marquardt method, Photopolymerization}, issn = {1388-6150}, doi = {10.1007/s10973-012-2619-5}, author = {Harikrishna, Reghunathan and Ponrathnam, S. and Rajan, C. R. and Tambe, S. S.} } @article { ISI:000320148900002, title = {Phytosynthesis of silver nanoparticles by semecarpus anacardium L. leaf extract}, journal = {Materials Letters}, volume = {102}, year = {2013}, month = {JUL}, pages = {5-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Green synthesis of silver nanoparticles (AgNPs) using Semecmpus anacardium L leaf extract was studied. The reduction of silver (Ag+) ions was characterized by using UV-vis spectrophotometer showing formation of AgNPs within 15-20 mm. A time dependent reaction showed the increase in the nanoparticles (NPs) with time. Transmission electron microscopy (TEM) analysis showed that the synthesized AgNPs varied from 10 to 25 nm and has spherical shape. The Fourier transform infrared (FTIR) analysis showed that phenols and protein were responsible for the formation of the AgNPs. The energy dispersive spectroscopy (EDAX) analysis confirms the formed NPs were of silver. The quantification of AgNPs was studied by inductive coupled plasma spectrometry (ICP-AES). The important outcome of this work can be value addition to the medicinal plants in synthesis of NPs for biomedical applications. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {FTIR, Leaf extract, Nanoparticles, Semecarpus anacardium, synthesis, TEM}, issn = {0167-577X}, doi = {10.1016/j.matlet.2013.03.091}, author = {Raju, D. and Hazra, Sulekha and Mehta, Urmil J.} } @article { ISI:000315370000010, title = {Polyproline fold-In imparting kinetic stability to an alkaline serine endopeptidase}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1834}, number = {3}, year = {2013}, month = {MAR}, pages = {708-716}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polyproline II (PPII) fold, an unusual structural element was detected in the serine protease from Nocardiopsis sp. NCIM 5124 (NprotI) based on far UV circular dichroism spectrum, structural transitions of the enzyme in presence of GdnHCl and a distinct isodichroic point in chemical and thermal denaturation. The functional activity and conformational transitions of the enzyme were studied under various denaturing conditions. Enzymatic activity of NprotI was stable in the vicinity of GdnHCl upto 6.0 M concentration, organic solvents viz, methanol, ethanol, propanol (all 90\% v/v), acetonitrile (75\% v/v) and proteases such as trypsin, chymottypsin and proteinase K (NprotI:protease 10:1). NprotI seems to be a kinetically stable protease with a high energy barrier between folded and unfolded states. Also, an enhancement in the activity of the enzyme was observed in 1 M GdnHCl upto 8 h, in organic solvents (75\% v/v) for 72 h and in presence of proteolytic enzymes. The polyproline fold remained unaltered or became more prominent under the above mentioned conditions. However, it diminished gradually during thermal denaturation above 60 degrees C. Thermal transition studies by differential scanning calorimetry (DSC) showed scan rate dependence as well as irreversibility of denaturation, the properties characteristic of kinetically stable proteins. This is the first report of PPII helix being the global conformation of a non structural protein, an alkaline serine protease, from a microbial source, imparting kinetic stability to the protein. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Conformation, differential scanning calorimetry, Kinetic stability, Nocardiopsis sp., Polyproline fold, Serine protease}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2012.12.007}, author = {Rohamare, Sonali B. and Dixit, Vaishali and Nareddy, Pavan Kumar and Sivaramakrishna, D. and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000318917000003, title = {Proline catalyzed sequential alpha-aminooxylation or -amination/reductive cyclization of o-nitrohydrocinnamaldehydes: a high yield synthesis of chiral 3-substituted tetrahydroquinolines}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {22}, year = {2013}, month = {APR}, pages = {3608-3611}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new sequential organocatalytic method for the synthesis of chiral 3-substituted (X = OH, NH2) tetrahydroquinoline derivatives (THQs) [ee up to 99\%, yield up to 87\%] based on alpha-aminooxylation or -amination followed by reductive cyclization of o-nitrohydrocinnamaldehydes has been described. This methodology has been efficiently demonstrated in the synthesis of two important bioactive molecules namely (-)-sumanirole (96\% ee) and 1-[(S)-3-(dimethylamino)-3,4-dihydro-6,7-dimethoxy-quinolin-1(2H)-yl]- propanone (92\% ee).

}, issn = {1477-0520}, doi = {10.1039/c3ob40320c}, author = {Rawat, Varun and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000326946900004, title = {Rationally designed CuFe2O4-mesoporous Al2O3 composite towards stable performance of high temperature water-gas shift reaction}, journal = {Chemical Communications}, volume = {49}, number = {96}, year = {2013}, month = {JUL}, pages = {11257-11259}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

High temperature water-gas shift reaction was demonstrated for the first time on a CuFe2O4-mesoporous alumina nanocomposite between 350 and 550 degrees C with 70-80\% CO-conversion using simulated waste derived syngas under realistic conditions. Despite high Al-content, the catalyst exhibited stable activity, which was attributed to the nano-architectured robust porous nature of alumina integrated with surrounding CuFe2O4.

}, issn = {1359-7345}, doi = {10.1039/c3cc43699c}, author = {Subramanian, Vijayanand and Gnanakumar, Edwin S. and Jeong, Dae-Woon and Han, Won-Bi and Gopinath, Chinnakonda S. and Roh, Hyun-Seog} } @article { ISI:000318447100001, title = {Reactivity of thiophenes, oligothiophenes and benzothiophenes}, journal = {Advances in Heterocyclic Chemistry}, volume = {108}, year = {2013}, month = {DEC}, pages = {1-161}, publisher = {ELSEVIER ACADEMIC PRESS INC}, address = {525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

This article surveys the literature on the reactivity of thiophenes and benzothiophenes published since the appearance of the third edition of Comprehensive Heterocyclic Chemistry. Two areas that have received maximum attention are: (1) homo- and cross-coupling reactions leading to C C bond formation with high site selectivity and under mild reaction conditions, as well as the regioselective introduction of heteroatom substituents and (2) dithienylethenes and their symmetry-allowed photocyclized isomers, with special reference to the use of this photochromic system as photoswitching units.

}, keywords = {Benzothiophenes and oligothiophenes, Newer results on the reactivity of thiophenes, Pericyclic reactions, Transition metal-catalyzed bond formation}, isbn = {978-0-12-404598-9}, issn = {0065-2725}, doi = {10.1016/B978-0-12-404598-9.00001-8}, author = {Rajappa, Srinivasachari and Gumaste, Vikas K.}, editor = {Katritzky, A. R.} } @article { ISI:000324223600112, title = {Response to the comments on {\textquoteleft}Investigations on Ru doped ZnO: strain calculations and gas sensing study{\textquoteright}}, journal = {Sensors and Actuators B-Chemical}, volume = {186}, year = {2013}, month = {SEP}, pages = {826}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, issn = {0925-4005}, doi = {10.1016/j.snb.2013.05.089}, author = {Navale, Shalaka C. and Ravi, V. and Mulla, Imtiaz S.} } @article { ISI:000321590000015, title = {Rhenium(I) tricarbonyl complex of 5,20-bis(p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin: first X-ray structural characterization of metal complex of 21-selenaporphyrin}, journal = {Dalton Transactions}, volume = {42}, number = {30}, year = {2013}, month = {MAY}, pages = {10798-10806}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis and first structural characterization of hexa coordinated rhenium(I)tricarbonyl complex of 5,20-bis( p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin 3 are described. The Re(I)complex of 21-selenaporphyrin 3 was synthesized by treating free base 21-selenaporphyrin in 1,2-dichlorobenzene with Re(CO)(5)Cl at reflux for 7 h and analyzed using mass, NMR, FT-IR, UV-vis and electrochemical techniques. The first structure of metal complex of 21-selenaporphyrin was determined by X-ray single crystal analysis. The crystal structure revealed that the Re(CO)(3) coordinates to two of the three inner nitrogens and one selenium to produce compound 3. The selenophene ring bent towards the Re(I)ion and the selenium is displaced by 0.41 angstrom from the mean plane of 24-atoms to coordinate with Re(I)ion in eta(1)-fashion. The 21-selenaporphyrin is distorted in compound 3 compared to free base 21-selenaporphyrin. H-1 and C-13 NMR studies indicated that compound 3 exhibits fluxional behaviour in coordination mode of binding in solution. The compound 3 is highly stable and does not undergo decomplexation under acidic conditions. The absorption spectra showed three broad Q-bands and splitted Soret band and electrochemical studies indicated that compound 3 is stable under redox conditions.

}, issn = {1477-9226}, doi = {10.1039/c3dt51024g}, author = {Ghosh, Avijit and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article {43232, title = {Sensing behavior of atomically thin-layered MoS2 transistors}, journal = {ACS Nano}, volume = {7}, year = {2013}, month = {JUN}, pages = {4879-4891}, abstract = {Most of recent research on layered chalcogenides is understandably focused on single atomic layers. However, it is unclear if single-layer units are the most ideal structures for enhanced gas solid interactions. To probe this issue further, we have prepared large-area MoS2 sheets ranging from single to multiple layers on 300 nm SiO2/Si substrates using the micromechanical exfoliation method. The thickness and layering of the sheets were identified by optical microscope, invoking recently reported specific optical color contrast, and further confirmed by AFM and Raman spectroscopy. The MoS2 transistors with different thicknesses were assessed for gas-sensing performances with exposure to NO2, NH3, and humidity in different conditions such as gate bias and light Irradiation. The results show that, compared to the single-layer counterpart, transistors of few MoS2 layers exhibit excellent sensitivity, recovery, and ability to be manipulated by gate bias and green light. Further, our ab initio DFT calculations on single-layer and bilayer MoS2 show that the charge transfer is the reason for the decrease in resistance in the presence of applied field.}, doi = {10.1021/nn400026u}, author = {Late, Dattatray J. and Huang, Yi-Kai and Liu, Bin and Acharya, Jagaran and Shirodkar, Sharmila N. and Luo, Jiajun and Yan, Aiming and Charles, Daniel and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000323179000029, title = {Single pot conversion of furfuryl alcohol to levulinic esters and gamma-valerolactone in the presence of sulfonic acid functionalized ILs and metal catalysts}, journal = {Green Chemistry}, volume = {15}, number = {9}, year = {2013}, month = {JUL}, pages = {2540-2547}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ionic liquids functionalized with acidic anions, HSO4, ClSO3H, PTSA, TFA (MIm), HSO4 and TFA (NMP) were found to efficiently (99\% conversion) catalyze the alcoholysis of furfuryl alcohol (FAL) in the presence of methanol, ethanol, n-butanol and isopropyl alcohol (IPA) to the corresponding levulinic acid esters under mild temperature (90-130 degrees C) conditions. The extended alkyl chain length of [MIm] using 1,4-butane sultone enhanced the Bronsted acidity of [BMIm-SH][HSO4] catalyst resulting into the highest selectivity of \>95\% to Me-LA. An increase in both temperature and catalyst concentration increased the furfuryl alcohol conversion and selectivity to levulinate esters. In contrast, an increase in the substrate concentration from 5 to 15\% caused a decrease in Me-LA selectivity due to accumulation of intermediate ethers of furfuryl alcohol. Using a combination of [BMIm-SH][HSO4] and 5\% Ru/C catalyst, direct conversion of FAL to gamma-valerolactone (GVL) is shown for the first time. A complete conversion of FAL with the highest selectivity of 68\% to GVL could be achieved under optimum conditions while higher Ru loading enhanced the GVL selectivity to 94\% in the hydrogenation step of this tandem approach. Our catalyst system could be efficiently recycled five times retaining the original activity and selectivity levels.

}, issn = {1463-9262}, doi = {10.1039/c3gc41098f}, author = {Hengne, Amol M. and Kamble, Sumit B. and Rode, Chandrashekhar V.} } @article { ISI:000316064700007, title = {Structural and catalytic properties of a novel vanadium containing solid core mesoporous silica shell catalysts for gas phase oxidation reaction}, journal = {Journal of Chemical Sciences}, volume = {125}, number = {1}, year = {2013}, month = {JAN}, pages = {63-69}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A novel vanadium containing solid core mesoporous silica shell catalyst was synthesized with different Si/V ratios by sol-gel method under neutral conditions. The synthesized materials were characterized by various techniques and gas phase diphenyl methane oxidation reaction. The mesoporosity combined with microporosity are formed by incorporation of octadecyltrichloro silane and triethylamine in the catalyst and it was found out from E-DAX and BET-surface area analysis. The material was found to be nanocrystalline. Vanadium is present as V4 + species in as-synthesized samples and convert to V5 + on calcination. Most of the vanadium is present in tetrahedral or square pyramidal environment. Incorporation of vanadium in silica framework was confirmed by Si-29 MAS NMR analysis. Among the various vanadium containing solid core mesoporous silica shell catalysts, the Si/V = 100 ratio exhibited maximum efficiency towards diphenyl methane to benzophenone gas phase reaction. The optimum condition required for maximum conversion and selectivity was found out from the catalytic studies.

}, keywords = {diphenylmethane, Gas phase oxidation, vanadium containing solid core mesoporous silica shell}, issn = {0974-3626}, doi = {10.1007/s12039-013-0365-2}, author = {Venkatathri, N. and Pillai, Vijayamohanan K. and Rajini, A. and Raju, M. Nooka and Reddy, I. A. K.} } @article { ISI:000313896900021, title = {Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study}, journal = {Soft Matter}, volume = {9}, number = {7}, year = {2013}, month = {JAN}, pages = {2269-2281}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

PEI is a pH sensitive polymer which acts as a proton sponge in acidic conditions. Despite many experimental and theoretical efforts, a fundamental understanding of the structure and dynamics of linear PEI chains on the atomistic level at different protonation states in dilute solutions remains a topic of discussion. This report analyses the structural properties of PEI at different protonation states, which are representative of different pH, using all atomistic molecular dynamic simulations. The structural properties revealed that the polymer at high pH (basic medium) is highly coiled, while at low pH (strong acidic conditions) the chains are elongated. We studied the dynamics and ordering of water molecules that are part of the solvation shells of the PEI chains at different protonation states. We observe that the water molecules are ordered along the polymer backbone for a completely protonated PEI chain (i.e. in the case of acidic pH) and hop to the neighbouring solvation shell. The residence time and the self-diffusion of water molecules in the solvation shells and their activation barriers were also calculated and analysed further. We concluded the study by correlating the solvation shell water dynamics and the structure of the PEI chain at different protonation states.

}, issn = {1744-683X}, doi = {10.1039/c2sm26290h}, author = {Choudhury, Chandan Kumar and Roy, Sudip} } @article { ISI:000323584400008, title = {Structural modelling of substrate binding and inhibition in penicillin V acylase from pectobacterium atrosepticum}, journal = {Biochemical and Biophysical Research Communications}, volume = {437}, number = {4}, year = {2013}, month = {AUG}, pages = {538-543}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Penicillin V acylases (PVAs) and bile salt hydrolases (BSHs) have considerable sequence and structural similarity; however, they vary significantly in their substrate specificity. We have identified a PVA from a Gram-negative organism, Pectobacterium atrosepticum (PaPVA) that turned out to be a remote homolog of the PVAs and BSHs reported earlier. Even though the active site residues were conserved in PaPVA it showed high specificity towards penV and interestingly the penV acylase activity was inhibited by bile salts. Comparative modelling and docking studies were carried out to understand the structural differences of the binding site that confer this characteristic property. We show that PaPVA exhibits significant differences in structure, which are in contrast to those of known PVAs and such enzymes from Gram-negative bacteria require further investigation. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Bile salt hydrolase, docking, Homology modelling, Inhibition, Pectobacterium, Penicillin acylase}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2013.06.109}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Suresh, C. G. and Pundle, Archana V. and Ramasamy, Sureshkumar} } @article { ISI:000312452700005, title = {Structure-property relationship of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {104}, number = {1}, year = {2013}, month = {JAN}, pages = {35-45}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Four major types of polyester industrial yarns (1000 Denier) which are used commercially were studied for their key structural parameters. An attempt has been made to establish a relationship between morphology and properties of these yarns. High tenacity (HT) polyester yarn has the highest birefringence, amorphous orientation, and long period but is relatively less crystalline. High shrinkage characteristic of HT polyester yarn can be accounted for its higher amorphous orientation. High modulus low shrinkage (HMLS) polyester yarn has higher crystallinity and crystal size compared to HT yarn. Fraction of tie molecules of these yarns has been calculated and found that low shrinkage (LS) and super low shrinkage (SLS) yarns have lesser tie molecules. These LS and SLS yarns are tailor-made to achieve lower shrinkage and at the same time maintaining a good level of tenacity. This is achieved with lower amorphous orientation in the final drawn yarn structure. Amorphous orientation was found to have stronger influence than any other structural parameter on the key yarn properties like modulus, tenacity, elongation, and shrinkage.

}, keywords = {modulus, orientation, polyester, shrinkage, structure}, issn = {0040-5000}, doi = {10.1080/00405000.2012.693277}, author = {Samui, Barun Kumar and Prakasan, Manikanda Priya and Ramesh, C. and Chakrabarty, Debabrata and Mukhopadhyay, R.} } @article { ISI:000313613800011, title = {Studies on fabrication, characterization, and metal extraction using metal chelating nonwoven nanofiber mats of poly(vinyl alcohol) and sodium alginate blends}, journal = {Polymer Engineering and Science}, volume = {53}, number = {2}, year = {2013}, month = {FEB}, pages = {321-333}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Poly(vinyl alcohol) and sodium alginate blends with and without the metal chelate, bis(2,4,4-trimethylpentyl)phosphinic acid were prepared in various compositions and fabricated to stable nanofibers and films to evaluate their efficacy for metals adsorption and desorption. Surface morphology of the nanofibers was characterized by scanning electron microscopy. The solution properties and variation in content of sodium alginate in the feed mixture have influenced morphology of nanofibers. However, influence of bis(2,4,4-trimethylpentyl)phosphinic acid was insignificant. The films and nanofibers were characterized using Fourier transform infrared spectroscopy, differential scanning calorimetry, thermo gravimetric analysis, and X-ray diffraction to understand compatibility between polymers, thermal stability, decomposition temperature, and variations in crystallinity. Metal adsorption studies for nanofiber mats comprising bis(2,4,4-trimethylpentyl)phosphinic acid were demonstrated using copper (II), cobalt(II), and nickel(II) salts. The nanofibers adsorbed more copper (363 mg/g) when compared with films (105 mg/g). Nanofiber mats immobilized with bis(2,4,4-trimethylpentyl)phosphinic acid adsorbed copper in greater magnitude (497 mg/g) than nanofiber mats without bis(2,4,4-trimethylpentyl)phosphinic acid (363 mg/g). However, adsorption of cobalt and nickel was very low to be detected. The metal adsorption and desorption studies were also confirmed by energy dispersive X-ray spectroscopy. POLYM. ENG. SCI., 2013. (c) 2012 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23267}, author = {Rathna, G. V. N. and Birajdar, Mallinath S. and Bhagwani, Manish and Paul, V. L.} } @article { ISI:000327521300003, title = {Superior field emission properties of layered WS2-RGO nanocomposites}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {NOV}, pages = {3282}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

We report here the field emission studies of a layered WS2-RGO composite at the base pressure of similar to 1 x 10(-8) mbar. The turn on field required to draw a field emission current density of 1 mu A/cm(2) is found to be 3.5, 2.3 and 2 V/mu m for WS2, RGO and the WS2-RGO composite respectively. The enhanced field emission behavior observed for the WS2-RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of similar to 800 mu A/cm(2) is drawn at an applied field of 4.1 V/mu m from a few layers of the WS2-RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overalp of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap.

}, issn = {2045-2322}, doi = {10.1038/srep03282}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000328941200014, title = {Supramolecular nanoparticles that target phosphoinositide-3-kinase overcome insulin resistance and exert pronounced antitumor efficacy}, journal = {Cancer Research}, volume = {73}, number = {23}, year = {2013}, month = {DEC}, pages = {6987-6997}, publisher = {AMER ASSOC CANCER RESEARCH}, address = {615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA}, abstract = {

The centrality of phosphoinositide-3-kinase (PI3K) in cancer etiology is well established, but clinical translation of PI3K inhibitors has been limited by feedback signaling, suboptimal intratumoral concentration, and an insulin resistance {\textquoteleft}{\textquoteleft}class effect.{\textquoteright}{\textquoteright} This study was designed to explore the use of supramolecular nanochemistry for targeting PI3K to enhance antitumor efficacy and potentially overcome these limitations. PI3K inhibitor structures were rationally modified using a cholesterol-based derivative, facilitating supramolecular nanoassembly with L-alpha-phosphatidylcholine and DSPE-PEG [1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polythylen e glycol)]. The supramolecular nanoparticles (SNP) that were assembled were physicochemically characterized and functionally evaluated in vitro. Antitumor efficacy was quantified in vivo using 4T1 breast cancer and K-Ras(LSL/+)/Pten(fl/fl) ovarian cancer models, with effects on glucose homeostasis evaluated using an insulin sensitivity test. The use of PI103 and PI828 as surrogate molecules to engineer the SNPs highlighted the need to keep design principles in perspective; specifically, potency of the active molecule and the linker chemistry were critical principles for efficacy, similar to antibody-drug conjugates. We found that the SNPs exerted a temporally sustained inhibition of phosphorylation of Akt, mTOR, S6K, and 4EBP in vivo. These effects were associated with increased antitumor efficacy and survival as compared with PI103 and PI828. Efficacy was further increased by decorating the nanoparticle surface with tumor-homing peptides. Notably, the use of SNPs abrogated the insulin resistance that has been associated widely with other PI3K inhibitors. This study provides a preclinical foundation for the use of supramolecular nanochemistry to overcome current challenges associated with PI3K inhibitors, offering a paradigm for extension to other molecularly targeted therapeutics being explored for cancer treatment. (C)2013 AACR.

}, issn = {0008-5472}, doi = {10.1158/0008-5472.CAN-12-4477}, author = {Kulkarni, Ashish A. and Roy, Bhaskar and Rao, Poornima S. and Wyant, Gregory A. and Mahmoud, Ayaat and Ramachandran, Madhumitha and Sengupta, Poulomi and Goldman, Aaron and Kotamraju, Venkata Ramana and Basu, Sudipta and Mashelkar, Raghunath Anant and Ruoslahti, Erkki and Dinulescu, Daniela M. and Sengupta, Shiladitya} } @article { ISI:000326010300003, title = {Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {41}, year = {2013}, month = {NOV}, pages = {7072-7075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the folding propensity of a hetero-foldamer motif featuring proline (Pro) and anthranilic acid (Ant) residues in a 1:2:1 (alpha: beta: alpha) constitutional ratio. Structural investigations unequivocally suggest that the hydrogen-bonding network of this foldamer motif can be switched between 9-membered and 6-membered by modulating the backbone chirality and constitutional ratio of the amino acid residues.

}, issn = {1477-0520}, doi = {10.1039/c3ob41369a}, author = {Ramesh, Veera V. E. and Vijayadas, Kuruppanthara N. and Dhokale, Snehal A. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000328177300017, title = {Synergetic effect of combination of AOP{\textquoteright}s (hydrodynamic cavitation and H2O2) on the degradation of neonicotinoid class of insecticide}, journal = {Journal of Hazardous Materials}, volume = {261}, year = {2013}, month = {OCT}, pages = {139-147}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present work, degradation of imidacloprid (neonicotinoid class of insecticide) in aqueous solution has been systematically investigated using hydrodynamic cavitation and combination of hydrodynamic cavitation (HC) and H2O2. Initially, effect of different operating parameters such as inlet pressure to the cavitating device (5-20 bar) and operating pH (2-7.5) has been investigated. Optimization of process parameters was followed by the study of effect of combination of HC and H2O2 process on the rate of degradation of imidacloprid. Significant enhancement in the rate of degradation of imidacloprid has been observed using HC+H2O2 process which lead to a complete degradation of imidacloprid in 45 min of operation using optimal molar ratio of imidacloprid:H2O2 as 1:40. Substantial synergetic effect has been observed using HC+H2O2 process which confer the synergetic coefficient of 22.79. An attempt has been made to investigate and compare the energy efficiency and extent of mineralization of individual and combined processes applied in the present work. Identification of the byproducts formed during degradation of imidacloprid has also been done using LC-MS analysis. The present work has established a fact that hydrodynamic cavitation in combination with H2O2 can be effectively used for degradation of imidacloprid. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Advanced oxidation processes, Hydrodynamic cavitation, Imidacloprid, Synergetic coefficient, Venturi}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2013.07.012}, author = {Raut-Jadhav, Sunita and Saharan, Virendra Kumar and Pinjari, Dipak and Sonawane, Shirish and Saini, Daulat and Pandit, Aniruddha} } @article { ISI:000317285200007, title = {Synergistic mechanical response of Nylon 6/Trogamid (R) T blends}, journal = {Journal of Applied Polymer Science}, volume = {129}, number = {1}, year = {2013}, month = {JUL}, pages = {65-72}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Blends of semicrystalline Nylon 6 with a varying ratios of amorphous Nylon are studied for their morphological, thermal, dielectric, and mechanical behavior. Thermal analysis indicated a compositional dependant decrease in the melting and crystallization temperatures of Nylon 6. The blends exhibited a single compositional dependant glass transition temperature in dynamic mechanical thermal analysis and dielectrical relaxation spectroscopy over entire mixing ratio indicating miscibility between the blend components. The values of flexural modulus and tensile modulus of the blends are found to increase without significant loss in the impact properties. The water absorption of the blends is also lower than the values calculated by rule of mixtures. The observed synergistic behavior of the mechanical properties of the blends is indicative of presence of strong interactions in the blends components. (c) 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013

}, keywords = {blends, dielectric properties, mechanical properties, polyamides, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.38693}, author = {Ridhore, Amol and Jog, Jyoti Prakash} } @article { ISI:000320979500046, title = {Syntheses and determination of absolute configurations and biological activities of the enantiomers of the longtailed mealybug pheromone}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {12}, year = {2013}, month = {JUN}, pages = {6281-6284}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Preparation and assignment of absolute configurations to both enantiomers of the sex pheromone of the longtailed mealybug, an irregular monoterpenoid with extraordinary biological activity, has been completed. Comparison of the biological activities of both enantiomers and the racemate in field trials showed that the (S)-(+)-enantiomer was highly attractive to male mealybugs, strongly suggesting that female longtailed mealybugs produce this enantiomer. The (R)-(-)-enantiomer was benign, being neither attractive nor inhibitory.

}, issn = {0022-3263}, doi = {10.1021/jo400491n}, author = {Ramesh, Remya and Swaroop, Pandrangi Siva and Gonnade, Rajesh G. and Thirupath, Choppari and Waterworth, Rebeccah A. and Millar, Jocelyn G. and Reddy, D. Srinivasa} } @article { ISI:000319721200044, title = {Synthesis of 3,5-Bis(acrylaldehyde) boron-dipyrromethene and application in detection of cysteine and homocysteine in living cells}, journal = {Journal Of Organic Chemistry}, volume = {78}, number = {10}, year = {2013}, month = {MAY}, pages = {5056-5060}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis, characterization, and spectral and electrochemical properties of 3,5-bis(acrylaldehyde) BODIPY are described. The compound exhibited higher selectivity toward cysteine/homocysteine than toward other amino acids and thiol-containing compounds as shown by absorption and emission titration experiments and by experiments in living cells.

}, issn = {0022-3263}, doi = {10.1021/jo4004597}, author = {Madhu, Sheri and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article { ISI:000321490900014, title = {Synthesis of a sex pheromone of the longtailed mealybug, pseudococcus longispinus}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {12}, year = {2013}, month = {JUN}, pages = {1689-1692}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The synthesis of a recently identified and highly active sex pheromone of the longtailed mealybug, Pseudococcus longispinus is reported. A concise synthetic route, use of the under explored Meyer-Schuster rearrangement, Claisen rearrangement, and ring-closing metathesis are the highlights of this work.

}, keywords = {Acylation, Metathesis, pheromones, rearrangement, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1338450}, author = {Kurhade, Suresh E. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000325763700047, title = {Synthesis of Ag-glyconanoparticles using C-glycosides, their lectin binding studies and antibacterial activity}, journal = {New Journal of Chemistry}, volume = {37}, number = {11}, year = {2013}, month = {AUG}, pages = {3716-3720}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two 12-C-glycosyl dodecanoic acids, namely, 1-(alpha-D-mannopyranosyl)-12-dodecanoic acid and 1-(alpha-D-glucopyranosyl)-12-dodecanoic acid were synthesized. Their ability to act as reducing and capping agents for the synthesis of water re-dispersible silver nanoparticles is displayed. These Ag C-glycosyl nanoparticles were later utilized to investigate the carbohydrate-lectin interactions. Furthermore, the specificity of mannoside binding to the surface of the Gram negative bacterium Escherichia coli has been utilized to demonstrate the enhanced antibacterial activity of Ag-C-mannosyl nanoparticles towards this bacterium as compared to Ag-C-glycosyl nanoparticles.

}, issn = {1144-0546}, doi = {10.1039/c3nj00496a}, author = {Ramtenki, Vilas and Raju, D. and Mehta, Urmil J. and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article {42807, title = {Synthesis of C(27){\textendash}C(38) fragment of aflastatin A}, journal = {Tetrahedron}, volume = {69}, year = {2013}, month = {JAN}, pages = {1830{\textendash}1840}, abstract = {

Efforts at finding out a strategy for the synthesis of the densely hydroxylated C(27){\textendash}C(48) fragment of aflastatin A have been described. The initial studies dealing with alkyne{\textendash}epoxide coupling using a linear polyol epoxide resulted in a debenzylative cycloetherification leading to a C-arabinoside derivative. This problem has been addressed by applying an epoxide pendant on a furanosyl unit. With the model alkyne, the epoxide{\textendash}alkyne coupling proceeded smoothly. Subsequently, following a sequence of [Pd]-mediated alkynone cycloisomerization/stereoselective hydroboration{\textendash}oxidation, the synthesis of the central C(27){\textendash}C(38) fragment has been executed. When employed, the original C(33){\textendash}C(48) alkyne, the coupling and the cycloisomerizations are facile. However, the resulting glycals are unstable, thus warranting a revision in our approach.

}, keywords = {Aflastatin; Epoxide{\textendash}alkyne coupling; ω-Alkynone cycloisomerization; Palladium catalysis; Hydroboration}, doi = {10.1016/j.tet.2012.12.065}, author = {Narute, Sachin B. and Ramana, C.V.} } @article { ISI:000326290300011, title = {Synthesis of C-disaccharides through a one-pot alkynol cycloisomerization-reductive deoxygenation}, journal = {Chemistry-A European Journal}, volume = {19}, number = {45}, year = {2013}, month = {NOV}, pages = {15109-15114}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {C-disaccharides, carbohydrates, Epoxide-alkyne coupling, Gold catalysis, Reductive deoxygenation}, issn = {0947-6539}, doi = {10.1002/chem.201302252}, author = {Narute, Sachin B. and Rout, Jeetendra Kumar and Ramana, Chepuri V.} } @article { ISI:000316024500022, title = {Synthesis of low coercive BaFe12O19 hexaferrite for microwave applications in low-temperature cofired ceramic}, journal = {Journal of Electronic Materials}, volume = {42}, number = {4}, year = {2013}, month = {APR}, pages = {761-768}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Polycrystalline M-type barium hexaferrite (BaFe12O19) samples have been synthesized by solution combustion route at different pH and calcination conditions in order to reduce the coercivity for microwave applications in low-temperature cofired ceramic (LTCC) substrates. Structural, morphological, and magnetic properties of BaFe12O19 were studied by x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Raman spectroscopy, vibrating sample magnetometry (VSM), and Mossbauer spectroscopy. The formation of a single-phase hexagonal structure was confirmed by XRD. The Raman spectra reveal all characteristic peaks of BaFe12O19, illustrating the phase purity and crystal lattice symmetry of the synthesized material. Mossbauer spectra illustrate the existence of Fe3+ cations at all five crystallographic lattice sites. The microstructural features observed by FESEM disclose the growth of nanoregime particles into hexagonal platelet particles after calcination at temperatures from 800A degrees C to 1200A degrees C. The VSM results show a lower coercivity (1350 Oe to 3500 Oe) together with reasonably high saturation magnetization (55 emu/g to 60 emu/g) and a high bulk resistivity (\> 10(9) Omega-cm) at room temperature. The dependence of magnetic and electrical properties on the preparation and processing conditions is also discussed.

}, keywords = {Barium hexaferrite, coercivity, LTCC, Mossbauer spectroscopy, Raman spectroscopy}, issn = {0361-5235}, doi = {10.1007/s11664-012-2398-6}, author = {Rane, Vivek A. and Meena, Sher Singh and Gokhale, Suresh P. and Yusuf, S. M. and Phatak, Girish J. and Date, Sadgopal K.} } @article { ISI:000316693100020, title = {Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle}, journal = {Chemical Communications}, volume = {49}, number = {32}, year = {2013}, month = {MAR}, pages = {3342-3344}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Concise and protecting-group free synthesis of ent-palmyrolide A and (-)-cis-palmyrolide A were achieved starting from commercially available (S)-citronellal. The key fragment of palmyrolide A, {\textquoteleft}{\textquoteleft}(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide{\textquoteright}{\textquoteright}, which makes up the most challenging part of the target molecule, was prepared in just three steps. A plausible mechanism for the trans-cis isomerization of the double bond in the macrocycle has been investigated.

}, issn = {1359-7345}, doi = {10.1039/c3cc40541a}, author = {Philkhana, Satish Chandra and Seetharamsingh, B. and Dangat, Yuvraj B. and Vanka, Kumar and Reddy, D. Srinivasa} } @article { ISI:000320709000004, title = {Synthesis of pseudo-indoxyl derivatives via sequential Cu-catalyzed SNAr and Smalley cyclization}, journal = {Chemical Communications}, volume = {49}, number = {57}, year = {2013}, month = {APR}, pages = {6376-6378}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

ortho-Bromophenyl sec-alkyl/sec-alkenyl ketones, on reaction with sodium azide in the presence of copper salts, undergo sequential SNAr followed by Smalley cyclization to provide pseudo-indoxyl derivatives. Some of these pseudo-indoxyl derivatives exhibit interesting fluorescent properties and broad Stokes shifts.

}, issn = {1359-7345}, doi = {10.1039/c3cc41348a}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI:000323019400017, title = {Synthetic zipper peptide motif orchestrated via co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {31}, year = {2013}, month = {AUG}, pages = {11477-11480}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report on a new class of synthetic zipper peptide which assumes its three-dimensional zipper-like structure via a co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality. Structural studies carried out in both solid- and solution-state confirmed the zipper-like structural architecture assumed by the synthetic peptide which makes use of unusually remote inter-residual hydrogen-bonding and aromatic stacking interactions to attain its shape. The effect of chirality modulation and the extent of noncovalent forces in the structure stabilization have also been comprehensively explored via single-crystal X-ray diffraction and solution-state NMR studies. The results highlight the utility of noncovalent forces in engineering complex synthetic molecules with intriguing structural architectures.

}, issn = {0002-7863}, doi = {10.1021/ja405455g}, author = {Nair, Roshna V. and Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Jagadeesh, Bharatam and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000316095000011, title = {Target cum flexibility: simple access to benzofuran conjugated sugar and nucleoside derivatives}, journal = {Tetrahedron Letters}, volume = {54}, number = {14}, year = {2013}, month = {APR}, pages = {1824-1827}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The [Pd]-catalyzed domino process comprising of the coupling of alkynes and o-iodophenol and the subsequent cyclization leading to benzofurans has been successfully applied on the sugar and nucleoside derived alkynes. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Benzofuran, carbohydrates, cyclization, Nucleoside, Palladium}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.089}, author = {Kommagalla, Yadagiri and Srinivas, Kolluru and Ramana, C. V.} } @article { ISI:000326219500012, title = {Tetrazine templated method for the synthesis of ternary conjugates}, journal = {Chemical Communications}, volume = {49}, number = {92}, year = {2013}, month = {SEP}, pages = {10808-10810}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conjugation is an important reaction that enables coupling of molecules. Many protocols exist for the synthesis of binary conjugates from two different molecules or for the polyvalent display of a singlemolecule. There aren{\textquoteright}tmanymethods for the synthesis of ternary conjugates. However, methods for ternary conjugation are important for understanding the interplay of interactions between three biomolecules (or any three molecules per se). A strategy for ternary bioconjugation using inverse electron demand Diels-Alder reaction with tetrazine is studied. Ternary conjugation was demonstrated by the reaction of a model glyco-peptide binary conjugate with a fluorescent tagged olefin.

}, issn = {1359-7345}, doi = {10.1039/c3cc46634e}, author = {Rao, Boddu Venkateswara and Dhokale, Snehal A. and Rajamohanan, Pattuparambil R. and Hotha, Srinivas} } @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:000319708300034, title = {Triazole-linked anthracenyl-appended calix[4]arene conjugate as receptor for Co(II): synthesis, spectroscopy, microscopy, and computational studies}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {8}, year = {2013}, month = {APR}, pages = {3570-3576}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new triazole-linked anthracenyl-appended calix[4]arene-1,3-diconjugate (L) has been synthesized and characterized, and its single crystal XRD structure has been established. Binding properties of L toward different biologically relevant metal ions have been studied by fluorescence and absorption spectroscopy in ethanol. L exhibits selective recognition of Co2+ and can detect down to a concentration of 55 ppb (0.92 mu M). The roles of the calix[4]arene platform as well as the preorganized binding core in L{\textquoteright}s selective recognition have been demonstrated by studying appropriate control molecules. The mode of binding of L with Co2+ has been modeled both by DFT and MD computational calculations. L and its Co2+ complex could be differentiated on the basis of the nanostructural features observed in AFM and TEM.

}, issn = {0022-3263}, doi = {10.1021/jo400038x}, author = {Mummidivarapu, V. V. Sreenivasu and Hinge, Vijaya Kumar and Tabbasum, Khatija and Gonnade, Rajesh G. and Rao, Chebrolu P.} } @article { ISI:000330613400003, title = {Two-phase flow boiling in small channels: a brief review}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1083-1126}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Boiling flows are encountered in a wide range of industrial applications such as boilers, core and steam generators in nuclear reactors, petroleum transportation, electronic cooling and various types of chemical reactors. Many of these applications involve boiling flows in conventional channels (channel size \>= 3 mm). The key design issues in two phase flow boiling are variation in flow regimes, occurrence of dry out condition, flow instabilities, and understanding of heat transfer coefficient and vapor quality. This paper briefly reviews published experimental and modeling work in these areas. An attempt is made to provide a perspective and to present available information on boiling in small channels in terms of channel size, flow regimes, heat transfer correlations, pressure drop, critical heat flux and film thickness. An attempt is also made to identify strengths and weaknesses of published approaches and computational models of boiling in small channels. The presented discussion and results will provide an update on the state-of-the-art and will be useful to identify and plan further research in this important area.

}, keywords = {Boiling, dry-out, heat transfer, instabilities, small channel, two-phase flow}, issn = {0256-2499}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article { ISI:000338486300020, title = {1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {391}, year = {2014}, month = {SEP}, pages = {144-149}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transesterification of dimethyl carbonate (DMC) with glycerol (GLY) was investigated using various amines as catalysts. Amidines like 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) were found to be the best catalysts for this reaction. Best results: 98\% conversion of GLY with 96\% selectivity to GC (TON: 9408), were obtained with DBU as a catalyst. Effect of various reaction conditions on activity and selectivity were investigated using DBU as catalyst. The mechanism of the reaction was investigated with the help of H-1, C-13 and N-15 NMR analysis and OFT calculations. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {DBU, Glycerol, Glycerol carbonate, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.04.016}, author = {Munshi, Mudassir K. and Gade, Swapna M. and Mane, Manoj V. and Mishra, Deepti and Pal, Sourav and Vanka, Kumar and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000338296300009, title = {2-Aroylindoles from o-bromochalcones via Cu(I)-catalyzed SNAr with an azide and intramolecular nitrene C-H insertion}, journal = {Chemical Communications}, volume = {50}, number = {58}, year = {2014}, month = {May}, pages = {7790-7792}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple procedure for the synthesis of 2-aroylindole derivatives comprising a one-pot CuI-catalyzed SNAr reaction of o-bromochalconeswith sodium azide and subsequent intramolecular cyclization through nitrene C-H insertion has been developed. This protocol is also applicablewith the 2{\textquoteright}-bromocinnamates giving the indole-2-carboxylates.

}, issn = {1359-7345}, doi = {10.1039/c4cc02501f}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI:000331014900022, title = {3D flow reactors: flow, hydrodynamics, and performance}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {5}, year = {2014}, month = {FEB}, pages = {1916-1923}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A device comprised of a sequence of converging or diverging units aligned either in an axisymmetric or nonaxisymmetric manner can be used as a continuous flow reactor. Here we report the analysis of flow and hydrodynamics (pressure drop, residence time distribution, and mass transfer) for an axisymmetric geometry of a 3D flow reactor for single phase and two-phase flows. CFD simulations of the single phase flow have been used for identification of the precise geometrical configuration. The sequence of converging units as a flow reactor has been found to always be better than the sequence of diverging units. The residence time distribution analysis also favored the choice of converging flow as a better option. The performance of the device was verified by successfully carrying out a highly exothermic two-phase aromatic nitration of benzaldehyde (Delta H-r approximate to -172 kg/mol) with fuming nitric acid.

}, issn = {0888-5885}, doi = {10.1021/ie402311y}, author = {Sharma, Mrityunjay and Reddy, Venkateswara S. and Kulkarni, Amol A.} } @article { ISI:000336840900022, title = {9-Fluorenemethanol: an internal electron donor to fine tune olefin polymerization activity}, journal = {Dalton Transactions}, volume = {43}, number = {24}, year = {2014}, month = {MAR}, pages = {9143-9151}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new MgCl2 based molecular adduct has been synthesized with 9-fluorenemethanol (9FM) as a novel internal electron donor (IED), along with ethanol (EtOH) (MgCl2 center dot n9FM center dot xEtOH). The above molecular adduct has been subjected to a variety of structural, spectroscopic and morphological characterization techniques. The results of the solid state C-13 CPMAS NMR technique suggests the coordination of 9FM to MgCl2. Observation of a low angle diffraction peak at 2 theta = 5.7 degrees (d = 15.5 angstrom) underscores the coordination of 9FM along the z-axis, and ethanol in the molecular adduct. Active Ziegler-Natta catalysts were prepared by two different synthesis methods; the conventional method to obtain a high surface area active catalyst, and other one with 9FM as an integral part of the active catalyst in order to study the influence of 9FM as an IED over the active sites. The active catalysts were also characterized thoroughly with different analytical tools. The XRD results show (003) facets of delta-MgCl2 (alpha-MgCl2) for the conventional (non-conventional) titanated catalyst. Results of the ethylene polymerization activity study reveals that the conventionally prepared highly porous active catalyst shows 1.7-2.5 times higher activity than the non-conventional prepared catalyst; however, the latter shows a low molecular weight distribution and confirms the role of the Lewis base as an IED.

}, issn = {1477-9226}, doi = {10.1039/c4dt00793j}, author = {Gnanakumar, Edwin S. and Chokkapu, Eswara Rao and Kunjir, Shrikant and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000340500300065, title = {Access to harmonine, a chemical weapon of ladybird beetles}, journal = {RSC Advances}, volume = {4}, number = {58}, year = {2014}, month = {JUL}, pages = {30923-30926}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis of harmonine, a defense alkaloid from the harlequin ladybird is reported by three different routes. The preparation of several new analogs with the same molecular weight and the decoration of gold nanoparticles with harmonines are also part of the present communication.

}, issn = {2046-2069}, doi = {10.1039/c4ra05859c}, author = {Philkhana, Satish Chandra and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Reddy, D. Srinivasa} } @article {46401, title = {Allostery mapping in enterococcus faecalis Bile Salt Hydrolase (BSH)}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C274}, type = {Meeting Abstract}, keywords = {Allostery, Bile salt hydrolase, MD Simulation}, issn = {2053-2733}, author = {Yadav, Yashpal and Ramasamy, Sureshkumar} } @article { ISI:000331163900002, title = {Asymmetric vinylogous mannich reaction of silyloxy furans with N-tert-butanesulfinyl ketimines}, journal = {Organic Letter}, volume = {16}, number = {3}, year = {2014}, month = {FEB}, pages = {648-651}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A highly regio- and diastereoselective TMSOTf promoted vinylogous Mannich reaction for the synthesis of chiral quaternary 3-aminooxindole butenolides from 2-silyloxy furans and chiral ketimines is described. The method is found to be very efficient and also provides a facile access to sterically challenging 3-aminooxindole butenolides bearing two quaternary centers in continuation. Further, the versatility of the method is demonstrated by the 1,4-addition of nucleophiles on the sterically congested butenolide substructure..

}, issn = {1523-7060}, doi = {10.1021/ol4037117}, author = {Rao, V. U. Bhaskara and Jadhav, Amol P. and Garad, Dnyaneshwar N. and Singh, Ravi P.} } @article { ISI:000329293600019, title = {Bacillus enclensis sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {1}, year = {2014}, month = {JAN}, pages = {199-206}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {Bacillus sp, Marine sediment, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-013-0066-3}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Ramana, V. Venkata and Shouche, Yogesh S.} } @article { ISI:000338818800044, title = {Biological synthesis of cationic gold nanoparticles and binding of plasmid DNA}, journal = {Materials Letters}, volume = {129}, year = {2014}, month = {AUG}, pages = {159-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanobiotechnology is the development of eco-friendly experimental processes for the synthesis of nanomaterials. The present work focuses on synthesis of cationic gold nanoparticles (C-GNPs) for biological applications, especially in gene and drug delivery studies. A biosynthesis methodology has been developed for the functionalization of gold nanoparticles to cationic nature. The synthesis of C-GNPs was done by using peanut leaf extract in the presence of cysteamine. The formed C-GNPs were characterized by using UV-visible spectroscopy (UV-vis), the particles sizes and shapes were confirmed by a Transmission electron microscope (TEM) and crystallinity of C-GNPs was characterized by diffraction. The binding of plasmid DNA on the C-GNPs was confirmed by agarose gel electrophoresis. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Biomaterials, Cationic, Nanoparticles, Plasmid DNA, synthesis, TEM}, issn = {0167-577X}, doi = {10.1016/j.matlet.2014.05.021}, author = {Raju, D. and Vishwakarma, Rishi K. and Khan, Bashir Mohammad and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000345075400006, title = {Calorimetric elucidation of ionic interactions in room temperature ionic liquid solutions}, journal = {Clean Technologies and Environmental Policy }, volume = {16}, number = {8, SI}, year = {2014}, month = {DEC}, pages = {1529-1536}, publisher = {SPRINGER}, type = {Review}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Knowledge of thermal properties of room temperature ionic liquid (RTIL) solutions is essential in chemical process designing in addition to their application in understanding ionic interactions at molecular level. RTILs are considered to be substitutes for volatile organic compounds. While some experimental thermal data on these systems are available in a random manner, the modeling efforts to correlate enthalpy-concentration profiles of RTIL solutions are very scanty. In this review, an effort has been made to compare and discuss the experimental data of these RTIL solutions available in the literature. The readers are also made aware of the disappointing situation regarding the availability of any type of correlative models for the enthalpy-concentration data of the RTIL systems. An accurate knowledge of activity coefficients at infinite dilutions, Iyen (i) (a) acquired from thermal data will serve as inputs for the newer less polluting process designing and thus open opportunity for a cleaner environment.

}, keywords = {Calorimeters, Correlative models, Excess partial molar enthalpy, Room temperature ionic liquids}, issn = {1618-954X}, doi = {10.1007/s10098-013-0644-0}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000328283800016, title = {Chemically doped perylene diimide lamellae based field effect transistor with low operating voltage and high charge carrier mobility}, journal = {Chemical Communications}, volume = {50}, number = {3}, year = {2014}, month = {OCT}, pages = {326-328}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Chemical doping of an electron transporter results in the formation of a radical anion containing semiconductor which showed high electron mobility (13 cm(2) V-1 s(-1)) at low operating voltage (1 V).

}, issn = {1359-7345}, doi = {10.1039/c3cc45391j}, author = {Arulkashmir, Arulraj and Jain, Bhanprakash and John, Jino C. and Roy, Kanak and Krishnamoorthy, Kothandam} } @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:000331624700039, title = {Chitosan and chitosan-co-poly(epsilon-caprolactone) grafted multiwalled carbon nanotube transducers for vapor sensing}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {14}, number = {3}, year = {2014}, month = {MAR}, pages = {2425-2435}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Vapor sensitive transducer films consisting of chitosan grafted (CNT-CS) and chitosan-co-polycaprolactone grafted (CNT-CS-PCL) multiwalled carbon nanotubes were prepared using a spray layer-by-layer technique. The synthesized materials (CNT-CS and CNT-CS-PCL) were characterized by Fourier transform infrared spectroscopy, C-13 CP/MAS solid state nuclear magnetic resonance spectroscopy and thermogravimetric analysis. Both CNT-CS and CNT-CS-PCL transducers were analyzed for the response of volatile organic compounds and toluene vapors. The ranking of the relative resistance (A(r)) for both chitosan based transducers were as follows: toluene \< chloroform \< ethanol \< methanol. The CNT transducer (CNT-CS) was correlated selectively with an exponential law to the inverse of Flory-Huggins interaction parameters, chi(12). Dosing the films on the interdigitated electrodes with methanol, ethanol, chloroform and toluene vapors increased the film resistance of CNT-CS but decreased the resistance of CNT-CS-PCL compared to that of the reported transducers.

}, keywords = {Biocompatibility, Chitosan, MWCNTs, Poly(epsilon-caprolactone), Vapour Sensing}, issn = {1533-4880}, doi = {10.1166/jnn.2014.8498}, author = {Rana, Vijay Kumar and Akhtar, Shamim and Chatterjee, Sudipta and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @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:000332388900042, title = {Confined space synthesis of fully alloyed and sinter-resistant AuPd nanoparticles encapsulated in porous silica}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {12}, year = {2014}, month = {JAN}, pages = {4398-4405}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Facile synthesis of highly sinter-resistant silica encapsulated Au-Pd alloy nanocatalysts with average particle size stabilized at similar to 4.5 nm even after calcination at 750 degrees C temperature is reported. The synthesis was achieved by utilizing thiol protected ultra small clusters of Au and Pd as precursors for silica encapsulation. The presence of intimate mixtures of the clusters within silica encapsulation ensures the formation of fully alloyed nanoparticles at high temperatures, at the same time controlling further growth and sintering. At optimum alloy compositions, these catalysts showed high catalytic activity for CO oxidation displaying low light-off temperatures.

}, issn = {2050-7488}, doi = {10.1039/c3ta15194h}, author = {Samanta, Anupam and Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000331895900018, title = {Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid}, journal = {Chemical Communications}, volume = {50}, number = {22}, year = {2014}, month = {JAN}, pages = {2886-2888}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the influence of beta-aminobenzenesulfonic acid ((S)Ant) on the conformational preferences of hetero foldamers. The designed (Aib-(S)Ant-Aib)(n) and (Aib-(S)Ant-Pro)(n) oligomers display a well-defined folded conformation featuring intramolecular mixed hydrogen bonding (7/11) and intra-residual (6/5) H-bonding interactions, respectively.

}, issn = {1359-7345}, doi = {10.1039/c3cc48850k}, author = {Kale, Sangram S. and Kunjir, Shrikant M. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000330489500002, title = {Controlled release of antimicrobial Cephalexin drug from silica microparticles}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {34}, year = {2014}, month = {JAN}, pages = {9-14}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Release of antimicrobial drugs in a controlled fashion for extended duration of time has been investigated for long. Such controlled-drug-releasing materials show promising applications in medicinal bandages. Along with antimicrobial agents, one could also incorporate other therapeutic drugs, to make such bandages more versatile. In this context, silica micro particles were synthesized using direct reduction method, in which the synthesis was done in the presence of Cephalexin. Cephalexin was chosen as an antimicrobial candidate. The morphological characterization shows formation of monodispersed, silica microparticles of similar to 200 nm in size. The FTIR spectroscopy shows weak interaction of the drug molecule at its hydroxide (OH) site with oxygen ions on the silica surface. Upon conjugation, the UV-vis spectroscopy shows persistence of the Cephalexin signature, especially its R group, confirming its antimicrobial activity even after conjugation. Loading studies reveal 12\% Cephalexin loading on silica. The antimicrobial studies were done on three micro-organisms, namely, Staphylococcus aureus, Bacillus subtilis and Escherichia coli. Using zone-of-inhibition studies, it was found that E. coli, did not respond to the delivery of Cephalexin either directly or via microparticles. However, for both S. aureus and B. subtilis, the particles showed controlled release of Cephalexin for the duration of 48 h and continued maintenance and even increase in the zone of inhibition. This work demonstrates an effective protocol to prepare antimicrobial patches for controlled drug delivery. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Antimicrobial, Medicinal bandage, Silica microparticles, sustained drug release}, issn = {0928-4931}, doi = {10.1016/j.msec.2013.10.002}, author = {Rao, B. V. Bhaskara and Mukherji, Ruchira and Shitre, G. and Alam, F. and Prabhune, Asmita and Kale, Sangeeta N.} } @article { ISI:000346322200038, title = {Crystal shape evolution using polyhedral population balance}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18966-18974}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Research on crystal morphology covers shape evolution of single crystal and evolution of the size and shape distribution of populations of crystals. The population balance models have been used for the single or multiple dimensions for predicting the evolution of crystal size distributions (CSDs). More often than not these models do not consider the change in solute concentration due to disappearance/appearance of the crystal faces and therefore compromise rigorous mass balance. The present work focuses on the methodology for the morphological evolution of crystal shape using a polyhedral population balance model. This methodology is based on the morphodrome which illustrates the shapes of crystals at various operating conditions. gPROMS software (PSE, UK) along with Microsoft Excel is used to devise the framework for predicting the crystal shape evolution. The developed approach and models can be implemented for various crystallization systems and will be useful for simulating crystal shape evolutions.

}, issn = {0888-5885}, doi = {10.1021/ie501039c}, author = {Shaikh, Latif J. and Ranade, Vivek V. and Pandit, Aniruddha B.} } @article {46389, title = {Crystal structure of AtGet3 Delta L, a chloroplast Get3 from Arabidopsis thaliana}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1179}, type = {Meeting Abstract}, keywords = {Arabidopsis thaliana, Get3, protein targeting}, issn = {2053-2733}, author = {Manu, M. S. and Ramasamy, Sureshkumar} } @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:000331347300019, title = {Culturable bacterial phylogeny from a shallow water hydrothermal vent of espalamaca (Faial, Azores) reveals a variety of novel taxa}, journal = {Current Science}, volume = {106}, number = {1}, year = {2014}, month = {JAN}, pages = {58-69}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Phylogenetic diversity of the 16S rRNA gene associated with the domain bacteria was examined at the level of operational taxonomic units (OTUs) using the rarefaction analysis from a newly identified shallow water hydrothermal vent, Espalamaca in the Azorean Island Faial (Horta), North Atlantic Ocean. Diluted sea water nutrient agar amended with metals manganese, lead, iron and element sulphur, could help in retrieving highest OTUs (95) from the vent and 39 OTUs from nonvent. Molecular tools implemented on bacterial census indicated the occupancy of gamma-Proteobacteria by 55.78\%, alpha-Proteobacteria by 21.05\% and 12.63\% of Bacteroidetes in the total population. Occurrence of novel species maximized with alpha-Proteobacteria (11/20) followed by Bacteroidetes (5/12) signified the necessity of studying these groups to strengthen the biodiversity database. Shannon index (H{\textquoteright}) and the Chao I richness estimator illustrated a strong bacterial community in the venting area. The current study confers many bacterial genera which were not reported earlier in any of the shallow water vents and adds 33 new taxa to the database.

}, keywords = {Bacterial phylogeny, metals, novel taxa, rarefaction analysis, shallow vent}, issn = {0011-3891}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Colaco, Ana and Dastager, Syed Gulam and Santos, Ricardo Serrao and Meena, Ram Murti} } @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 { 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 { ISI:000344448000007, title = {Development of bioconjugate from streptomyces tyrosinase and gold nanoparticles for rapid detection of phenol constituents}, journal = {Indian Journal of Experimental Biology}, volume = {52}, number = {11}, year = {2014}, month = {NOV}, pages = {1071-1081}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Most of the phenol compounds are toxic and have been considered as hazardous pollutants. Several physicochemical and biological methods are available to detect and monitor the phenol pollutants in water and soil. In the present study, phenol constituents of winery, paper and plastic industrial effluents were successfully detected employing tyrosinase-gold nanoparticles bioconjugate. The synthesis of extracellular tyrosinase and gold nanoparticles was achieved by a single isolate of Streptomyces sp. DBZ-39. Enhanced production (369.41 IU) of tyrosinase was produced in submerged bioprocess employing response surface method with central composite design. Extracellular gold nanoparticles synthesized (12-18 nm) by Streptomyces sp. DBZ-39 were characterized with TEM, EDAX and FTIR analysis. A rapid detection (within 10 min) of phenol constituents from winery effluents was achieved by bioconjugate, when compared to tyrosinases and gold nanoparticles independently. Streptomyces tyrosinase could exhibit relatively a better performance than commercially available mushroom tyrosinase in the detection of phenol constituents. Winery effluent has shown much higher content (0.98 O.D) of phenol constituents than paper and plastic effluents based on the intensity of color and U.V absorption spectra.

}, keywords = {Bioconjugate, gold nanoparticles, Phenol detection, Streptomyces, Tyrosinase}, issn = {0019-5189}, author = {Zainab, Mazhari Bi Bi and Madhusudhan, D. N. and Raghavendra, H. and Dastager, Syed Gulam and Dayanand, Agsar} } @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:000339727800002, title = {Dimorphism and hydrocarbon metabolism in Yarrowia lipolytica var. indica}, journal = {Archives of Microbiology}, volume = {196}, number = {8}, year = {2014}, month = {AUG}, pages = {545-556}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Yarrowia lipolytica is able to metabolize high Mr hydrophobic natural compounds such as fatty acids and hydrocarbons. Characteristically, strains of Y. lipolytica can grow as populations with variable proportions of yeast and filamentous forms. In the present study, we describe the dimorphic characteristics of a variant designated as Y. lipolytica var. indica isolated from petroleum contaminated sea water and the effect of cell morphology on hydrocarbon metabolism. The variant behaved as a yeast monomorphic strain, under conditions at which terrestrial Y. lipolytica strain W29 and its derived strains, grow as almost uniform populations of mycelial cells. Using organic nitrogen sources and N-acetylglucosamine as carbon source, var. indica was able to form mycelial cells, the proportion of which increased when incubated under semi-anaerobic conditions. The cell surface characteristics of var. indica and W29 were found to be different with respect to contact angle and percent hydrophobicity. For instance, percent hydrophobicity of var. indica was 89.93 +/- A 1.95 while that of W29 was 70.78 +/- A 1.1. Furthermore, while all tested strains metabolize hydrocarbons, only var. indica was able to use it as a carbon source. Yeast cells of var. indica metabolized hexadecane with higher efficiency than the mycelial form, whereas the mycelial form of the terrestrial strain metabolized the hydrocarbon more efficiently, as occurred with the mycelial monomorphic mutant AC11, compared to the yeast monomorphic mutant AC1.

}, keywords = {Hexadecane metabolism, Yarrowia lipolytica, Yeast-mycelium transition}, issn = {0302-8933}, doi = {10.1007/s00203-014-0990-2}, author = {Palande, A. S. and Kulkarni, S. V. and Leon-Ramirez, C. and Campos-Gongora, E. and Ruiz-Herrera, J. and Deshpande, Mukund V.} } @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:000337689900034, title = {Effect of composition and pretreatment parameters on activity and stability of Cu-Al catalysts for water-gas shift reaction}, journal = {ChemCatChem}, volume = {6}, number = {6}, year = {2014}, month = {JUN}, pages = {1698-1706}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We investigated various Cu species responsible for highly efficient Cu-Al oxide catalyst for the water-gas shift reaction (WGSR). The formation of various Cu species was achieved by systematically varying the Cu-Al composition in the coprecipitated mixed Cu-Al oxides. The Cu-Al composition of 70:30 (Cu-Al-7) was the best for WGSR using the reformate gas composition. In addition, the Cu-Al-7 catalyst reduced under 100\% H-2, was relatively stable with time on stream of 100 h, at higher gas hourly space velocity of 36201 h(-1). The structural investigation of our coprecipitated catalysts with varying Cu-Al compositions revealed the formation of nonzero oxidation state copper and metallic Cu to be essential for the observed WGSR activity. In addition, the highest activity and stability of Cu-Al-7 catalysts reduced under 100\% H-2 at lower temperature was attributed to particle-size stabilization and a lower extent of Cu aggregation by Cu2O and boehmite phases, respectively, along with the formation of various Cu species during the activation protocol for 12 h. Complete CO2 selectivity without methanation was observed for all the Cu-Al compositions irrespective of their pretreatment conditions.

}, keywords = {aluminum, Copper, fuel cells, Hydrogen, reduction}, issn = {1867-3880}, doi = {10.1002/cctc.201301049}, author = {Mane, Rasika B. and Jeong, Dae-Woon and Malawadkar, Atul V. and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article { ISI:000349128700077, title = {Effect of gold nanoparticle on structure and fluidity of lipid membrane}, journal = {Plos One}, volume = {9}, number = {12}, year = {2014}, month = {DEC}, pages = {Article No. : e114152}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

This paper deals with the effect of different size gold nanoparticles on the fluidity of lipid membrane at different regions of the bilayer. To investigate this, we have considered significantly large bilayer leaflets and incorporated only one nanoparticle each time, which was subjected to all atomistic molecular dynamics simulations. We have observed that, lipid molecules located near to the gold nanoparticle interact directly with it, which results in deformation of lipid structure and slower dynamics of lipid molecules. However, lipid molecules far away from the interaction site of the nanoparticle get perturbed, which gives rise to increase in local ordering of the lipid domains and decrease in fluidity. The bilayer thickness and area per head group in this region also get altered. Similar trend, but with different magnitude is also observed when different size nanoparticle interact with the bilayer.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0114152}, author = {Mhashal, Anil R. and Roy, Sudip} } @article { ISI:000345479000014, title = {Effect of preparation parameters on characterization and activity of Co3O4 catalyst in liquid phase oxidation of lignin model substrates}, journal = {Applied Catalysis A-General}, volume = {487}, year = {2014}, month = {OCT}, pages = {130-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The nano structured spinel cobalt oxide (Co3O4) was prepared via simple co-precipitation method and its catalytic activity was evaluated for the liquid phase aerobic oxidation of lignin sub structure compounds such as veratryl alcohol. Catalyst preparation parameters influenced its morphology eventually affecting its oxidation activity. Thus, nano rod shaped CO3O4 catalyst showed 75\% and 38\% conversion of veratryl alcohol with complete selectivity to veratryl aldehyde in toluene and water, respectively, under base free condition. The influence of reaction conditions, such as temperature, oxygen pressure and catalyst loading was studied to obtain the optimum product yield and selectivity to the desired product. Furthermore, oxidation of various sub-structures of lignin model compounds was also studied over the same catalyst which was found to be in the following order: secondary alcohol \>di-substituted \> tri-substituted \> monosubstituted \> non-substitution. The stability of the catalyst was confirmed by its successful recycle for three times. (c) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Coniferyl alcohol, Nano Co3O4, Sinapyl alcohol, TPR, Veratryl alcohol}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.08.023}, author = {Mate, Vivek R. and Jha, Ajay and Joshi, U. D. and Patil, K. R. and Shirai, M. and Rode, C. V.} } @article { ISI:000347498500064, title = {Effect of pt incorporation in LaBO3 (B = Mn, Fe, Co) perovskites on water gas shift activity}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {395}, year = {2014}, month = {DEC}, pages = {506-513}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt incorporated perovskites LaBO3 (B = Mn, Co, Fe) were synthesised and characterised to understand the charge state of Pt in these materials. At the temperature range used in this study, Pt could be stabilised in ionic form in Co and Fe perovskites but not in LaMnO3. Consequent to incorporation of Pt in +2 and +4 oxidation states, reduction in B site ion charge state occurred, enhancing oxygen vacancies. Pt doped Co and Fe perovskites showed high activity for CO conversion under water gas shift conditions but the activity characteristics were found to be different for the two catalysts; LaCo1-xPtxO3-delta showed methanation whereas the Fe counterpart was active in water gas shift reaction. It was also observed that methanation could be decreased and water gas shift enhanced in case of Pt doped Co perovskite when compared to Pt impregnated perovskite or mixed oxides. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Methanation, Perovskites, Pt doping, Water gas shift reaction, XANES}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.09.015}, author = {Rajesh, Thattarathody and Upadhyay, Anuj and Sinha, Anil K. and Deb, Sudip K. and Devi, R. Nandini} } @article { ISI:000328665300008, title = {Effect of SnO2/Al2O3 ratio of Si-based MFI on its acidity and hydrophobicity: application in selective hydroxyalkylation of p-cresol}, journal = {Catalysis Communications}, volume = {44}, number = {SI}, year = {2014}, month = {JAN}, pages = {29-34}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Silica based MR type molecular sieves with various SnO2/Al2O3 ratios were synthesized from gels having molar compositions SiO2:xSnO(2):yAl(2)O(3):0.23(TPA)(2)O:35H(2)O where 0 \<= x \<= 0.02 and 0 \<= y \<= 0.01. Recyclable, Al-free Sn-MFI catalyst showed 31\% conversion of formaldehyde with 100\% selectivity to 2,2{\textquoteright}-methylenebis(4-methylphenol) in hydroxyalkylation of p-cresol with formaldehyde on account of moderate acidity and higher hydrophobicity. (C) 2013 Elsevier B.A. All rights reserved.

}, keywords = {Al-27 MAS NMR, Hydroxyalkylation, Molecular sieves, p-Cresol, Stannosilicate}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.08.002}, author = {Garade, Ajit C. and Malwadkar, A. V. and Niphadkar, P. S. and Jha, Ratnesh Kumar and Joshi, P. N. and Rode, C. V.} } @article { ISI: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:000340696200021, title = {Efforts towards the synthesis of microsporin B: ready access to both the enantiomers of the key amino acid fragment}, journal = {Tetrahedron Letters}, volume = {55}, number = {34}, year = {2014}, month = {AUG}, pages = {4777-4779}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

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

}, keywords = {Cross metathesis, Enzymatic resolution, HDAC inhibitor, Microsporin, Tetrapeptide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.06.093}, author = {Swaroop, Pandrangi Siva and Tripathy, Sibanarayan and Jachak, Gorakhnath R. and Reddy, D. Srinivasa} } @article { ISI:000339861500096, title = {Electrochemical preparation of vertically aligned, hollow CdSe nanotubes and their p-n junction hybrids with electrodeposited Cu2O}, journal = {Nanoscale}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Vertically aligned, hollow nanotubes of CdSe are grown on fluorine doped tin oxide (FTO) coated glass substrates by ZnO nanowire template-assisted electrodeposition technique, followed by selective removal of the ZnO core using NH4OH. A detailed mechanism of nucleation and anisotropic growth kinetics of nanotubes have been studied by a combination of characterization tools such as chronoamperometry, SEM and TEM. Interestingly, {\textquoteleft}{\textquoteleft}as grown{\textquoteright}{\textquoteright} CdSe nanotubes (CdSe NTs) on FTO coated glass plates behave as n-type semiconductors exhibiting an excellent photo-response (with a generated photocurrent density value of similar to 470 mu A cm(-2)) white in contact with p-type Cu2O (p-type semiconductor, grown separately on FTO plates) because of the formation of a n-p heterojunction (type II). The observed photoresponse is 3 times higher than that of a similar device prepared with electrodeposited CdSe films (not nanotubes) and Cu2P on FTO. This has been attributed to the hollow 1-D nature of CdSe NTs, which provides enhanced inner and outer surface areas for better absorption of light and also assists faster transport of photogenerated charge carriers.

}, issn = {2040-3364}, doi = {10.1039/c3nr06917f}, author = {Debgupta, Joyashish and Devarapalli, Rami Reddy and Rahman, Shakeelur and Shelke, Manjusha V. and Pillai, Vijayamohanan K.} } @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:000334731300013, title = {Elucidation of ionic interactions in the protic ionic liquid solutions by isothermal titration calorimetry}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {15}, year = {2014}, month = {APR}, pages = {4160-4168}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The strong hydrogen-bonded network noted in protic ionic liquids (PILs) may lead to stronger interactions of the ionic entities of PILs with solvents (water, methanol, ethylene glycol, climethylsulfoxide (DMSO), N,N{\textquoteright}-dimethylformamide (DMF)) as compared with those of aprotic ionic liquids (APILs). The PILs used in this work are 1-methylimidazolium tetrafluoroborate, 2-methylpyridinium tetrafluoroborate, and N-methylpyrrolodinium tetrafluoroborate in comparison to 1-butyl-3-methylimidazolium tetrafluoroborate, which is classified as an APIL. In this work, the excess partial molar enthalpy, H-IL(E) obtained from isothermal calorimetric titrations at 298.15 K is used to probe the nature of interactions of the PIL cations with solvent molecules against those present in APIL solvent systems. This work also reports interesting flip-flopping in the thermal behavior of these PIL-solvent systems depending upon the structure of the cationic ring of a PIL. In some cases, these flip-flops are the specific fingerprints for specific PILs in a common solvent environment. The excess partial molar enthalpy at infinite dilution, H-IL(E,infinity), of these PILs bears a critical dependence on the solvent properties. An analysis of relative apparent molar enthalpies, phi(L), of the PIL solutions by the ion interaction model of Pitzer yields important information on ionic interactions of these systems.

}, issn = {1520-6106}, doi = {10.1021/jp5019179}, author = {Rai, Gitanjali and Kumar, Anil} } @article {46383, title = {Engineering of the tat pathway and chaperons}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C273}, type = {Meeting Abstract}, keywords = {Protein transport, Signal sequence, Tat Pathway}, issn = {2053-2733}, author = {Ghosh, Deepanjan and Ramasamy, Sureshkumar} } @article { ISI:000334895800005, title = {Engineering reactors for catalytic reactions}, 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 = {341-351}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Catalytic reactions are ubiquitous in chemical and allied industries. A homogeneous or heterogeneous catalyst which provides an alternative route of reaction with lower activation energy and better control on selectivity can make substantial impact on process viability and economics. Extensive studies have been conducted to establish sound basis for design and engineering of reactors for practising such catalytic reactions and for realizing improvements in reactor performance. In this article, application of recent (and not so recent) developments in engineering reactors for catalytic reactions is discussed. Some examples where performance enhancement was realized by catalyst design, appropriate choice of reactor, better injection and dispersion strategies and recent advances in process intensification/ multifunctional reactors are discussed to illustrate the approach.

}, keywords = {Catalyst, effectiveness, engineering, hydrodynamics, reactors}, issn = {0974-3626}, author = {Ranade, Vivek V.} } @article { ISI:000341152600073, title = {Enhanced field emission properties of doped graphene nanosheets with layered SnS2}, journal = {Applied Physics Letters}, volume = {105}, number = {4}, year = {2014}, month = {JUL}, pages = {043109}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report here our experimental investigations on p-doped graphene using tin sulfide (SnS2), which shows enhanced field emission properties. The turn on field required to draw an emission current density of 1 mu A/cm(2) is significantly low (almost half the value) for the SnS2/reduced graphene oxide (RGO) nanocomposite (2.65 V/mu m) compared to pristine SnS2 (4.8 V/mu m) nanosheets. The field enhancement factor beta (similar to 3200 for the SnS2 and similar to 3700 for SnS2/RGO composite) was calculated from Fowler-Nordheim (F-N) plots, which indicates that the emission is from the nanometric geometry of the emitter. The field emission current versus time plot shows overall good emission stability for the SnS2/RGO emitter. The magnitude of work function of SnS2 and a SnS2/graphene composite has been calculated from first principles density functional theory (DFT) and is found to be 6.89 eV and 5.42 eV, respectively. The DFT calculations clearly reveal that the enhanced field emission properties of SnS2/RGO are due to a substantial lowering of the work function of SnS2 when supported by graphene, which is in response to p-type doping of graphene. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4892001}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI: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 {45977, title = {Extracellular synthesis of silver nanoparticles using living peanut seedling}, journal = {Applied Nanoscience}, volume = {4}, year = {2014}, month = {OCT}, pages = {875-879}, type = {Article}, abstract = {

Synthesis of nanoparticles by environment friendly method is an important aspect of nanotechnology. In the present study, extracellular reduction of silver ions to silver nanoparticles was carried out using living peanut plant. The electron microscopic analysis shows that the formed nanoparticles were of different shapes and sizes. The formed nanoparticles were polydispersed. The shapes of the nanoparticles were spherical, square, triangle, hexagonal and rod. Most of the particles were spherical and 56 nm in size. EDS analysis confirmed the formed nanoparticles were of silver. The crystalline nature of nanoparticles was confirmed by diffraction. This method opens up an exciting possibility of plant-based synthesis of other inorganic nanomaterials. This study confirms the synthesis of extracellular silver nanoparticles by living plant.

}, keywords = {Nanoparticles, Shapes, Silver, synthesis, TEM}, issn = {2190-5509}, doi = {10.1007/s13204-013-0269-y}, author = {Raju, D. and Paneliya, Nikita and Mehta, Urmil J.} } @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 {43348, title = {Factors influence on growth, don and niv production by two species of fusarium isolated from finger millets [eleusine coracana l.]}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {6}, year = {2014}, month = {DEC}, pages = {312-317}, abstract = {ABSTRACT Objective: The present investigations (In vitro) on an influence of different synthetic and food based [flour] media, pH, temperature and microbial nutrients on growth, Deoxynivalenol [DON] and Nivalenol [NIV] production by Fusarium aethiopicum and F. culmorum was carried out. Methods: Fusarium species associated with the finger millets were isolated and identified phenotypically and further confirmed by molecular methods by Polymerase Chain Reaction [PCR]. Monosporic seven day old F. aethiopicum and F. culmorum were grown in CYA broth and incubated at 27{\textpm}2{\textdegree}C on rotary shaker for 21 days at 120 rpm. At the end of 21 day incubation period, cultures were harvested for determination of fungal biomass. The resultant culture filtrates were extracted twice with ethyl acetate and concentrated to get and final concentration of 1 ml in methanol and employed for RP-HPLC analysis for detection of DON and NIV production. Results: Finger millets flour medium induced the highest amount of mycelial growth, DON and NIV production by F. aethiopicum. However, F. culmorum achieved highest amount of hyphal growth, DON and NIV production under the influence of yeast extract sucrose [YES] medium. Maize flour medium, rice flour medium and sorghum flour medium was next preffered substrates. Optimum pH of 5.5-6.5 and temperature of 20-35{\textdegree}C for growth, DON and NIV production was observed. Both the species of Fusarium failed to grow and produce toxins at pH 2.5-3.5 and temperature of 40{\textdegree}C. Yeast extract was most favorable for maximum DON and NIV production, which increased with an increase in its concentration. On the other hand, malt extract and beef extract induced good growth and mycotoxin production at comparatively higher concentration in both the species of Fusarium under study. Conclusion: Comparatively food based media were the better substrates than synthetic media for both growth and DOIN and NIV production by two species of Fusarium under investigation. A positive correlation coefficient [r] on growth [0.458], DON [0.744] and NIV [0.882] was recorded among the media and both the species of Fusarium. Keywords: Finger millets, F. aethiopicum, F. culmorum, Synthetic media, pH, Temperature, Microbial nutrients, DON, NIV, HPLC}, author = {Vankudoth, Koteswara Rao and Penugonda, Shilpa and Sivadevuni, Girisham and Reddy, S. M.} } @article { ISI:000338401900019, title = {Ferromagnetism at room temperature in activated graphene oxide}, journal = {Chemical Physics Letters}, volume = {605}, year = {2014}, month = {JUN}, pages = {89-92}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

High room temperature ferromagnetic moment with high Curie temperature (\>700 K) for graphene oxide (GO) is obtained by a simple chemical activation using phosphoric acid followed by heat treatment at 800 degrees C. The field and temperature variations of the magnetization data indicate ferromagnetic, paramagnetic and diamagnetic contributions in the acid/heat treated sample. IR spectroscopic studies suggest hydrogenation (reduction) of GO after the acid and heat treatments. The results point to the role of defects, extent of hydrogenation, changes in the bonding characteristics and the nature of the functional groups in determining the different magnetic contributions. (C) 2014 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2014.05.027}, author = {Raj, K. Govind and Joy, Pattayil Alias} } @article { ISI:000330953700003, title = {Fictibacillus enclensis sp nov., isolated from marine sediment}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {461-469}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, issn = {0003-6951}, doi = {10.1063/1.4903271}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and Chakravarty, Disha and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000341883700033, title = {Flexible, polymer-supported synthesis of sphingosine derivatives provides ceramides with enhanced biological activity}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {22}, number = {19}, year = {2014}, month = {OCT}, pages = {5506-5512}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A polymer-supported route for the synthesis of sphingosine derivatives is presented based on the C-acylation of polymeric phosphoranylidene acetates with an Fmoc-protected amino acid. The approach enables the flexible variation of the sphingosine tail through a deprotection-decarboxylation sequence followed by E-selective Wittig olefination cleavage. D-Erythro-sphingosine analogs have been synthesized by diastereoselective reduction of the keto group employing LiAlH(O-tBu)(3) as reducing agent. The effect of ceramides and keto-ceramides on the proliferation of three cancer cell lines HEP G-2, PC-12 and HL-60 was investigated and a ceramide containing an aromatic sphingosine tail was identified as being most active. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Apoptosis, Ceramide, Lipid rafts, Lipids, Sphingosine}, issn = {0968-0896}, doi = {10.1016/j.bmc.2014.07.024}, author = {El-Dahshan, Adeeb and Al-Gharabli, Samer I. and Radetzki, Silke and Al-Tel, Taleb H. and Kumar, Pradeep and Rademann, Joerg} } @article { ISI:000330083100010, title = {Formation of a pseudo-beta-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {5}, year = {2014}, month = {FEB}, pages = {774-782}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report a special case of pseudo-beta-hairpin formation by tetrapetide sequences featuring a two-membered Ant Pro dipeptide motif (Ant = anthranilic acid and Pro = proline) at the loop region. These folded structures uniquely feature the presence of C9- and C17-H-bonding patterns at reverse turn and interstrand regions, respectively. Their hairpin nucleation and folding propensities have been expounded using solution and solid state studies of distinct stereochemically altered sequences.

}, issn = {1477-0520}, doi = {10.1039/c3ob42016g}, author = {Nair, Roshna V. and Kotmale, Amol S. and Dhokale, Snehal A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000328650000032, title = {Functional isoDNA aptamers: modified thrombin binding aptamers with a 2{\textquoteright}-5{\textquoteright}-linked sugarphosphate backbone (isoTBA)}, journal = {Chemical Communications}, volume = {50}, number = {5}, year = {2014}, month = {NOV}, pages = {605-607}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The regioisomeric 3{\textquoteright}-deoxy-2{\textquoteright}-5{\textquoteright}-linked thrombin binding DNA aptamers (isoTBAs) were chemically synthesized and their ability to form unimolecular anti-parallel G-quadruplexes in the presence of K+ ions was evaluated. These modified sequences retain the function of the native thrombin binding aptamer (TBA), exhibit better stability against exonuclease and are capable of slowing down the process of blood clotting.

}, issn = {1359-7345}, doi = {10.1039/c3cc47569g}, author = {Gunjal, Anita D. and Fernandes, Moneesha and Erande, Namrata D. and Rajamohanan, P. R. and Kumar, Vaijayanti A.} } @article { ISI:000339493400008, title = {General approach to N-heterocyclic carbenes with a fused tetracyclic core: ligands for suzuki-miyaura cross-coupling reaction}, journal = {European Journal of Organic Chemistry}, number = {21}, year = {2014}, month = {JUL}, pages = {4482-4486}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {C-C coupling, carbenes, Homogeneous catalysis, N ligands, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201402378}, author = {Sutar, Revannath L. and Kumar, Vinod and Shingare, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000342798000081, title = {Genome-wide identification and tissue-specific expression analysis of UDP-glycosyltransferases genes confirm their abundance in cicer arietinum (chickpea) genome}, journal = {Plos One}, volume = {9}, number = {10}, year = {2014}, month = {OCT}, pages = {e109715}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

UDP-glycosyltransferases (EC 2.4.1.x; UGTs) are enzymes coded by an important gene family of higher plants. They are involved in the modification of secondary metabolites, phytohormones, and xenobiotics by transfer of sugar moieties from an activated nucleotide molecule to a wide range of acceptors. This modification regulates various functions like detoxification of xenobiotics, hormone homeostasis, and biosynthesis of secondary metabolites. Here, we describe the identification of 96 UGT genes in Cicer arietinum (CaUGT) and report their tissue-specific differential expression based on publically available RNA-seq and expressed sequence tag data. This analysis has established medium to high expression of 84 CaUGTs and low expression of 12 CaUGTs. We identified several closely related orthologs of CaUGTs in other genomes and compared their exon-intron arrangement. An attempt was made to assign functional specificity to chickpea UGTs by comparing substrate binding sites with experimentally determined specificity. These findings will assist in precise selection of candidate genes for various applications and understanding functional genomics of chickpea.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0109715}, author = {Sharma, Ranu and Rawat, Vimal and Suresh, C. G.} } @article { ISI:000330775500021, title = {Gold(I)-catalysed [1,3] O -> C rearrangement of allenyl ethers}, journal = {Chemical Communications}, volume = {50}, number = {17}, year = {2014}, month = {JAN}, pages = {2152-2154}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and rapid access to the alpha-substituted acryl aldehydes has been provided by developing a gold-catalysed [1,3] rearrangement of the allenyl ethers importantly with a record turnover frequency of 4600 h(-1) (at 0.05 mol\% of the catalyst concentration) in homogeneous gold(I) catalysis.

}, issn = {1359-7345}, doi = {10.1039/c3cc49629e}, author = {Kona, Chandrababu Naidu and Ramana, Chepuri V.} } @article { ISI:000344998100063, title = {Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst}, journal = {RSC Advances}, volume = {4}, number = {100}, year = {2014}, month = {OCT}, pages = {57087-57097}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Styrene (ST) is an industrially important commodity chemical, and design of a suitable catalyst, which provides high ethyl benzene (EB) conversion and styrene selectivity at Lower temperature with sustainable activity, is one of the major challenges in the field of heterogeneous catalysis. Manganese incorporated in titania (MnxT1-xO2) anatase Lattice, prepared via the solution combustion method, was evaluated for oxidative dehydrogenation (ODH) of EB with O-2 or air. MnxTi1-xO2 catalysts were characterized by different physiochemical methods. Up to 15\% Mn could be introduced into the TiO2 Lattice. TEM and XRD indicate disordered mesoporosity, further confirmed by adsorption isotherm analysis. MnxTi1-xO2 catalysts were evaluated for ST synthesis from EB using air or oxygen as oxidant between 440 and 570 degrees C. Reaction conditions have been varied systematically, such as catalyst composition, and EB/air/O-2 flow. MnxTi1-xO2 shows sustainable 55\% styrene yield for 45 h without deactivation under optimum conditions. A thorough analysis of spent catalysts demonstrates the conversion of initial anatase phase MnxTi1-xO2 to Mn3O4 supported on the rutile (R) phase of TiO2. The above change occurs in the first few hours of reaction and the Mn3O4 on R-TiO2 phase is the active phase of the catalyst and responsible for sustainable activity for Longer duration.

}, issn = {2046-2069}, doi = {10.1039/c4ra11814f}, author = {Negi, Sanjay Singh and Venugopalan, Aswathy Thareparambil and Raja, Thirumalaiswamy and Singh, Anand Pal and Gopinath, Chinnakonda S.} } @article { ISI:000338042500011, title = {Green synthesis of polysaccharide stabilized gold nanoparticles: chemo catalytic and room temperature operable vapor sensing application}, journal = {RSC Advances}, volume = {4}, number = {46}, year = {2014}, month = {MAY}, pages = {24014-24019}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c4ra02972k}, author = {Tagad, Chandrakant K. and Rajdeo, Kishor S. and Kulkarni, Atul and More, Pooja and Aiyer, Rohini C. and Sabharwal, Sushma G.} } @article { ISI:000345826600002, title = {Heterogeneous foldamers from aliphatic-aromatic amino acid building blocks: current trends and future prospects}, journal = {European Journal of Organic Chemistry}, volume = {46}, number = {35}, year = {2014}, month = {DEC}, pages = {7763-7780}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Chemists{\textquoteright} constant pursuit of understanding of the underlying principles of nature{\textquoteright}s most intricate phenomenon such as protein folding has led to the development of the field of foldamers. The emergence of diverse classes of unnatural amino acid building blocks has unleashed countless opportunities to design, develop and explore the structural and functional aspects of synthetic peptides. One current trend in foldamer chemistry is the heterofoldamer approach, which involves systematic stoichiometric variation of various natural/unnatural amino acid residues, leading to conformational ordering with intriguing structural architectures. In this regard, the incorporation of aromatic amino acids provides efficient structural rigidification and tunability to the molecular scaffolds, which can exhibit a range of secondary structural features. Recent times have witnessed an upsurge of foldamers featuring aliphatic-aromatic residues with diverse structural propensities. This review is an effort to cover this rapidly developing field of foldamer science and also to envisage its future perspectives.

}, keywords = {Amino acids, Conformation analysis, Foldamers, hydrogen bonding, Peptides, Stacking interactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201402877}, author = {Nair, Roshna V. and Vijayadas, Kuruppanthara N. and Roy, Arup and Sanjayan, Gangadhar J.} } @article { ISI:000331675300001, title = {Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation}, journal = {Coordination Chemistry Reviews}, volume = {262}, year = {2014}, month = {MAR}, pages = {1-15}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

This review aims to illustrate recent advances in the application of hybrid diphosphorus ligands for the Rh catalysed hydroformylation of alkenes, discussing the most prevalent classes of hybrid systems, i.e. phosphine-phosphinite, phosphine-phosphonite, phosphine-phosphite, phosphite-phosphoramidite and phosphite-phosphoramidite and comparing their performance with relevant C-2 symmetric counterparts. In order to introduce the field and put the results in context, a short overview on Rh hydroformylation is provided. Available spectroscopic (in situ) data on the coordination modes of hybrid phosphorus ligands and the catalytic performance of these systems in asymmetric hydroformylation of vinyl arenes are reported. Potential avenues for future research are shortly discussed. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Asymmetric hydroformylation, Catalyst resting state, Hybrid ligand design, In situ spectroscopy, Rhodium}, issn = {0010-8545}, doi = {10.1016/j.ccr.2013.10.024}, author = {Chikkali, Samir H. and van der Vlugt, Jarl Ivar and Reek, Joost N. H.} } @article { ISI:000344635200043, title = {I-2-catalyzed regioselective Oxo- and hydroxy-acyloxylation of alkenes and enol ethers: a facile access to alpha-acyloxyketones, esters, and diol derivatives}, journal = {Organic Letters}, volume = {16}, number = {21}, year = {2014}, month = {NOV}, pages = {5674-5677}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

I-2-catalyzed oxo-acyloxylation of alkenes and enol ethers with carboxylic acids providing for the high yield synthesis of a-acyloxyketones and esters is described. This unprecedented regioselective oxidative process employs TBHP and Et3N in stoichiometric amounts under metal-free conditions in DMSO as solvent. Additionally, I-2-catalysis allows the direct hydroxy-acyloxylation of alkenes with the sequential addition of BH3 center dot SMe2 leading to monoprotected diol derivatives in excellent yields.

}, issn = {1523-7060}, doi = {10.1021/ol5027393}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Sudalai, Arumugam} } @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:000339470100014, title = {Improved method for specificity annotation shows a distinct evolutionary divergence among the microbial enzymes of the cholylglycine hydrolase family}, journal = {Microbiology-SGM}, volume = {160}, number = {6}, year = {2014}, month = {JUN}, pages = {1162-1174}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

Bile salt hydrolases (BSHs) are gut microbial enzymes that play a significant role in the bile acid modification pathway. Penicillin V acylases (PVAs) are enzymes produced by environmental microbes, having a possible role in pathogenesis or scavenging of phenolic compounds in their microbial habitats. The correct annotation of such physiologically and industrially important enzymes is thus vital. The current methods relying solely on sequence homology do not always provide accurate annotations for these two members of the cholylglycine hydrolase (CGH) family as BSH/PVA enzymes. Here, we present an improved method [binding site similarity (BSS)-based scoring system] for the correct annotation of the CGH family members as BSH/PVA enzymes, which along with the phylogenetic information incorporates the substrate specificity as well as the binding site information. The BSS scoring system was developed through the analysis of the binding sites and binding modes of the available BSH/PVA structures with substrates glycocholic acid and penicillin V. The 198 sequences in the dataset were then annotated accurately using BSS scores as BSH/PVA enzymes. The dataset presented contained sequences from Gram-positive bacteria, Gram-negative bacteria and archaea. The clustering obtained for the dataset using the method described above showed a clear distinction in annotation of Gram-positive bacteria and Gram-negative bacteria Based on this clustering and a detailed analysis of the sequences of the CGH family in the dataset, we could infer that the CGH genes might have evolved in accordance with the hypothesis stating the evolution of diderms and archaea from the monoderms.

}, issn = {1350-0872}, doi = {10.1099/mic.0.077586-0}, author = {Panigrahi, Priyabrata and Sule, Manas and Sharma, Ranu and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000337645600001, title = {In the sense of transcription regulation by G-quadruplexes: asymmetric effects in sense and antisense strands}, journal = {Biochemistry}, volume = {53}, number = {23}, year = {2014}, month = {JUN}, pages = {3711-3718}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

G-Quadruplexes occupy important regulatory regions in the genome. DNA G-quadruplexes in the promoter regions and RNA quadruplexes in the UTRs (untranslated regions) have been individually studied and variously implicated at different regulatory levels of gene expression. However, the formation of G-quadruplexes in the sense and antisense strands and their corresponding roles in gene regulation have not been studied in much detail. In the present study, we have elucidated the effect of strand asymmetry in this context. Using biophysical methods, we have demonstrated the formation of stable G-quadruplex structure in vitro using CD and UV melting. Additionally, ITC was employed to demonstrate that a previously reported selective G-quadruplex ligand was able to bind and stabilize the G-quadruplex in the present sequence. Further, we have shown using reporter constructs that although the DNA G-quadruplex in either strand can reduce translation efficiency, transcriptional regulation differs when G-quadruplex is present in the sense or antisense strand. We demonstrate that the G-quadruplex motif in the antisense strand substantially inhibits transcription, while when in the sense strand, it does not affect transcription, although it does ultimately reduce translation. Further, it is also shown that the G-quadruplex stabilizing ligand can enhance this asymmetric transcription regulation as a result of the increased stabilization of the G-quadruplex.

}, issn = {0006-2960}, doi = {10.1021/bi401451q}, author = {Agarwal, Tani and Roy, Saumya and Kumar, Santosh and Chakraborty, Tushar Kanti and Maiti, Souvik} } @article { ISI:000340353100013, title = {In1-XGaXN@ZnO: a rationally designed and quantum dot integrated material for water splitting and solar harvesting applications}, journal = {Dalton Transactions}, volume = {43}, number = {33}, year = {2014}, month = {SEP}, pages = {12546-12554}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The highly desirable combination of the visible light absorption properties of In1-xGaxN Quantum dots (QD) along with the multifunctionality of ZnO into a single integrated material was prepared for solar harvesting. This is the first report on InGaN QD integrated with ZnO (InGaN@ZnO), synthesized by a highly reproducible, simple combustion method in 15 min. Structural, microstructural and electronic integration of the nitride and oxide components of InGaN@ZnO was demonstrated by appropriate characterization methods. Self-assembly of InGaN QD is induced in growing nascent zinc oxo nanoclusters taking advantage of the common wurtzite structure and nitrogen incorporation at the expense of oxygen vacancies. Direct integration brings about a single phase structure exhibiting extensive visible tight absorption and high photostability. InGaN@ZnO suggests synergistic operation of tight harvesting and charge conducting components for solar H-2 generation without using any co-catalyst or sacrificial agent, and a promising photocurrent generation at 0 V under visible light illumination. The present study suggests a direct integration of QD with the host matrix and is a potential method to realize the advantages of QDs.

}, issn = {1477-9226}, doi = {10.1039/c4dt01268b}, author = {Rajaambal, Sivaraman and Mapa, Maitri and Gopinath, Chinnakonda S.} } @article { ISI:000343715000091, title = {Influence of method of preparation on the activity of La-Ni-Ce mixed oxide catalysts for dry reforming of methane}, journal = {RSC Advances}, volume = {4}, number = {91}, year = {2014}, month = {OCT}, pages = {50226-50232}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

La-Ni-x-Ce1-x mixed oxide catalysts were prepared by a sol-gel method varying the Ni composition (0 \<= x \<= 1). The catalysts were characterized by X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), BET surface area, X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction (TPR), H-2 chemisorption and Fourier transform infrared spectroscopy (FT-IR) techniques. CO2 reforming of methane was carried out at atmospheric pressure and 800 degrees C, maintaining a reactant CO2/CH4/N-2 ratio of 80/80/80 (total flow rate = 240 ml min(-1), GHSV of 28 800 h(-1)). The catalysts offered higher activity even at lower Ni compositions. LaNi0.4Ce0.6O3. showed the highest conversion of CH4 and CO2. The H-2/CO ratio in the syngas was stable at 0.85 +/- 0.02. The performance of the sol-gel catalysts was compared with that of the hydrothermally prepared catalysts, reported earlier. High surface area and better Ni dispersion were found to be the reasons for superior activity of the sol-gel catalysts.

}, issn = {2046-2069}, doi = {10.1039/c4ra07098d}, author = {Sagar, T. V. and Sreelatha, N. and Hanmant, G. and Surendar, M. and Lingaiah, N. and Rao, K. S. Rama and Satyanarayana, C. V. V. and Reddy, I. A. K. and Prasad, P. S. Sai} } @article { ISI:000344339700002, title = {Interactions of a low molecular weight inhibitor from streptomyces sp. MBR04 with human cathepsin D: implications in mechanism of inactivation}, journal = {Applied Biochemistry and Biotechnology}, volume = {174}, number = {5}, year = {2014}, month = {NOV}, pages = {1705-1723}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Cathepsin D, a lysosomal aspartic protease, is of potential interest as a target for drug design due to its implication in breast and ovarian cancer. The article reports a low molecular weight cathepsin D inhibitor from Streptomyces sp. MBR04. The M-r of the inhibitor was 1,078 Da as determined by MALDI-TOF, and the amino acid analysis showed the presence of Asp, Asp, Gly, Ala, Lys, Leu, Tyr, Trp residues. The steady-state kinetic interactions revealed reversible, competitive, slow-tight-binding nature of the inhibitor with an IC50 and K (i) values of 3.2 and 2.5 nM, respectively. The binding of the inhibitor with the enzyme and the subsequent conformational changes were monitored by exploiting the intrinsic fluorescence of the surface exposed Trp-54 residue. Based on the fluorescence and circular dichroism studies, we demonstrate that the inhibitor binds to the active site of cathepsin D and causes inactivation. All these kinetic, thermodynamic, and quenching studies suggest that the newly isolated peptidic inhibitor could be a potential scaffold to study and can be used to develop new potent therapeutic lead molecule for the development of drugs. The inhibitor will be significant as a potential lead molecule to target cathepsin D.

}, keywords = {Cancer treatment, Cathepsin D inhibitor, Inactivation mechanism, Slow-tight-binding inhibition, Streptomyces sp MBR04}, issn = {0273-2289}, doi = {10.1007/s12010-014-1009-9}, author = {Menon, Vishnu and Rao, Mala} } @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 {43391, title = {Isohexide-diacetal based polymers and a process thereof}, number = {PCT/IN2014/000318}, year = {2014}, month = {NOV}, abstract = {

The present invention discloses isohexide based compounds and their polymers which are derived from renewable resources and are potentially degradable. Also disclosed herein is the synthesis of isohexide based monomers and their polymers from renewable resources which are potentially degradable. Further, the present invention disclose a process for the synthesis of isohexide based copolymers via copolymerization of isohexide based monomers and long chain diols, which are degradable. (FR)Cette invention concerne des compos{\'e}s {\`a} base d{\textquoteright}isohexide et leurs polym{\`e}res qui sont d{\'e}riv{\'e}s de ressources renouvelables et sont potentiellement d{\'e}gradables. Cette invention concerne {\'e}galement la synth{\`e}se de monom{\`e}res {\`a} base d{\textquoteright}isohexide et leurs polym{\`e}res {\`a} partir de ressources renouvelables qui sont potentiellement d{\'e}gradables. Un proc{\'e}d{\'e} de synth{\`e}se de copolym{\`e}res {\`a} base d{\textquoteright}isohexide par copolym{\'e}risation desdits monom{\`e}res {\`a} base d{\textquoteright}isohexide et de diols {\`a} cha{\^\i}ne longue, qui sont d{\'e}gradables, est en outre d{\'e}crit.

}, author = {Chikkali, Samir H. and Rajput, Bhausaheb S.} } @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:000336107400002, title = {Living plant-mediated synthesis of different shaped gold nanoparticles}, journal = {Nanoscience and Nanotechnology Letters}, volume = {6}, number = {4}, year = {2014}, month = {APR}, pages = {279-283}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

We demonstrate extracellular green synthesis of gold nanoparticles with different shapes and sizes by using live Prosopis juliflora L. seedling. The conversion of ionic to metallic gold nanoparticles by P. juliflora seedling was carried out in short period. The formed nanoparticles were characterized by UV, TEM, Diffraction and EDS. TEM shows well dispersed particles of different shapes and sizes. The percentage of different shapes of nanoparticles was calculated, most of the particles were spherical in shape (75\%). The triangle nanoparticles were 10\%, followed by squares (8\%), hexagonal (5\%) and rods (2\%). The diffraction shows the formed nanoparticles are crystalline in nature and EDS confirms the formed nanoparticles are of gold. This shows P. juliflora seedling can synthesis different shapes of well dispersed nanoparticles.

}, keywords = {Gold, Nanoparticles, Prosopis juliflora, Shapes, synthesis, TEM}, issn = {1941-4900}, doi = {10.1166/nnl.2014.1756}, author = {Raju, D. and Paneliya, Nikita and Mehta, Urmil J.} } @article { ISI:000329479500021, title = {Magnetism in disordered carbon as a function of the extent of graphitization}, journal = {Solid State Communications}, volume = {177}, year = {2014}, month = {JAN}, pages = {89-94}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Magnetic properties of disordered carbon have been investigated as a function of the extent of graphitization. It is found that the magnetization of the disordered carbon decreases with increasing degree of graphitization. Treatment with acid modifies the magnetic characteristics considerably and the original magnetic characteristics are retained upon further heat treatment. The results show that the intrinsic magnetic behavior of the disordered carbon depends on the microstructure and that the edge states play a critical role in deciding the magnetic interactions in the amorphous carbon system. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Amorphous carbon, disordered carbon, Graphitization, magnetic properties}, issn = {0038-1098}, doi = {10.1016/j.ssc.2013.09.037}, author = {Raj, K. Govind and Joy, Pattayil Alias} } @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:000344791100009, title = {Metallic few-layer flowerlike VS2 nanosheets as field emitters}, journal = {European Journal of Inorganic Chemistry}, number = {31}, year = {2014}, month = {NOV}, pages = {5331-5336}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report first-principles DFT calculations of the single-layer VS2 work function, the experimental synthesis of flower-like few-layer-thick VS2 nanosheets by a simple one-step hydrothermal method, and the investigation of their field emission properties. The turn-on field required to draw emission current densities of 1 and 10 mu A/cm(2) were 4 and 5.01 V/mu m, respectively. The observed turn-on field values are attributed to the high field enhancement factor (ca. 2500), which is due to presence of sharp protrusions in the VS2 nanosheets. Furthermore, the field-emission current stability of the VS2 emitter shows stable behavior over a period of 12 h. Further, DFT calculations show that the work function (f) of the single-layer VS2 emitter is 6.01 eV.

}, keywords = {Density functional calculations, field emission, Layered compounds, Nanostructures, Sulfur, Vanadium}, issn = {1434-1948}, doi = {10.1002/ejic.201402448}, author = {Rout, Chandra Sekhar and Khare, Ruchita T. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Lanzillo, Nicholas A. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000334984000005, title = {Methane reforming with carbon dioxide over La-Ni-x-Ce1-x mixed oxide catalysts}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {53}, number = {4-5, SI}, year = {2014}, month = {FEB}, pages = {478-483}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

La-Ni-x-Ce1-x mixed oxide (0 \<= x \<= 1) catalysts have been hydrothermally prepared, characterized by physico-chemical techniques and evaluated for CO2 reforming of methane. High conversions are achieved for both methane and carbon dioxide over the LaNi0.6Ce0.4O3 catalyst tested under the conditions of CO2/CH4/N-2 ratio of 80/80/80. (total flow rate = 240 mL/min), space velocity of 28,800 h(-1) and at a temperature of 800 degrees C. The H-2/CO ratio in the syngas is stable at 0.93 +/- 0.02. Exchanging Ni with Ce, rather than with La as reported in the literature, appears to be a better option for the improved performance of the catalysts.

}, keywords = {Carbon dioxide reforming, Catalysts, Cerium, Dry reforming, Hydrothermal synthesis, Lanthanum, Methane reforming, Mixed oxides, Nickel}, issn = {0376-4710}, author = {Sagar, T. V. and Sreelatha, N. and Hanmant, G. and Upendar, K. and Lingaiah, N. and Rao, Kamaraju Seetha Rama and Satyanarayana, C. V. V. and Reddy, I. A. K. and Prasad, P. S. Sai} } @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:000339628400017, title = {Model atomistic protrusions favouring the ordering and retention of water}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {30}, year = {2014}, month = {JUN}, pages = {15856-15865}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The ordering of water molecules near model linear atomistic protrusions is studied using classical molecular dynamics simulations. The protrusions are made up of Lennard-Jones particles of hydrophobic and hydrophilic blocks. Simulations are performed at a range of temperatures and pressures, keeping the position of the protrusions fixed. At different temperatures and pressures, the ordering and residence time of water molecules is enhanced on the surface of the hydrophilic block. Detailed analysis of the systems shows that the surface region is potentially the most energetically favorable for water molecules, which is consistent with the tetrahedral ordering of water molecules. A competition between energetics and structuring is observed from residence time calculations.

}, issn = {1463-9076}, doi = {10.1039/c4cp00094c}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000338283000052, title = {Molecular cloning and characterization of genistein 4{\textquoteright}-O-glucoside specific glycosyltransferase from Bacopa monniera}, journal = {Molecular Biology Reports}, volume = {41}, number = {7}, year = {2014}, month = {JUL}, pages = {4675-4688}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Health related benefits of isoflavones such as genistein are well known. Glycosylation of genistein yields different glycosides like genistein 7-O-glycoside (genistin) and genistein 4{\textquoteright}-O-glycoside (sophoricoside). This is the first report on isolation, cloning and functional characterization of a glycosyltransferase specific for genistein 4{\textquoteright}-O-glucoside from Bacopa monniera, an important Indian medicinal herb. The glycosyltransferase from B. monniera (UGT74W1) showed 49 \% identity at amino acid level with the glycosyltransferases from Lycium barbarum. The UGT74W1 sequence contained all the conserved motifs present in plant glycosyltransferases. UGT74W1 was cloned in pET-30b (+) expression vector and transformed into E. coli. The molecular mass of over expressed protein was found to be around 52 kDa. Functional characterization of the enzyme was performed using different substrates. Product analysis was done using LC-MS and HPLC, which confirmed its specificity for genistein 4{\textquoteright}-O-glucoside. Immuno-localization studies of the UGT74W1 showed its localization in the vascular bundle. Spatio-temporal expression studies under normal and stressed conditions were also performed. The control B. monniera plant showed maximum expression of UGT74W1 in leaves followed by roots and stem. Salicylic acid treatment causes almost tenfold increase in UGT74W1 expression in roots, while leaves and stem showed decrease in expression. Since salicylic acid is generated at the time of injury or wound caused by pathogens, this increase in UGT74W1 expression under salicylic acid stress might point towards its role in defense mechanism.

}, keywords = {Bacopa monniera, Expression analysis, Glycosyltransferase, Immuno-localization, Plant secondary product glycosyltransferase motif}, issn = {0301-4851}, doi = {10.1007/s11033-014-3338-8}, author = {Ruby and Kumar, R. J. Santosh and Vishwakarma, Rishi K. and Singh, Somesh and Khan, Bashir Mohammad} } @article { ISI:000332059600003, title = {Morphological effects of G-quadruplex stabilization using a small molecule in zebrafish}, journal = {Biochemistry}, volume = {53}, number = {7}, year = {2014}, month = {FEB}, pages = {1117-1124}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Zebrafish (Danio rerio) embryos are transparent and advantageous for studying early developmental changes due to ex utero development, making them an appropriate model for studying gene expression changes as a result of molecular targeting. Zebrafish embryos were injected with a previously reported G-quadruplex selective ligand, and the phenotypic changes were recorded. We report marked discrepancies in the development of intersegmental vessels. In silico analysis determined that the putative G-quadruplex motif occur in the upstream promoter region of the Cdh5 (N-cadherin) gene. A real-time polymerase chain reaction-based investigation indicated that in zebrafish, CDH-2 (ZN-cad) was significantly downregulated in the ligand-treated embryos. Biophysical characterization of the interaction of the ligand with the G-quadruplex motif found in this promoter yielded strong binding and stabilization of the G-quadruplex with this ligand. Hence, we report for the first time the phenotypic impact of G-quadruplex targeting with a ligand in a vertebrate organism. This study has unveiled not only G-quadruplex targeting in non-human animal species but also the potential that G-quadruplexes can provide a ready tool for understanding the phenotypic effects of targeting certain important genes involved in differentiation and developmental processes in a living eukaryotic organism.

}, issn = {0006-2960}, doi = {10.1021/bi4009352}, author = {Agarwal, Tani and Lalwani, Mukesh Kumar and Kumar, Santosh and Roy, Saumya and Chakraborty, Tushar Kanti and Sivasubbu, Sridhar and Maiti, Souvik} } @article { ISI:000209665200041, title = {MoS2 nanoparticles and h-BN nanosheets from direct exfoliation of bulk powder: one-step synthesis method}, journal = {Materials Research Express}, volume = {1}, number = {3}, year = {2014}, month = {SEP}, pages = {035038}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

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

}, keywords = {h-BN, MoS2, Nanoparticles, nanosheets, Optical properties}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/3/035038}, author = {Thripuranthaka, M. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI: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:000346643600072, title = {Negative infrared photocurrent response in layered WS2/reduced graphene oxide hybrids}, journal = {Applied Physics Letters}, volume = {105}, number = {24}, year = {2014}, month = {DEC}, pages = {243502}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We report high performance IR photocurrent response of two-dimensional hybrid materials consisting of layered WS2 nanosheets and reduced graphene oxide (RGO). Comparative photocurrent response studies of WS2 nanosheets, RGO, and WS2/RGO hybrids were carried out by performing current-voltage (I-V) and time-dependent current measurements with a laser excitation source having a wavelength of 808 nm. The experimental investigations indicate that WS2/RGO hybrids show negative photocurrent response, whereas WS2 and RGO show positive photocurrent response. The negative photocurrent response of the WS2/RGO hybrids is explained using a band alignment diagram and attributed to a charge transfer mechanism between WS2 and RGO. This analysis is further corroborated by first-principles density functional calculations. The fabricated device based on WS2/RGO hybrids shows a photosensitivity R-lambda of about 6 AW(-1) and a quantum efficiency eta of similar to 924\%, which demonstrates high sensitivity of the hybrid material towards IR detection. WS2/RGO hybrids are therefore promising candidates for potential applications in optoelectronic circuits and low cost, high performance, and reliable photodetectors. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4903780}, author = {Ratha, Satyajit and Simbeck, Adam J. and Late, Dattatray J. and Nayak, Saroj K. and Rout, Chandra Sekhar} } @article { ISI:000340768000019, title = {New approach of blending polymeric ionic liquid with polybenzimidazole (PBI) for enhancing physical and electrochemical properties}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {35}, year = {2014}, month = {JUN}, pages = {14449-14458}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although the use of ionic liquids (IL) in polymeric membranes is known to elevate the electrochemical performance for proton exchange membrane-based fuel cells (PEMFC), they suffer from drawbacks such as IL drain and lowering in mechanical properties that lead to deterioration in PEMFC performance. To mitigate these issues, we report, for the first time, the use of polymeric ionic liquid (PIL), namely, poly(diallyl dimethyl ammonium trifluoride methane sulphonate) (P[DADMA][TFMS]) to be blended with polybenzimidazole (PBI-I) as a membrane material for PEMFC. PBI-I and (P[DADMA][TFMS]) were chosen because they form miscible blends and are suitable for acid doping as a matrix, which can eventually be used as proton conductor. The structure, miscibility and inter-polymer interactions were studied by infrared (IR) spectroscopy and differential scanning calorimetry (DSC). The increase in proton conduction in comparison to the PBI membranes was observed due to the presence of ionic groups of PILs in blend membranes. With the increase in PIL content, the proton conductivity of the composite membranes gradually increased from 0.04 S cm(-1) for PBI to 0.07 S cm(-1) for the blend membrane at 150 degrees C. The MEAs were fabricated with PBI-I, PBI-PIL15, PBI-PIL25 and PBI-PIL35. Corresponding single cells were successfully tested at temperatures of 160 degrees C. The maximum power density and current density obtained were 515 mW cm(-2) and 1632 mA cm(-2), respectively, for PBI-PIL25-based MEA.

}, issn = {2050-7488}, doi = {10.1039/c4ta02184c}, author = {Rewar, Anita S. and Chaudhari, Harshal D. and Illathvalappil, Rajith and Sreekumar, K. and Kharul, Ulhas K.} } @article { ISI:000338109600007, title = {New enantioselective synthesis of the anti-parkinson agent safinamide}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {13}, year = {2014}, month = {JUL}, pages = {1751-1756}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An alternative highly enantioselective synthesis of the anti-Parkinson agent safinamide from simple, commercially available, starting materials is described. The protocol might also be useful in the synthesis of structural variants of safinamide, such as ralfinamide or related analogues

}, keywords = {Amides, medicinal chemistry, safinamide, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1341104}, author = {Reddi, Anjaneyulu and Mujahid, Mohammad and Sasikumar, Murugesan and Muthukrishnan, Murugan} } @article { ISI:000340513400023, title = {Novel fluorescence probe for estimation of cysteine/histidine in human blood plasma and recognition of endogenous cysteine in live Hct116 cells}, journal = {Chemical Communications}, volume = {50}, number = {69}, year = {2014}, month = {SEP}, pages = {9899-9902}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc04214j}, author = {Reddy, Upendar G. and Agarwalla, Hridesh and Taye, Nandaraj and Ghorai, Suvankar and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000337637100018, title = {NOx reduction at near ambient temperatures and under lean-burn conditions on modified pd surfaces}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {531-537}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {heterogeneous catalysis, nitrogen, oxygen, Palladium, surface chemistry}, issn = {1867-3880}, doi = {10.1002/cctc.201301033}, author = {Roy, Kanak and Gopinath, Chinnakonda S.} } @article { ISI:000341513700006, title = {Nucleophilic ring-opening of benzoxazinones by dbu: some observations}, journal = {Synthetic Communications}, volume = {44}, number = {20}, year = {2014}, month = {AUG}, pages = {2955-2960}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

This communication demonstrates the formation of an unusual nucleophilic ring opening of benzoxazinones by 1,8-diazabicycloundec-7-ene (DBU). This observation contradicts the intrinsic feature of a hindered nonnucleophilic base like DBU. Confirmation of the product was achieved via single-crystal X-ray diffraction studies.

}, keywords = {Benzoxazinones, caprolactam, DBU, HATU}, issn = {0039-7911}, doi = {10.1080/00397911.2014.910529}, author = {Baravkar, Sachin B. and Roy, Arup and Gawade, Rupesh L. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000341017700012, title = {Optimization of the anti-cancer activity of the phosphatidylinositol-3 kinase pathway inhibitor PITENIN-1: switching thiourea with 1,2,3-triazole}, journal = {Medchemcomm}, volume = {5}, number = {9}, year = {2014}, month = {SEP}, pages = {1359-1363}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2040-2503}, doi = {10.1039/c4md00109e}, author = {Kommagalla, Yadagiri and Cornea, Sinziana and Riehle, Robert and Torchilin, Vladimir and Degterev, Alexei and Ramana, Chepuri V.} } @article { ISI:000327845900029, title = {Orthorhombic/cubic Cd2SnO4 nanojunctions: enhancing solar water splitting efficiency by the suppression of charge recombination}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {2}, year = {2014}, month = {NOV}, pages = {492-499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The low practical efficiency of binary metal oxide semiconductor-based photo-electrochemical (PEC) water splitting has prompted researchers to examine ternary and quaternary oxides, which provide more leverage for engineering the desired PEC properties via stoichiometry (valence) and phase control. One ternary system of interest in this context is cadmium tin oxide (Cd2SnO4), which supports the cubic and orthorhombic phases with optical, electronic and catalytic properties that are favourable for PEC water splitting. However, its practical PEC performance is limited by high surface recombination of the photogenerated charge carriers. In this work we circumvent this problem by engineering the constitution of Cd2SnO4 nanoparticles to a biphasic nanojunction form, comprising of a nanocomposite of cubic and orthorhombic phases. The favourable conduction band alignment between the cubic and orthorhombic phases leads to a dramatic reduction in the recombination of the photogenerated charges, leading to a 10-fold increase (from 250 mu A cm(2) to over 2 mA cm(2)) in the photocurrent vis-a-vis the single cubic or orthorhombic phase performance. We discuss the underlying mechanism for the observed dramatic enhancement in the water splitting efficiency.

}, issn = {2050-7488}, doi = {10.1039/c3ta13851h}, author = {Deshpande, Aparna and Kelkar, Sarika A. and Rayalu, Sadhana and Ogale, Satishchandra} } @article { ISI:000328434500029, title = {Photopolymerization kinetics of bis-aromatic based urethane acrylate macromonomers in the presence of reactive diluent}, journal = {Progress in Organic Coatings}, volume = {77}, number = {1}, year = {2014}, month = {JAN}, pages = {225-231}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The present work deals with the photopolymerization of bis-aromatic based urethane acrylate macromonomers in the presence of excess end capping agent as reactive diluent and estimation of their kinetic parameters. Formulations were made by independently homogenizing the macromonomers with photoinitiators of three different classes. Three 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 photo DSC under polychromatic radiation. The heat flows against time were recorded for all formulations under isothermal condition and the rates of polymerization, peak maximum times as well as the percentage conversions were estimated. It was observed that due to a longer timescale for reaction diffusion, formulations with macromonomer containing propoxylated backbone showed higher conversions than the corresponding ethoxylated analogue. The photopolymerization and kinetic estimations of the formulations including evaluation of kinetic model are discussed. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Bimolecular termination model, kinetics, Macromonomer, Photopolymerization}, issn = {0300-9440}, doi = {10.1016/j.porgcoat.2013.09.006}, author = {Harikrishna, Reghunathan and Ponrathnam, S. and Rajan, C. R.} } @article { ISI:000340517700011, title = {Photopolymerization kinetics of block polyether based terminal urethane methacrylate with/without cross-linker}, journal = {Advances in Polymer Technology}, volume = {33}, number = {3}, year = {2014}, month = {FEB}, pages = {21418}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The present work deals with the photopolymerization of difunctional macromonomer with a polyether chain and urethane methacrylate terminations. Macromonomeric formulations were prepared by mixing macromonomer with two different concentrations of photoinitiator. Formulations were also prepared by the addition of 10 wt\% of soft-segmented difunctional cross-linker to the abovementioned macromonomic formulations. All formulations were then subjected to photopolymerization studies and the effects of light intensity on the photopolymerization kinetics were studied at two different isothermal conditions using photo differential scanning calorimetry (Photo DSC) with polychromatic radiation. The isothermal heat flow against time was recorded for all formulations and the kinetic parameters were noted. It was observed that the rate of maximum polymerization as well as peak maximum time showed a general trend. However, the ultimate conversion as well as the conversion at maximum rate did not show any trend due to diffusional restrictions imparted by the increase in viscosity with conversion. The photopolymerization of the formulations and curing kinetics including evaluation of autocatalytic model are discussed. (C) 2014 Wiley Periodicals, Inc.

}, keywords = {kinetics, Macromonomers, Modeling, Photo DSC, Photopolymerization}, issn = {0730-6679}, doi = {10.1002/adv.21418}, author = {Reghunathan, Harikrishna} } @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: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:000332485000048, title = {Probing the folding induction ability of orthanilic acid in peptides: some observations}, journal = {RSC Advances}, volume = {4}, number = {25}, year = {2014}, month = {JAN}, pages = {13018-13025}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This paper describes the ability of orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant) to promote folding when introduced in a peptide sequence. Three peptide sequences, containing orthanilic acid (SAnt) with a sulfonamide moiety in the turn segment, have been synthesized in the solution phase using suitable coupling agents, and their structural aspects investigated using NMR and X-ray crystallographic studies. Solid- and solution-state conformational analyses reveal that the peptide sequences containing orthanilic acid in their backbone exist in a folded conformation featuring long-range 15-membered ring H-bonding.

}, issn = {2046-2069}, doi = {10.1039/c3ra47039c}, author = {Roy, Arup and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000336464400074, title = {Protein mediated synthesis of Au-Ag bimetallic nanoparticles}, journal = {Materials Letters}, volume = {124}, year = {2014}, month = {JUN}, pages = {271-274}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

There is growing need to develop environment friendly method for synthesis of bimetallic nanoparticle that do not use toxic chemicals during their synthesis process. Here, we report synthesis of Au-Ag bimetallic nanoparticles by using macerase enzyme as reducing agent at different temperatures. Bimetallic nanoparticles were synthesized at 80 and 90 degrees C. The intensity of formation of nanoparticles was more at 80 degrees C. The bimetallic nanoparticles are characterized by using UV-vis, TEM and EDAX. The TEM study shows the inner gold and outer silver bimetallic nanoparticles. The formed nanoparticles are 4-20 nm in size and spherical in shape. EDAX confirms the formed bimetallic nanoparticles are of gold and silver. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Enzyme, Gold, Macerase, Particles, Silver, synthesis}, issn = {0167-577X}, doi = {10.1016/j.matlet.2014.03.087}, author = {Raju, D. and Mendapara, Ritul and Mehta, Urmil J.} } @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 { 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:000345843700030, title = {Pt States in BaCe0.98Pt0.02O3-delta during start up and shut down operations under different conditions: stability and activity of ionic Pt in water gas shift reaction}, journal = {Catalysis Letters}, volume = {144}, number = {12}, year = {2014}, month = {DEC}, pages = {2227-2232}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Stability of Pt species in doped BaCeO3 perovskites under Water gas shift reaction conditions is studied using X-ray absorption spectroscopy and in situ powder X-ray diffraction. The catalyst BaCe0.98Pt0.02O3-delta has Pt in +2 oxidation state and is found to be stable in the ionic form under reaction conditions as well as under various highly reducing shut down and start up conditions. In-situ XRD under Water Gas shift reaction conditions also reveals the Pt ions to be highly stabilized in lattice and no egress is observed.

}, keywords = {BaCeO3, Deactivation, platinum, WGS reaction, XPS}, issn = {1011-372X}, doi = {10.1007/s10562-014-1378-2}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000343750700045, title = {Pyrene based conjugated materials: synthesis, characterization and electroluminescent properties}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {42}, year = {2014}, month = {NOV}, pages = {23320-23328}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this work, three novel pyrene cored small conjugated molecules, namely 1,3,6,8-tetrakis(6-(octyloxy)naphthalene-2-yl) pyrene (PY-1), 1,3,6,8-tetrakis((E)-2-(6-(n-octyloxy) naphthalene-2-yl) vinyl) pyrene (PY-2) and 1,3,6,8-tetrakis((6-(n-octyloxy) naphthalene-2-yl) ethynyl) pyrene (PY-3) have been synthesized by Suzuki, heck and Sonogashira organometallic coupling reactions, respectively. The effects of single, double and triple bonds on their optical, electrochemical, and thermal properties are studied in detail. These all materials are fluorescent and they have been used in organic light-emitting diodes (OLEDs) and their electroluminescent properties have been studied.

}, issn = {1463-9076}, doi = {10.1039/c4cp03693j}, author = {Salunke, Jagadish K. and Sonar, Prashant and Wong, F. L. and Roy, V. A. L. and Lee, C. S. and Wadgaonkar, Prakash P.} } @article { ISI:000339628400010, title = {Quantitative evaluation of the ability of ionic liquids to offset the cold-induced unfolding of proteins}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {30}, year = {2014}, month = {JUN}, pages = {15806-15810}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Significant non-reversible two-state denaturation was observed for proteins such as myoglobin (Mb) and alpha-chymotrypsin (CT) with decreasing temperature in the presence of 1-butyl-3-methylimidazolium-based ([C(4)mim]X-+(-)) ionic liquids (ILs) with various anions (X-). Interestingly, for the first time, ILs having acetate and bromide anions were proven to counteract the cold-induced unfolding of proteins.

}, issn = {1463-9076}, doi = {10.1039/c4cp01001a}, author = {Kumar, Awanish and Rani, Anjeeta and Venkatesu, Pannuru and Kumar, Anil} } @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:000344439400007, title = {Regioselective acylation of 2-methoxy naphthalene catalyzed by supported 12-phosphotungstic acid}, journal = {Applied Catalysis A-General}, volume = {486}, year = {2014}, month = {SEP}, pages = {55-61}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

12-Phosphotungstic acid supported on silica gel, zirconium sulfate, and a combination of silica gel and zirconium sulfate (50\% w/w) were employed as solid acid catalysts for regioselective acylation of 2-methoxynaphtalene with acetic anhydride. 1-(6-Methoxynaphthalen-2-yl)ethanone (2,6-AMN), a commercially important intermediate for production of Naproxen, was obtained with excellent selectivity (\>98\%) at 67-68\% conversion using 12-phosphotungstic acid supported on silica gel 20\% (w/w) in refluxing tetrachloroethane. The unreacted starting material can be easily separated from the product by a simple crystallization from nonane. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Acylation, Naproxen, Phosphotungstic acid, Silica gel, Supported, Zirconium sulfate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.08.026}, author = {Kumaraguru, Thenkrishnan and Devi, Ayala Vedamayee and Siddaiah, Vidavalur and Rajdeo, Kishor and Fadnavis, Nitin W.} } @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 { ISI:000347498500067, title = {Resistance to ionic pt insertion in oxygen excess LaMnO3 perovskite lattices and its effect in water gas shift reaction}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {395}, year = {2014}, month = {DEC}, pages = {534-542}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt doped and impregnated LaMnO3 perovskites are synthesized at different temperatures and Pt and Mn states are compared in an attempt to get insight into extent of lattice incorporation of Pt in perovskite. Various characterization studies indicate that oxygen excess system like LaMnO3 presents substantial resistance to B site doping with Pt. This behavior is different from other oxygen deficient perovskites like LaCoO3 and LaFeO3 in which lattice incorporation stabilizes the active species against sintering. Water gas shift reaction was used as a probe reaction to understand the effect of this difference in the activity. In case of LaMnO3, failure in lattice substitution leads to sintering and deactivation at high synthesis temperatures (\>= 700 degrees C) in both impregnated and doped samples. In doped samples, however, a strong interaction of Pt species with a persistent amorphous phase prevents sintering at lower synthesis temperature thereby enhancing the activity when compared to impregnated sample. The study reveals a possible mechanism in which only Pt(0) species is active with perovskite playing a minimal role in this system due to the resistance to lattice incorporation. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Oxygen excess, Perovskites, Water gas shift reaction, XPS, XRD}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.08.042}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000342883100029, title = {Rhodococcus enclensis sp nov., a novel member of the genus rhodococcus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {8}, year = {2014}, month = {AUG}, pages = {2693-2699}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijs.0.061390-0}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI:000340427600012, title = {Role of cation-anion cooperation in the selective synthesis of glycidol from glycerol using DABCO-DMC ionic liquid as catalyst}, journal = {RSC Advances}, volume = {4}, number = {61}, year = {2014}, month = {JUL}, pages = {32127-32133}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transesterification of dimethyl carbonate with glycerol has been investigated using 1,4-diazabicyclo [2.2.2] octane (DABCO) based ionic liquid as a catalyst. DABCO reacted with dimethyl carbonate to form ionic liquid as the reaction progressed. Though the basicity of DABCO based ionic liquid was lower than that of DABCO, the catalytic activity and selectivity to glycidol was higher with DABCO based ionic liquid as a catalyst, indicating that basicity may not be the only criterion in deciding activity and selectivity of the reaction. The cooperative effect of the cation and anion of the ionic liquid is responsible for the observed results. The best results (97\% glycerol conversion with 83\% selectivity to glycidol and 17\% selectivity to glycerol carbonate) were obtained using DABCO based ionic liquid as a catalyst. A plausible mechanism involving the role of both the cation and anion of the ionic liquid has been proposed.

}, issn = {2046-2069}, doi = {10.1039/c4ra04290e}, author = {Munshi, Mudassir K. and Gade, Swapna M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000344330800015, title = {Role of nanointerfaces in Cu- and Cu plus Au-based near-ambient-temperature CO oxidation catalysts}, journal = {ChemCatChem}, volume = {6}, number = {11}, year = {2014}, month = {NOV}, pages = {3116-3124}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Disordered mesoporous Cu-doped ceria-zirconia (Cu0.1Ce0.85Zr0.05O2), and gold deposited (Au/Cu0.1Ce0.85Zr0.05O2) catalysts were synthesized and evaluated for CO oxidation. Onset of CO oxidation activity, and 50\% (100\%) CO2 formation occurs at room temperature (RT), and 77 (120)degrees C, respectively, with Cu0.1Ce0.85Zr0.05O2. A small amount of gold on Cu0.1Ce0.85Zr0.05O2 induces the sustainable oxidation catalysis around RT. Onset of copper reduction temperature decreases from 110 degrees C on Cu0.1Ce0.85Zr0.05O2 to 48 degrees C with Au/Cu0.1Ce0.85Zr0.05O2, highlighting the direct interaction between Cu and Au through a Cu-Au interface. Au particles with a (00 1) facet deposit on an oxygen-deficient site of (111) facet of CeO2-ZrO2. Any decrease in surface Cu-content with increasing Au-content further supports the Au-Cu-Ce/Zr interface interactions. Nanointerfaces of Au clusters on Cu next to oxygen-deficient sites of CeO2-ZrO2 facilitate all the elementary steps of the CO + O-2 reaction to occur in close proximity at ambient conditions.

}, keywords = {carbon monoxide, Gold, heterogeneous catalysis, Oxidation, redox}, issn = {1867-3880}, doi = {10.1002/cctc.201402581}, author = {Gnanakumar, Edwin S. and Naik, Jarpla Madhusudhan and Manikandan, Marimuthu and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article { ISI:000341619500016, title = {Role of oxygen vacancies in water gas shift reaction: activity study on BaCe0.98-xYxPt0.02O3-delta perovskites}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20867-20874}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Oxygen vacancies are suggested to play an important role in reactions like water gas shift where the redox mechanism is crucial. Pt-doped BaCeO3 perovskite, moderately active for water gas shift reaction, is selected for further understanding the role of oxygen vacancies, since perovskite lattice can tolerate and stabilize vacancies facilitating an accurate quantification. Vacancies are created in the system by systematic doping of increasing amounts of Y. Structure and activity studies reveal that the 6\% Y-substituted compound which has the most symmetric B site coordination environment exhibits the highest activity. Hence, it is not the extent of vacancies but their structural characteristics which are found to be decisive. Symmetric coordination around B ions facilitates water adsorption and dissociation by lowering the energy barriers due to the creation of an isotropic environment.

}, issn = {1932-7447}, doi = {10.1021/jp503922x}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000330953700014, title = {Roseovarius azorensis sp nov., isolated from seawater at espalamaca, azores}, journal = {Antonie van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {571-578}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A Gram-negative, motile, non-spore forming, rod shaped aerobic bacterium, designated strain SSW084(T), was isolated from a surface seawater sample collected at Espalamaca (38A degrees 33{\textquoteright}N; 28A degrees 39{\textquoteright}W), Azores. Growth was found to occur from 15 to 40 A degrees C (optimum 30 A degrees C), at pH 7.0-9.0 (optimum pH 7.0) and with 25-100 \% seawater or 0.5-7.0 \% NaCl in the presence of Mg2+ and Ca2+; no growth was found with NaCl alone. Colonies on seawater nutrient agar were observed to be punctiform, white, convex, circular, smooth, and translucent. Strain SSW084(T) did not grow on Zobell marine agar and tryptic soy agar even when seawater supplemented. The major respiratory quinone was found to be Q-10 and the G + C content was determined to be 61.9 mol\%. Phylogenetic analysis based on the 16S rRNA gene sequence indicated that strain SSW084(T) belongs to the genus Roseovarius and that its closest neighbours are Roseovarius tolerans EL-172(T), Roseovarius mucosus DFL-24(T) and Roseovarius lutimaris 112(T) with 95.7, 95.4 and 95.3 \% sequence similarity respectively. The remaining species of Roseovarius showed \< 95 \% similarity. The polar lipids of strain SSW084(T) were determined to be phosphatidylethanolamine, diphosphatidylglycerol, phosphatidylglycerol, phosphatidylcholine, an unidentified lipid and one unidentified aminolipid. The major fatty acids identified were identified as C-18:1 omega 7c (52.5 \%) and C-16:0 (13.8 \%). On the basis of phenotypic, molecular and chemotaxonomic characteristics, strain SSW084(T) is considered to represent a novel species of the genus Roseovarius, for which Roseovarius azorensis sp. nov is proposed. The type strain is SSW084(T) (=KCTC 32421(T) = MTCC 11812(T)).

}, keywords = {Espalamaca, Polyphasic taxonomy, Roseovarius azorensis sp nov, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-013-0109-9}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000337742600003, title = {Ru-catalyzed branched versus linear selective C3-alkylation of 2-aroylbenzofurans with acrylates via C-H activation}, journal = {Chemistry-A European Journal}, volume = {20}, number = {26}, year = {2014}, month = {JUN}, pages = {7884-7889}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The carbonyl-directed C3-H activation and alkylation of 2-aroylbenzo[b]furans with acrylates occurs selectively either in a linear or branched fashion, depending on the catalyst employed; [Ru(p-cymene)Cl-2](2) or Ru(PPh3)(3)Cl-2, respectively. Two alternate pathways-funded upon the differences in steric and electronic preferences of these two complexes-is proposed for the selectivity of linear versus branched products.

}, keywords = {acrylate, benzo[b]furan, branched-selective alkylation, C-H activation, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.201400401}, author = {Kommagalla, Yadagiri and Srinivas, Kolluru and Ramana, Chepuri V.} } @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: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:000341543200034, title = {Soft colloidal scaffolds capable of elastic recovery after large compressive strains}, journal = {Chemistry of Materials}, volume = {26}, number = {17}, year = {2014}, month = {SEP}, pages = {5161-5168}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {0897-4756}, doi = {10.1021/cm502643a}, author = {Rajamanickam, Raja and Kumar, Sushma and Kumar, Deepak and Ghosh, Shankar and Kim, Jong Chul and Tae, Giyoong and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000341544200034, title = {Sol-gel assisted fabrication of collagen hydrolysate composite scaffold: a novel therapeutic alternative to the traditional collagen scaffold}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {17}, year = {2014}, month = {SEP}, pages = {15015-15025}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Collagen is one of the most widely used biomaterial for various biomedical applications. In this Research Article, we present a novel approach of using collagen hydrolysate, smaller fragments of collagen, as an alternative to traditionally used collagen scaffold. Collagen hydrolysate composite scaffold (CHCS) was fabricated with sol-gel transition procedure using tetraethoxysilane as the silica precursor. CHCS exhibits porous morphology with pore sizes varying between 380 and 780 mu m. Incorporation of silica conferred CHCS with controlled biodegradation and better water uptake capacity. Notably, 3T3 fibroblast proliferation was seen to be significantly better under CHCS treatment when compared to treatment with collagen scaffold. Additionally, CHCS showed excellent antimicrobial activity against the wound pathogens Staphylococcus aureus, Bacillus subtilis, and Escherichia coli due to the inherited antimicrobial activity of collagen hydrolysate. In vivo wound healing experiments with full thickness excision wounds in rat model demonstrated that wounds treated with CHCS showed accelerated healing when compared to wounds treated with collagen scaffold. These findings indicate that the CHCS scaffold from collagen fragments would be an effective and affordable alternative to the traditionally used collagen structural biomaterials.

}, keywords = {collagen, collagen hydrolysate, scaffold, sol-gel, tissue engineering, wound Healing}, issn = {1944-8244}, doi = {10.1021/am502948g}, author = {Ramadass, Satiesh Kumar and Perumal, Sathiamurthi and Gopinath, Arun and Nisal, Anuya and Subramanian, Saravanan and Madhan, Balaraman} } @article { ISI:000331861300008, title = {Solid-state NMR investigations of a MgCl2 center dot 4(CH3)(2)CHCH2OH molecular adduct: a peculiar case of reversible equilibrium between two phases}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {7}, year = {2014}, month = {FEB}, pages = {1213-1219}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

MgCl2 center dot xROH molecular adducts are extensively employed as a support material for Ziegler-Natta polyolefin catalysis. However, their structural properties are not well understood. Recently, we reported on the preparation of an isobutanol adduct, MgCl2 center dot 4(CH3)(2)CHCH2OH (MgiBuOH) (Dalton Trans. 2012, 41, 11311), which is very sensitive to the preparation conditions, such as the temperature and refluxing time. For the present study, the structural properties of MgiBuOH adducts prepared under different conditions have been investigated thoroughly by solid-state NMR and nonambient XRD. Formation of two phases has been confirmed, and in situ variable temperature solid-state NMR measurements confirm the coexistence of two phases as well as the oscillation from one to another phase. It is expected that such molecular adducts could have a significant role in organic transformation reactions due to an oscillating structural component. An understanding of phase oscillation with the Mg2+ ion as the central metal ion might shed some light toward understanding various biological and structural functions.

}, issn = {1089-5639}, doi = {10.1021/jp412331s}, author = {Thushara, K. S. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Gopinath, Chinnakonda S.} } @article { ISI:000335559100055, title = {Solvothermal synthesis of mesoporous manganese oxide with enhanced catalytic activity for veratryl alcohol oxidation}, journal = {RSC Advances}, volume = {4}, number = {37}, year = {2014}, month = {APR}, pages = {19450-19455}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Catalyst activities of manganese and cobalt oxides prepared by solvothermal and co-precipitation methods were studied for veratryl alcohol oxidation. Manganese oxides showed higher activity performance than that of cobalt oxides irrespective of the method of preparation. The solvothermal method yielded mesoporous manganese oxide without using any template giving mixed phases of monoclinic Mn5O8 and hausmannite Mn3O4. The mesoporous manganese oxide exhibited excellent activity for liquid phase aerobic oxidation of veratryl alcohol under base free conditions, with 90\% conversion and almost complete selectivity towards veratraldehyde. The detailed characterization results on morphology, size and composition of the prepared mesoporous manganese oxide obtained by XRD, XPS, H-2-TPR, N-2 adsorption-desorption isotherms, FESEM and HR-TEM techniques were used to understand the role of morphological and structural features in enhancement of the observed catalytic activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra00184b}, author = {Jha, Ajay and Chandole, Tejansh and Pandya, Rajan and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article { ISI:000344244700034, title = {Specific probe for Hg2+ to delineate even H+ in pure aqueous buffer/Hct116 colon cancer cells: Hg(II)-eta(2)-arene pi-interaction and a TBET-based fluorescence response}, journal = {Chemical Communications}, volume = {50}, number = {92}, year = {2014}, month = {SEP}, pages = {14421-14424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c4cc06740a}, author = {Reddy, Upendar G. and Ramu, Vadde and Roy, Sovan and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article {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:000329266500032, title = {Structural investigations of porous MgCl2-2-butanol molecular adduct as support for olefin polymerization}, journal = {Applied Catalysis A-General}, volume = {469}, year = {2014}, month = {JAN}, pages = {267-274}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A new heterogeneous Ziegler-Natta (Z-N) catalyst support material, MgCl2 center dot 4(CH3CH(OH)CH2CH3) (Mg2BuOH) has been synthesized. 2-Butanol, a linear, secondary alcohol was chosen for the generation of an active MgCl2 support which results in a Z-N catalyst with TiCl4. Significant feature of this work is the formation of rod shaped molecular adduct with highly porous character. Adduct material is characterized by XRD, TG-DTA, Raman spectroscopy, solid-state NMR and SEM. Activity of the Z-N catalyst supported on Mg2BuOH for ethylene polymerization is comparable with that of commercially available heterogeneous Z-N catalyst. However, there is scope to improve the activity by optimizing textural properties. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {heterogeneous catalysis, MgCl2, Molecular adduct, NMR, Polyolefin, Ziegler-Natta catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.10.002}, author = {Thushara, K. S. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Gopinath, Chinnakonda S.} } @article {46378, title = {Structure of highly active BSH enzyme with subordinated post-translational excision}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C272}, type = {Meeting Abstract}, keywords = {Bile salt hydrolase, Mutagenesis, X-ray crystallography}, issn = {2053-2733}, author = {Chand, Deepak and Panigrahi, Priyabrata and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000332188100002, title = {Superior grafting and state-of-the-art interfacial electron transfer rates for newly designed geminal dicarboxylate bound ruthenium(II)- and osmium(II)-polypyridyl dyes on TiO2 nanosurface}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {3864-3877}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new Ru(II)-/Os(II)-polypyridyl based sensitizer dyes with geminal dicarboxylic acid group as the binding unit for superior grafting of the dye to TiO2 have been designed and synthesized. Steady-state photochemical studies of the two sensitizer dyes in presence of TiO2 in water confirm strong binding of the dyes to TiO2. Femtosecond transient absorption studies of these newly synthesized dyes on TiO2 nanosurface have been carried out in water and the results have been compared with those for the corresponding 4,4{\textquoteright}-dicarboxy-2,2{\textquoteright}-bipyridine analogues of the dyes. While the charge recombination rates are considerably slower, interestingly, the electron injection rates are very fast for multiple saturated C-C linkages present between the chromophoric core and the anchoring moiety. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This is the first report on the ultrafast transient absorption studies of dyes with geminal dicarboxylic acid binding groups, which we believe will add significantly to the present research efforts toward the development of robust and efficient dyes for use in dye solar applications.

}, issn = {1932-7447}, doi = {10.1021/jp4077917}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Reddy, Upendar G. and Sahu, Tuhin Subhra and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra Nath} } @article { ISI:000343613000075, title = {Supramolecular transitions in native cellulose-I during progressive oxidation reaction leading to quasi-spherical nanoparticles of 6-carboxycellulose}, journal = {Carbohydrate Polymers}, volume = {113}, year = {2014}, month = {NOV}, pages = {615-623}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Cellulose-I swells considerably in phosphoric acid, and converts to amorphous cellulose via a cellulose-II transition state. Controlled oxidation of cellulose-I to 6-carboxycellulose (6CC) using HNO3-H3PO4-NaNO2 oxidation system led to the selective production of 6CC{\textquoteright}s of varying carboxyl contents (1.7-22\%) as well as various shapes and sizes (macro-sized fibrils of several micron length and/or spherical nanoparticles of 25-35 nm), depending on the reaction conditions. 6CC{\textquoteright}s having less than 14\% carboxyl content were largely in cellulose-II form (WAXRD values in-between cellulose I and cellulose II), whereas at 14-22\% the 6CC{\textquoteright}s were largely amorphous; only trace crystallinity was observed at 19\% and 22\% carboxyl 6CC. Spherical nanoparticles retained a high degree of crystallinity having cellulose-I structure, whereas the macro-sized fibrils were largely converted to cellulose-II structure. Analysis by WAXRD as well as by CP-MAS C-13 NMR studies gave similar conclusions. Reduced molecular weight with progressive oxidation, including presence of oligomers, was also evident from an increase in the reducing-end carbon peak at similar to 92 ppm. For high oxidation levels (\>14\%) the NMR 92-96 ppm peaks disappeared on extracting with dilute alkali, due to soluble oligomers being removed. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxycellulose, cellulose, Nanoparticles, NMR, WAXRD}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.07.056}, author = {Sharma, Priyanka R. and Rajamohanan, Pattuparambil R. and Varma, Anjanikumar} } @article { ISI: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:000340017000020, title = {Sustainable polyacetals from isohexides}, journal = { Green Chemistry}, volume = {16}, number = {8}, year = {2014}, month = {AUG}, pages = {3810-3818}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A single step synthetic protocol to access a small family of renewable diacetals was established. The resultant chiral diacetals are valuable building blocks in pharmaceuticals and materials science. To demonstrate their synthetic competence, isohexide-diacetals (2a-c) were subjected to acetal metathesis polymerization and the corresponding polymers (poly2a-c) were isolated as white solids with molecular weights in the range 3200-27 600 (g mol(-1)). The semi-crystalline polymers displayed glass transition temperatures between 38-65 degrees C and melting temperatures in the range 103-156 degrees C. The isohexide derived polyacetats are stable under practical washing and rinsing conditions but degrade in slightly acidic media.

}, issn = {1463-9262}, doi = {10.1039/c4gc00543k}, author = {Rajput, B. S. and Gaikwad, S. R. and Menon, Shamal K. and Chikkali, Samir H.} } @article { ISI: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:000340525300012, title = {Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2014}, month = {AUG}, pages = {5247-5255}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

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

}, keywords = {Aldol reactions, asymmetric catalysis, lactones, reaction mechanisms}, issn = {1434-193X}, doi = {10.1002/ejoc.201402551}, author = {Kumar, Manjeet and Kumar, Arvind and Rizvi, Masood and Mane, Manoj and Vanka, Kumar and Taneja, Subhash C. and Shah, Bhahwal Ali} } @article { ISI:000340579200011, title = {Synthesis of fatty monoester lubricant base oil catalyzed by Fe-Zn double-metal cyanide complex}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {4}, year = {2014}, month = {JUL}, pages = {997-1003}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fatty monoester lubricant base oils as high as 96.7 mol\% were prepared by reacting methyl oleate with long-chain alcohols viz., 2-ethyl-1-hexanol (C-8-OH), 1-decanol (C10OH) and 1-dodecanol (C12OH) in the presence of a solid Fe-Zn double-metal cyanide (DMC) complex catalyst. Unlike many other acid catalysts, DMC doesn{\textquoteright}t produce undesired ether side products. The catalyst was reusable in four recycling experiments with little loss in catalytic activity and ester yield. The long-chain esters prepared in the study have the desired physical properties for their application as lubricant base oils.

}, keywords = {Fatty monoester, Fe-Zn double-metal cyanide (DMC) catalyst, lubricant base oil, transesterification}, issn = {0974-3626}, author = {Raut, Ravindra K. and Shaikh, Mehejabeen and Darbha, Srinivas} } @article {42442, title = {Synthesis of functionalized coumarins and quinolinones by NHC-catalyzed annulation of modified enals with heterocyclic C-H acids}, journal = {Journal of Organic Chemistry}, volume = {79}, year = {2014}, month = {APR}, pages = {4245{\textendash}4251}, abstract = {

N-Heterocyclic carbene (NHC) catalyzed lactonization and lactamization of 2-bromoenals with heterocyclic C{\textendash}H acids proceeding via the α,β-unsaturated acyl azolium intermediates is reported. The reaction furnished coumarin- or quinolinone-fused lactone/lactam derivatives. In addition, results of the enantioselective version of this reaction using chiral NHC are presented.

}, doi = {10.1021/jo500693h}, author = {Yetra, Santhivardhana Reddy and Roy, Tony and Bhunia, Anup and Porwal, Digvijay and Biju, Akkattu T.} } @article { ISI:000330816000048, title = {Synthesis of the central tricyclic core of the isatisine A: harmonious orchestration of [metal]-catalyzed reactions in a sequence}, journal = {Tetrahedron}, volume = {70}, number = {2}, year = {2014}, month = {JAN}, pages = {510-516}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Two sequential metal-catalyzed transformations, involving [In]-catalyzed Friedel Crafts type addition of spiroaminol carbon to indole C3 followed by [Rh]-catalyzed dehydrogenative cyclization of the resulting gamma-amino alcohol culminated in the construction of the central tricyclic core isatisine A. The overall strategy employed three easily available starting compounds and delivered the complex tricyclic core in four steps with all four steps being catalytic in nature. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Dehydrogenative cyclization, Friedel-Crafts reaction, Indium chloride, Isatisine A, Rhodium, Spiro-3-indolinone}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.11.026}, author = {Patel, Pitambar and Reddy, B. Narendraprasad and Ramana, C. V.} } @article { ISI:000331483800028, title = {Synthesis, structure, spectral, electrochemical and sensing properties of 3-amino boron-dipyrromethene and its derivatives}, journal = {Dyes and Pigments}, volume = {102}, year = {2014}, month = {MAR}, pages = {218-227}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

We report the synthesis of 3-amino boron-dipyrromethene (3-amino BODIPY) by treating 3-bromo boron-dipyrromethene (3-bromo BODIPY) initially with sodium azide in acetonitrile followed by tri-phenylphosphine(PPh3)/H2O in tetrahydrofuran in three steps under mild reaction conditions. In this reaction, 3-azido BODIPY which formed in the first step was not isolated but the 3-iminophosphorane BODIPY which formed in the second step was isolated and characterized crystallographically. The 3-amino BODIPY was characterized by various spectroscopic and X-ray analytical techniques. To test the reactivity of amine functionality on BODIPY core, we prepared 1-(meso-anisyl BODIPY)-3-phenyl urea/thiourea derivatives under simple reaction conditions. Our studies indicated that 1-(meso-anisyl BODIPY)-3-pheny thiourea can act as specific chemodosimetric sensor for Hg2+ ion and 1-(meso-anisyl BODIPY)-3-phenyl urea as colorimetric and ratiometric sensor for F- ion. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {3-Amino boron dipyrromethene, Chemodosimeter, F sensor, Fluorescent probes, Iminophosphorane BODIPY, Mercury(II) sensor}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2013.10.038}, author = {Ganapathi, Emandi and Madhu, Sheri and Chatterjee, Tamal and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article {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 { ISI:000334078500086, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets (vol 104, 081911, 2014)}, journal = {Applied Physics Letters}, volume = {104}, number = {12}, year = {2014}, month = {MAR}, pages = {129901}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0003-6951}, doi = {10.1063/1.4869463}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000332619100046, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets}, journal = {Applied Physics Letters}, volume = {104}, number = {8}, year = {2014}, month = {FEB}, pages = {081911}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {We have systematically investigated the temperature dependent Raman spectroscopy behavior of a few layered MoS2 and WS2 nanosheets synthesized using simple hydrothermal method. Our result reveals A(1g) and E-2g(1) modes soften as temperature increases from 77 K to 623 K. This behavior can be explained in terms of a double resonance process which is active in single-and few layer thick nanosheets. The frequency shifts and peak broadening can provide unambiguous, nondestructive, and accurate information of a few layered MoS2 and WS2. This mechanism can also be applicable in characterizing the structural, optical, electronic, and vibrational properties of other emerging layered materials. (c) 2014 AIP Publishing LLC.}, issn = {0003-6951}, doi = {10.1063/1.4866782}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000337521700009, title = {Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1592-1598}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report the temperature-dependent Raman spectra of single-and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2u)(2) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strainphonon coupling.

}, issn = {1439-4235}, doi = {10.1002/cphc.201400020}, author = {Late, Dattatray J. and Shirodkar, Sharmila N. and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000336844400011, title = {Total synthesis of an anticancer norsesquiterpene alkaloid isolated from the fungus flammulina velutipes}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {24}, year = {2014}, month = {APR}, pages = {4098-4103}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first total synthesis of a norsesquiterpene alkaloid (R)-8-hydroxy-4,7,7-trimethyl-7,8-dihydrocyclo-penta[e]isoindole-1,3(2 H,6H)-dione, isolated from the mushroom-forming fungus Flammulina velutipes, in both racemic and enantiomeric pure forms, is reported. The (-)-enantiomer of the natural product has been synthesized from the D-(-)-pantolactone chiral pool. The synthesis features a one-pot, three-step reaction sequence comprising an enyne RCM/Diels-Alder/aromatization to construct the desired indane skeleton present in the natural product. Our synthesis further confirms the assigned structure and absolute configuration of the natural product.

}, issn = {1477-0520}, doi = {10.1039/c4ob00300d}, author = {Kashinath, K. and Jadhav, Prakash D. and Reddy, D. Srinivasa} } @article { ISI:000346037500028, title = {Total synthesis of deoxy-solomonamide B by mimicking biogenesis}, journal = {Organic Letters}, volume = {16}, number = {23}, year = {2014}, month = {DEC}, pages = {6148-6151}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A total synthesis of Deoxy-solomonamide B was accomplished starting from tryptophan in an efficient manner by mimicking the proposed biogenetic route. The present synthesis utilizes a crotylation, oxidative cleavage of the indole moiety, and macrolactamization as key steps. The use of the indole nucleus as a masked anthranilic acid unit paves the way for the easy synthesis of related macrocycles and natural products where the ortho-acyl aniline moiety is embedded into them, which otherwise is difficult to synthesize.

}, issn = {1523-7060}, doi = {10.1021/ol503011g}, author = {Vasudevan, N. and Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000344204600027, title = {Total synthesis of mangiferaelactone}, journal = {Tetrahedron Letters}, volume = {55}, number = {45}, year = {2014}, month = {NOV}, pages = {6263-6265}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Herein we document the first total synthesis of mangiferaelactone and thus establish its absolute configuration. The central nonenolide ring was constructed using ring closing metathesis and Yamaguchi esterification. The key alcohol fragment was synthesized by the Bernet-Vasella fragmentation of C-ribofuranoside. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Bernet-Vasella fragmentation, Nonenolide, Ring closing metathesis, Total synthesis, Yamaguchi protocol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.084}, author = {Vadhadiya, Paresh M. and Ramana, C. V.} } @article { ISI:000340517200050, title = {Total synthesis of (+/-)-nardoaristolone B and its analogues}, journal = {Organic Letters}, volume = {16}, number = {16}, year = {2014}, month = {AUG}, pages = {4252-4255}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of nardoaristolone B, a nor-sesquiterpenoid with an unusual fused ring system and having protective effects on the injury of neonatal rat cardiomyocytes, has been accomplished. Stereoselective synthesis of its novel analogues inlcuding exo-cyclopropyl ring fusion is also part of this disclosure. In addition, an alternate and more efficient one-step method to make a 3/5/6 tricyclic ring system using the Robinson annulation method has been developed toward the generation of a library of compounds around this skeleton.

}, issn = {1523-7060}, doi = {10.1021/ol501949r}, author = {Handore, Kishor L. and Reddy, D. Srinivasa} } @article { ISI:000336191600002, title = {Total synthesis of naturally occurring cephalosporolides E/F}, journal = {Tetrahedron}, volume = {70}, number = {23}, year = {2014}, month = {JUN}, pages = {3653-3656}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A modular total synthesis of cephalosporolides E/F featuring sequential epoxide-alkyne coupling and subsequent highly regioselective gold catalyzed alkynolcycloisomerizatio of the resulting alkynetetrol to construct the central spiroketal core has been documented. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynetetrol, Cephalosporolide, Epoxide-alkyne coupling, Gold catalysis, Spiroketalization}, issn = {0040-4020}, doi = {10.1016/j.tet.2014.04.026}, author = {Kona, Chandrababu Naidu and Ramana, C. V.} } @article { ISI:000336248900015, title = {Total synthesis of the putative structure of xylarinol B}, journal = {Chemistry-An Asian Journal}, volume = {9}, number = {6}, year = {2014}, month = {JUN}, pages = {1557-1562}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The total synthesis of the putative structure of xylarinolB is described and the need to revise its structure is demonstrated. The central benzoxepine skeleton was constructed by employing a cobalt-mediated bimolecular [2+2+2] Reppe-Vollhardt alkyne cycloaddition reaction.

}, keywords = {Chiral pool, cobalt, Natural products, structure elucidation, Total synthesis}, issn = {1861-4728}, doi = {10.1002/asia.201301647}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000337074700019, title = {Towards a sustainable and near ambient DeNO(x) under lean burn conditions: a revisit to no reduction on virgin and modified pd(111) surfaces}, journal = {ACS Catalysis}, volume = {4}, number = {6}, year = {2014}, month = {JUN}, pages = {1801-1811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic conversion of NO in the presence of H-2 and O-2 has been studied on Pd(111) surfaces, by using a molecular beam instrument with mass spectrometry detection, as a function of temperature and reactants composition. N-2 and H2O are the major products observed, along with NH3 and N2O minor products under all conditions studied. Particular attention has been paid to the influence of O-2 addition toward NO dissociation. Although O-2-rich compositions were found to inhibit the deNO(x) activity of the Pd catalyst, some enhancement in NO reduction to N-2 was also observed up to a certain O-2 content. The reason for this behavior was determined to be the effective consumption of the H-2 in the mixture by the added O-2 and O atoms from NO dissociation. NO was proven to compete favorably against O-2 for the consumption of H-2, especially \<= 550 K, to produce N-2 and H2O. Compared with other elementary reaction steps, a slow decay observed with the 2H + 0 -\> H2O step under SS beam oscillation conditions demonstrates its contribution to the rate-limiting nature of the overall reaction. Pd(111) surfaces modified with O atoms in the subsurface (Md-Pd(111)) induces steady-state NO reduction at near-ambient temperatures (325 K) and opens up a possibility to achieve room temperature emission control. A 50\% increase in the reaction rates was observed at the reaction maximum on Md-Pd(111), as compared with virgin surfaces. Oxygen adsorption is severely limited below 400 K, and effective NO + H-2 reaction occurs on Md-Pd(111) surfaces. Valence band photoemission with a UV light source (He I) under different oxygen pressures with APPES clearly identified the characteristics of the Md-Pd(111) surfaces and PdO. The electron-deficient or cationic nature of Md-Pd(111) surfaces enhances the NO dissociation and inhibits oxygen chemisorption \<= 400 K under lean-burn conditions.

}, keywords = {deNO(x), heterogeneous catalysis, Hydrogen, lean burn, molecular beam, nitric oxide, Palladium, surface modification}, issn = {2155-5435}, doi = {10.1021/cs500342a}, author = {Roy, Kanak and Jain, Ruchi and Gopinath, Chinnakonda S.} } @article { ISI: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 { ISI:000342064100002, title = {Tryptophan environment and functional characterization of a kinetically stable serine protease containing a polyproline II fold}, journal = {Journal of Fluorescence}, volume = {24}, number = {5}, year = {2014}, month = {SEP}, pages = {1363-1370}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The single tryptophan residue from Nocardiopsis sp. serine protease (NprotI) was studied for its microenvironment using steady state and time-resolved fluorescence. The emission maximum was observed at 353 nm with excitation at 295 nm indicating tryptophan to be solvent exposed. Upon denaturation with 6 M guanidinum thiocyanate (GuSCN) the emission maxima was shifted to 360 nm. Solute quenching studies were performed with neutral (acrylamide) and ionic (I- and Cs+) quenchers to probe the exposure and accessibility of tryptophan residue of the protein. Maximum quenching was observed with acrylamide. In the native state, quenching was not observed with Cs+ indicating presence of only positively charged environment surrounding tryptophan. However; in denatured protein, quenching was observed with Cs+, indicating charge reorientation after denaturation. No quenching was observed with Cs+ even at pH 1.0 or 10.0; while at acidic pH, a higher rate of quenching was observed with KI. This indicated presence of more positive charge surrounding tryptophan at acidic pH. In time resolved fluorescence measurements, the fluorescence decay curves could be best fitted to monoexponential pattern with lifetimes of 5.13 ns for NprotI indicating one conformer of the trp. Chemical modification studies with phenyl glyoxal suggested presence of Arg near the active site of the enzyme. No inhibition was seen with soyabean trypsin and limabean inhibitors, while, CanPI uncompetitively inhibited NprotI. Various salts from Hofmeister series were shown to decrease the activity and PPII content of NprotI.

}, keywords = {Fluorescence quenching, Hofmeister series, Nocardiopsis, Serine protease, Tryptophan}, issn = {1053-0509}, doi = {10.1007/s10895-014-1445-5}, author = {Rohamare, Sonali B. and Gaikwad, Sushama M.} } @article { ISI:000342117600019, title = {Tuning the regioselectivity of gold-catalyzed internal nitroalkyne redox: a cycloisomerization and [3+2]-cycloaddition cascade for the construction of spiro-pseudoindoxyl skeleton}, journal = {Organic Letters}, volume = {16}, number = {18}, year = {2014}, month = {SEP}, pages = {4766-4769}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple domino process for the construction of the tricyclic core present in the spiro-pseudoindoxyl natural products has been developed. This involves two intramolecular events: the Au-catalyzed nitroalkyne redox leading to isatogen and its subsequent [3 + 2]-cycloaddition with a suitably positioned olefin. The option to modulate the size of the spiro-annulated ring, which is an important variable in this class of natural products, has been explored. Overall, this process molds a linear precursor into a tricyclic system with complete step, atom, and redox economy.

}, issn = {1523-7060}, doi = {10.1021/ol502213w}, author = {Kumar, Chepuri V. Suneel and Ramana, Chepuri V.} } @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:000334658000001, title = {UV photoelectron spectroscopy at near ambient pressures: mapping valence band electronic structure changes from Cu to CuO}, journal = {Analytical Chemistry}, volume = {86}, number = {8}, year = {2014}, month = {APR}, pages = {3683-3687}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Valence band (VB) changes and hence electronic structure evolution was directly observed with low kinetic energy (KE) electrons at near ambient pressure (NAP) conditions with He I photon source in a custom built laboratory ambient pressure photoelectron spectrometer (Lab-APPES). Polycrystalline Cu surfaces were gradually oxidized in O-2 to Cu2O, to a mixture of Cu2O + CuO, and finally to CuO between 300 and 625 K and at NAP. Typical VB features for Cu, Cu2O, and CuO were observed, and the results corroborate well with core level and Auger spectral changes. High mean free path associated with low KE electrons, very low or no inelastic scattering, and effective pumping and the design of electrostatic lens regime help to minimize the electron attenuation at NAP conditions. The present results extend the capabilities of the APPES tool to explore the in situ evolution of electronic structure of materials at NAP and high temperatures.

}, issn = {0003-2700}, doi = {10.1021/ac4041026}, author = {Roy, Kanak and Gopinath, Chinnakonda S.} } @article { ISI:000335773800005, title = {Vesicle structures from bolaamphiphilic biosurfactants: experimental and molecular dynamics simulation studies on the effect of unsaturation on sophorolipid self-assemblies}, journal = {Chemistry-A European Journal}, volume = {20}, number = {21}, year = {2014}, month = {MAY}, pages = {6246-6250}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The formation of giant-vesicle-like structures by self-assembling linolenic acid sophorolipid (LNSL) molecules is revealed. Sophorolipids belong to the class of bolaamphiphilic glycolipid biosurfactants. Interestingly, the number of double bonds present in the hydrophobic core of sophorolipids is seen to have a great influence on the type of self-assembled structures formed. Dye encapsulation results establish the presence of an aqueous compartment inside the LNSL vesicles. Molecular dynamics simulation (MD) studies suggest the existence of two possible conformations of LNSLs inside the self-assembled structures and that LNSL molecules arrange in layered structures.

}, keywords = {bolaamphiphiles, MD simulations, Self-assembly, sophorolipids, vesicles}, issn = {0947-6539}, doi = {10.1002/chem.201304719}, author = {Dhasaiyan, Prabhu and Pandey, Prithvi Raj and Visaveliya, Nikunjkumar and Roy, Sudip and Bhagavatula L. V. Prasad} } @article { ISI:000336844400010, title = {Zinc mediated allylations of chlorosilanes promoted by ultrasound: synthesis of novel constrained sila amino acids}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {24}, year = {2014}, month = {MAY}, pages = {4093-4097}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple, fast and efficient method for allylation and propargylation of chlorosilanes through zinc mediation and ultrasound promotion is reported. As a direct application of the resulting bis-allylsilanes, three novel, constrained sila amino acids are prepared for the first time. The design and synthesis of the constrained sila analogue of GABA (gamma-amino butyric acid) is a highlight of this work.

}, issn = {1477-0520}, doi = {10.1039/c4ob00294f}, author = {Ramesh, Remya and Reddy, D. Srinivasa} } @article { ISI:000348357400007, title = {Acid stability of the kinetically stable alkaline serine protease possessing polyproline II fold}, journal = {Protein Journal}, volume = {34}, number = {1}, year = {2015}, month = {FEB}, pages = {60-67}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The kinetically stable alkaline serine protease from Nocardiopsis sp.; NprotI, possessing polyproline II fold (PPII) was characterized for its pH stability using proteolytic assay, fluorescence and Circular Dichroism (CD) spectroscopy, and Differential Scanning Calorimetry (DSC). NprotI was found to be functionally stable when incubated at pH 1.0, even after 24 h, while after incubation at pH 10.0, drastic loss in the activity was observed. The enzyme showed enhanced activity after incubation at pH 1.0 and 3.0, at higher temperature (50-60 A degrees C). NprotI maintained the overall PPII fold in broad pH range as seen using far UV CD spectroscopy. The PPII fold of NprotI incubated at pH 1.0 remained fairly intact up to 70 A degrees C. Based on the isodichroic point and T-m values revealed by secondary structural transitions, different modes of thermal denaturation at pH 1.0, 5.0 and 10.0 were observed. DSC studies of NprotI incubated at acidic pH (pH 1.0-5.0) showed T-m values in the range of 74-76 A degrees C while significant decrease in T-m (63.8 A degrees C) was observed at pH 10.0. NprotI could be chemically denatured at pH 5.0 (stability pH) only with guanidine thiocynate. NprotI can be classified as type III protein among the three acid denatured states. Acid tolerant and thermostable NprotI can serve as a potential candidate for biotechnological applications.

}, keywords = {Acid stability, DSC, Kinetic stability, Polyproline fold, Protease, Thermal unfolding}, issn = {1572-3887}, doi = {10.1007/s10930-014-9597-3}, author = {Rohamare, Sonali and Javdekar, Vaishali and Dalal, Sayli A. and Nareddy, Pavan Kumar and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI: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 {43003, title = {Analysis of pantaprazole na monohydrate and sesquihydrate by powder x-ray diffraction (PXRD)}, journal = {Journal of Medicinal Chemistry and Drug Discovery}, year = {2015}, month = {JAN}, pages = {320 - 323}, abstract = {

Pantaprazole Na monohydrate and sesquihydrate were characterized by PXRD.significant difference in the diffraction patterns of Pantaprazole Na hydrates. The sesquihydrate contains all the diffraction peaks of monohydrate in addition to peaks.

}, author = {Mahajan, Devidas T. and Mohmad, Noor and Raut, D. M. and Gajbhiye, Jayant M.} } @article { ISI:000359850300008, title = {Antimicrobial activity of plant extracts against sexually transmitted pathogens}, journal = {Natural Product Research}, volume = {29}, number = {16}, year = {2015}, month = {AUG}, pages = {1562-1566}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Comprehensive management of sexually transmitted infections (STIs) using vaginal or rectal microbicide-based intervention is one of the strategies for prevention of HIV infection. Herbal products have been used for treating STIs traditionally. Herein, we present in vitro activity of 10 plant extracts and their 34 fractions against three sexually transmitted/reproductive tract pathogens - Neisseria gonorrhoeae, Haemophilus ducreyi and Candida albicans. The plant parts were selected; the extracts/fractions were prepared and screened by disc diffusion method. The minimum inhibitory and minimum cidal concentrations were determined. The qualitative phytochemical analysis of selected extracts/fractions showing activity was performed. Of the extracts/fractions tested, three inhibited C. albicans, ten inhibited N. gonorrhoeae and five inhibited H. ducreyi growth. Our study demonstrated that Terminalia paniculata Roth. extracts/fractions inhibited growth of all three organisms. The ethyl acetate fraction of Syzygium cumini Linn. and Bridelia retusa (L.) Spreng. extracts was found to inhibit N. gonorrhoeae at lowest concentrations.

}, keywords = {anti-STI activity, Candida albicans, fractions, Haemophilus ducreyi, microbicide, Neisseria gonorrhoeae, plant extracts}, issn = {1478-6419}, doi = {10.1080/14786419.2014.983919}, author = {Jadhav, Nutan and Kulkarni, Sangeeta and Mane, Arati and Kulkarni, Roshan and Palshetker, Aparna and Singh, Kamalinder and Joshi, Swati P. and Risbud, Arun and Kulkarni, Smita} } @article { ISI:000360398900018, title = {Asymmetric vinylogous michael reaction of cyclic enones with silyloxy furans}, journal = {Chemical Communications}, volume = {51}, number = {73}, year = {2015}, month = {JUL}, pages = {13941-13944}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The asymmetric vinylogous Michael reaction of cyclohexenone/medium and large cyclic enones with 2-silyloxyfuran is still a synthetic challenge. In this report, we have explored 1,4-conjugate addition of an enantioselective chiral, primary diamine catalyzed, 2-silyloxy furan to various cyclic enones and beta-substituted cyclic enones. The reaction provided syn-Michael adducts (cycloalkane connected gamma-butenolide) with good yields, diastereo and enantioselectivities. Furthermore, the synthetic potential of these syn-Michael adducts is demonstrated by 1,4-addition of nucleophiles on the butenolide substructure.

}, issn = {1359-7345}, doi = {10.1039/c5cc05617a}, author = {Jadhav, Amol P. and Rao, V. U. Bhaskara and Singh, Pradeep and Gonnade, Rajesh G. and Singh, Ravi P.} } @article { ISI:000348358000013, title = {Bacillus filamentosus sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, number = {2}, year = {2015}, month = {FEB}, pages = {433-441}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel Gram-stain positive, endospore-forming bacterium, designated SGD-14(T), was isolated from a marine sediment sample in Goa Province, India. Cells of the isolate were found to be strictly aerobic. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain SGD-14(T) showed a similarity of 99.5 \% with Bacillus endophyticus and similarities to other Bacillus type strains were below 96 \%. The whole-cell sugar pattern was found to consist of ribose, xylose and glucose. The predominant menaquinone was identified as MK-7 and the major fatty acids as anteiso-C-15:0, iso-C-15:0, iso-C-16:0, anteiso-C-17:0, C-16:0 and iso-C-14:0. The strain was found to grow optimally at 30 A degrees C and pH 7.0-7.5. DNA G + C content was determined to be 39.6 mol\%. The phospholipid pattern was found to consist of diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. DNA-DNA hybridization studies between strain SGD-14(T) and B. endophyticus CIP106778(T) showed that strain SGD-14(T) exhibited \< 70 \% similarity with B. endophyticus CIP106778(T). Differences in phenotypic and chemotaxonomic characteristics between the novel strain and B. endophyticus CIP106778(T) further confirmed that this isolate represents novel species. Phylogenetic analysis showed that strain SGD-14(T) fits in the same clade with B. endophyticus with 100 \% bootstrap values. Strain SGD-14(T) is therefore considered to represent a novel species of the genus Bacillus, for which the name Bacillus filamentosus sp. nov. is proposed. The type strain of Bacillus filamentosus is SGD-14(T) = (=NCIM 5491(T) = DSM 27955(T)).

}, keywords = {Bacillus, Filaments, Polyphasic, Sediment}, issn = {0003-6072}, doi = {10.1007/s10482-014-0341-y}, author = {Sonalkar, Vidya V. and Mawlankar, Rahul R. and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S. and Dastager, Syed Gulam} } @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 {45888, title = {Bioactive thermoresponsive polyblend nanofiber formulations for wound healing}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {48}, year = {2015}, month = {MAR }, pages = {126-137}, type = {Article}, abstract = {

The rationale of this work is to develop new bioactive thermoresponsive polyblend nanofiber formulations for wound healing (topical). Various polymer compositions of thermoresponsive, poly(N-isopropylacrylamide), egg albumen and poly(epsilon-caprolactone) blend solutions with and without a drug [gatifloxacin hydrochloride, Gati] were prepared. Non-woven nanofibers of various compositions were fabricated using an electrospinning technique. The morphology of the nanofibers was analyzed by an environmental scanning electron microscope. The morphology was influenced by the concentration of polymer, drug, and polymer blend composition. Fourier transform infrared spectroscopy analysis showed the shift in bands due to hydrogen ion interactions between polymers and drug. Thermogram of PNIPAM/PCL/EA with Gati recorded a shift in lower critical solution temperature (LCST) and glass transition temperature (T-g) of PNIPAM. Similarly T-g and melting temperature (T-m) of PCL were shifted. X-ray diffraction patterns recorded a decrease in the crystalline state of PCL nanofibers and transformed crystalline drug to an amorphous state. In vitro release study of nanofibers with Gati showed initial rapid release up to 10 h, followed by slow and controlled release for 696 h (29 days). Nanofiber mats with Gati exhibited antibacterial properties to Staphylococcus aureus, supported suitable controlled drug release with in vitro cell viability and in vivo wound healing. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Antibacterial, Cell viability, drug release, nanofibers, thermoresponsive, wound Healing}, issn = {0928-4931}, doi = {10.1016/j.msec.2014.11.037}, author = {Pawar, Mahesh D. and Rathna, G. V. N. and Agrawal, Shubhang and Kuchekar, Bhanudas S.} } @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:000360829900002, title = {Blends of shellac as nanofiber formulations for wound healing}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {30}, number = {5}, year = {2015}, month = {SEP}, pages = {472-489}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Shellac is being used in food, pharmaceutical, and agricultural industries. It is seldom used for biomedical applications due to its poor mechanical property and instability. We designed thermoresponsive shellac-based bioactive nanofiber mats that mimic extracellular matrix to extend their utility in wound healing. Various blend compositions of shellac, gelatin, and poly(N-isopropylacrylamide) enriched with a bioactive agent, nadifloxacin, were prepared and nanofiber mats were fabricated. The morphology of the nanofiber formation was influenced by the concentration of polymer, drug, and polymer blend composition. Polymer-drug interactions and thermal and crystalline properties of nanofiber mats were analyzed. The shellac/gelatin/poly(N-isopropylacrylamide) blend of composition 3\%/7\%/3\% (w/v) was chosen to evaluate in vitro drug release. Release studies recorded slow, constant, and sustained release for 140h. The release kinetics and mechanism confirmed zero-order release with resultant r(2) values greater than 0.99, and the Korsmeyer-Peppas release exponent (n) was slightly higher than 0.8, which indicated that drug diffusion was anomalous or non-Fickian type and drug release followed diffusion involving chain stretching. Indirect cytotoxicity studies recorded insignificant toxicity against normal human fibroblast cells. In vivo studies demonstrated that drug-loaded nanofiber mats were more suitable for faster tissue regeneration as compared to nanofiber mats without drug and commercial nadifloxacin cream.

}, keywords = {drug release and mechanism, nanofibers, Shellac, thermoresponsive, tissue regeneration}, issn = {0883-9115}, doi = {10.1177/0883911515585180}, author = {Vannuruswamy, Garikapati and Rathna, Gundloori Venkata Naga and Gadgil, Bhagyashri Shashikant Thorat and Gadad, Anand Panchakshari} } @article { ISI:000354004400014, title = {Breaking and making of olefins simultaneously using ozonolysis: application to the synthesis of useful building blocks and macrocyclic core of solomonamides}, journal = {Organic Letters}, volume = {17}, number = {9}, year = {2015}, month = {MAY}, pages = {2090-2093}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple and practical one-pot) two-directional approach to access olefinic esters through simultaneous breaking and making of olefins using ozonolysis of alkenyl aryl selenides is disclosed The scope of the method with a variety of example{\textquoteright}s is demonstrated, and the end products obtained here are useful building blocks. As a direct application of the present method,the macrocyclic cote of potent anti-inflammatory natural cyclic peptides, solomonamides, is synthesized.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00637}, author = {Kashinath, K. and Dhara, Santu and Reddy, D. Srinivasa} } @article { ISI:000366429100003, title = {Breaking and making of rings: a method for the preparation of 4-quinolone-3-carboxylic acid amides and the expensive drug ivacaftor}, journal = {European Journal of Organic Chemistry}, number = {34}, year = {2015}, month = {DEC}, pages = {7433-7437}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A simple and convenient method to access 4-quinolone-3-carboxylic acid amides from indole-3-acetic acid amides through one-pot oxidative cleavage of the indole ring followed by condensation (Witkop-Winterfeldt type oxidation) was explored. The scope of the method was confirmed with more than 20 examples and was successfully applied to the synthesis of the drug Ivacaftor, the most expensive drug on the market.

}, keywords = {Amides, Drug design, Fused-ring systems, Oxidation, Ozonolysis}, issn = {1434-193X}, doi = {10.1002/ejoc.201501048}, author = {Vasudevan, N. and Jachak, Gorakhnath R. and Reddy, D. Srinivasa} } @article { ISI:000367464000006, title = {c Squalene synthase gene from medicinal herb bacopa monniera: molecular characterization, differential expression, comparative modeling, and docking studies}, journal = {Plant Molecular Biology Reporter}, volume = {33}, number = {6}, year = {2015}, month = {DEC}, pages = {1675-1685}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

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

}, keywords = {Abiotic stress, Bacopa monniera, Comparative modeling and docking, Differential expression, Isoprenoid pathway, Squalene synthase}, issn = {0735-9640}, doi = {10.1007/s11105-015-0864-z}, author = {Vishwakarma, Rishi K. and Patel, Krunal and Sonawane, Prashant and Kumari, Uma and Singh, Somesh and Ruby and Shakeel Abbassi and Agrawal, Dinesh C. and Tsay, Hsin-Sheng and Khan, Bashir Mohammad} } @article { ISI:000349917900007, title = {Can we shift and/or broaden the catalysis regime towards ambient temperature?}, journal = {ChemCatChem}, volume = {7}, number = {4}, year = {2015}, month = {FEB}, pages = {588-594}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

An attempt was made to shift the temperature regime of oxidation catalysis towards ambient temperatures by employing surface modification (SM) as a handle. Systematic SM of Pd(111) was performed by O-atom diffusion into the subsurfaces. Virgin and modified Pd(111) catalysts were evaluated for CO oxidation. Typical CO poisoning observed on virgin surfaces was partially lifted, and ambient CO oxidation was observed on the modified surfaces. CO oxidation was followed by the molecular beam method and near-ambient pressure (NAP) photoelectron spectroscopy under different pressure regimes. UV valence band spectral analysis of the SM and the CO+O-2 reaction on modified Pd(111) surfaces under NAP conditions demonstrated changes in the electronic structures of the surfaces with a change in surface potential by 0.35eV and directly probed CO2 formation under the reaction conditions. Supported metal catalysts may be subjected to SM and evaluated for a shift in the catalysis regime for many different reactions.

}, keywords = {heterogeneous catalysis, Oxidation, photoelectron spectroscopy, surface chemistry, surface modification}, issn = {1867-3880}, doi = {10.1002/cctc.201402979}, author = {Gopinath, Chinnakonda S. and Roy, Kanak and Nagarajan, Sankaranarayanan} } @article { ISI:000363379900001, title = {Cell scale host-pathogen modeling: another branch in the evolution of constraint-based methods}, journal = {Frontiers in Microbiology}, volume = {6}, year = {2015}, month = {OCT}, pages = {Article Number: 1032}, publisher = {FRONTIERS MEDIA SA}, address = {PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND}, abstract = {

Constraint-based models have become popular methods for systems biology as they enable the integration of complex, disparate datasets in a biologically cohesive framework that also supports the description of biological processes in terms of basic physicochemical constraints and relationships. The scope, scale, and application of genome scale models have grown from single cell bacteria to multi cellular interaction modeling; host-pathogen modeling represents one of these examples at the current horizon of constraint-based methods. There are now a small number of examples of host-pathogen constraint-based models in the literature, however there has not yet been a definitive description of the methodology required for the functional integration of genome scale models in order to generate simulation capable host-pathogen models. Herein we outline a systematic procedure to produce functional host-pathogen models, highlighting steps which require debugging and iterative revisions in order to successfully build a functional model. The construction of such models will enable the exploration of host-pathogen interactions by leveraging the growing wealth of omic data in order to better understand mechanism of infection and identify novel therapeutic strategies.

}, keywords = {constraint-based model, flux balance analysis, host-pathogen, mathematical models, omics-technologies, optimization methods, salmonella typhimurium, tuberculosis}, issn = {1664-302X}, doi = {10.3389/fmicb.2015.01032}, author = {Jamshidi, Neema and Raghunathan, Anu} } @article { ISI:000348833400001, title = {Characterization of 10-hydroxygeraniol dehydrogenase from catharanthus roseus reveals cascaded enzymatic activity in iridoid biosynthesis}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {FEB}, pages = {Article Number: 8258}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

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

}, issn = {2045-2322}, doi = {10.1038/srep08258}, author = {Krithika, Ramakrishnan and Srivastava, Prabhakar Lal and Rani, Bajaj and Kolet, Swati P. and Chopade, Manojkumar and Soniya, Mantri and Thulasiram, Hirekodathakallu V.} } @article { ISI:000358250800001, title = {Chromerid genomes reveal the evolutionary path from photosynthetic algae to obligate intracellular parasites}, journal = {Elife}, volume = {4}, year = {2015}, month = {JUL}, pages = {Article Number: e06974}, publisher = {ELIFE SCIENCES PUBLICATIONS LTD}, address = {SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND}, abstract = {

The eukaryotic phylum Apicomplexa encompasses thousands of obligate intracellular parasites of humans and animals with immense socio-economic and health impacts. We sequenced nuclear genomes of Chromera velia and Vitrella brassicaformis, free-living non-parasitic photosynthetic algae closely related to apicomplexans. Proteins from key metabolic pathways and from the endomembrane trafficking systems associated with a free-living lifestyle have been progressively and non-randomly lost during adaptation to parasitism. The free-living ancestor contained a broad repertoire of genes many of which were repurposed for parasitic processes, such as extracellular proteins, components of a motility apparatus, and DNA-and RNA-binding protein families. Based on transcriptome analyses across 36 environmental conditions, Chromera orthologs of apicomplexan invasion-related motility genes were co-regulated with genes encoding the flagellar apparatus, supporting the functional contribution of flagella to the evolution of invasion machinery. This study provides insights into how obligate parasites with diverse life strategies arose from a once free-living phototrophic marine alga.

}, issn = {2050-084X}, doi = {10.7554/eLife.06974}, author = {Woo, Yong H. and Ansari, Hifzur and Otto, Thomas D. and Klinger, Christen M. and Kolisko, Martin and Michalek, Jan and Saxena, Alka and Shanmugam, Dhanasekaran and Tayyrov, Annageldi and Veluchamy, Alaguraj and Ali, Shahjahan and Bernal, Axel and del Campo, Javier and Cihlar, Jaromir and Flegontov, Pavel and Gornik, Sebastian G. and Hajduskova, Eva and Horak, Ales and Janouskovec, Jan and Katris, Nicholas J. and Mast, Fred D. and Miranda-Saavedra, Diego and Mourier, Tobias and Naeem, Raeece and Nair, Mridul and Panigrahi, Aswini K. and Rawlings, Neil D. and Padron-Regalado, Eriko and Ramaprasad, Abhinay and Samad, Nadira and Tomcala, Ales and Wilkes, Jon and Neafsey, Daniel E. and Doerig, Christian and Bowler, Chris and Keeling, Patrick J. and Roos, David S. and Dacks, Joel B. and Templeton, Thomas J. and Waller, Ross F. and Lukes, Julius and Obornik, Miroslav and Pain, Arnab} } @article { ISI:000364504500016, title = {Citreicella manganoxidans sp nov., a novel manganese oxidizing bacterium isolated from a shallow water hydrothermal vent in Espalamaca (Azores)}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {108}, number = {6}, year = {2015}, month = {DEC}, pages = {1433-1439}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A Gram-stain negative, non-motile, non-spore forming, aerobic and rod or narrow lemon-shaped bacterial strain, VSW210(T), was isolated from surface seawater in a shallow water hydrothermal vent region in Espalamaca (Azores). Strain VSW210(T) was found to grow optimally at 30 A degrees C, at pH 7 and in the presence of 2-6 \% (w/v) NaCl. A neighbour-joining phylogenetic tree based on 16S rRNA gene sequences revealed that strain VSW210(T) clusters with the type strain Citreicella marina CK-I3-6(T) (sequence similarity value of 99.6 \%), but DNA-DNA hybridization showed DNA-DNA relatedness between the strain VSW210(T) and C. marina CK-I3-6(T) to be 55.8 +/- A 3.2 \%. The DNA G+C content of strain VSW210(T) was determined to be 67.4 mol\%. The cellular fatty acid profiles of strain VSW210(T) was found to contain C-18:1 omega 7c (80.1 \%) and C-16:0 (9.2 \%). The major polar lipids in strain VSW210(T) were identified as phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, diphosphatidylglycerol and an unidentified phospholipid. Strain VSW210(T) was found to be able to oxidize soluble Mn(II) to insoluble MnO2, which was confirmed with LBB staining. Differential phenotypic properties and genetic uniqueness revealed that this strain VSW210(T) is distinguishable from other species of the genus Citreicella. On the basis of the data presented, strain VSW210(T) is considered to represent a novel species of the genus Citreicella, for which the name Citreicella manganoxidans sp. nov. is proposed. The type strain is VSW210(T) (=KCTC 32497(T) = MCC 2286(T)).

}, keywords = {Azores, Citreicella manganoxidans sp nov, Hydrothermal vent, Polyphasic taxonomy, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-015-0597-x}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Dastager, Syed Gulam and Liu, Qing and Li, Wen-Jun and Colaco, Ana} } @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:000356537400001, title = {Co3O4 nanorods-efficient non-noble metal electrocatalyst for oxygen evolution at neutral pH}, journal = {Electrocatalysis}, volume = {6}, number = {4}, year = {2015}, month = {JUL}, pages = {331-340}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {1868-2529}, doi = {10.1007/s12678-015-0263-0}, author = {Ramsundar, Rani M. and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Joy, Pattayil Alias} } @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:000357192200003, title = {Compact polar moieties induce lipid-water systems to form discontinuous reverse micellar phase}, journal = {Soft Matter}, volume = {11}, number = {27}, year = {2015}, month = {MAY}, pages = {5417-5424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The role of molecular interactions in governing lipid mesophase organization is of fundamental interest and has technological implications. Herein, we describe an unusual pathway for monoolein/water reorganization from a bicontinuous mesophase to a discontinuous reverse micellar assembly, directed by the inclusion of polar macromolecules. This pathway is very different from those reported earlier, wherein the Fd3m phase formed only upon addition of apolar oils. Experiments and molecular dynamics simulations indicate that hydrophilic ternary additives capable of inducing discontinuous phase formation must (i) interact strongly with the monoolein head group and (ii) have a compact molecular architecture. We present a detailed investigation that contrasts a monoolein-water system containing polyamidoamine (PAMAM) dendrons with one containing their linear analogs. The Fd3m phase forms only on the addition of PAMAM dendrons but not their linear analogs. Thus, the dendritic architecture of PAMAM plays an important role in determining lipid mesophase behavior. Both dendrons and their linear analogs interact strongly with monoolein through their amine groups. However, while linear polymers adsorb and spread on monoolein, dendrons form aggregates that interact with the lipid. Dendrons induce formation of an intermediate reverse hexagonal phase, which subsequently restructures into the Fd3m phase. Finally, we demonstrate that other additives with compact structures that are known to interact with monoolein, such as branched polyethylenimine and polyhedral silsesquioxane cages, also induce the formation of the Fd3m phase.

}, issn = {1744-683X}, doi = {10.1039/c5sm00854a}, author = {Kumar, Manoj and Patil, Naganath G. and Choudhury, Chandan Kumar and Roy, Sudip and Ambade, Ashootosh V. and Kumaraswamy, Guruswamy} } @article { ISI:000349943000006, title = {Computational study of metal free alcohol dehydrogenation employing frustrated lewis pairs}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {4}, year = {2015}, month = {FEB}, pages = {2081-2091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The catalysis of acceptorless alcohol dehydrogenation (AAD) is an important area of research. Transition metal-based systems are known to be effective catalysts for this reaction, but developing metal free catalytic systems would lead to highly desirable cheaper and greener alternatives. With this in mind, this computational study investigates design strategies than can lead to metal free frustrated Lewis pairs (FLPs) that can be employed for AAD catalysis. A careful study of 36 different proposed FLP candidates reveals that several new FLPs can be designed from existing, experimentally synthesized FLPs that can rival or be even better than state-of-the-art transition metal-based systems in catalyzing the alcohol dehydrogenation process.

}, issn = {0022-3263}, doi = {10.1021/jo5023052}, author = {Mane, Manoj V. and Rizvi, Masood A. and Vanka, Kumar} } @article { ISI:000349401300020, title = {Conformational modulation of peptides using beta-amino benzenesulfonic acid ((S)Ant)}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {7}, year = {2015}, month = {DEC}, pages = {2087-2091}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the utility of a conformationally restricted aromatic beta-amino acid (2-aminobenzenesulfonic acid, (S)Ant) inducing various folding interactions in short peptides. Sandwiching (S)Ant between diverse amino acid residues was shown to form robust folded architectures featuring a variety of H-bonded networks, suggesting its utility in inducing peptide folding.

}, issn = {1477-0520}, doi = {10.1039/c4ob02421d}, author = {Priya, Gowri and Kotmale, Amol S. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000361828000068, title = {Conversion of dried aspergillus candidus mycelia grown on waste whey to biodiesel by in situ acid transesterification}, journal = {Bioresource Technology}, volume = {197}, year = {2015}, month = {DEC}, pages = {502-507}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

This study reports optimization of the transesterification reaction step on dried biomass of an oleaginous fungus Aspergillus candidus grown on agro-dairy waste, whey. Acid catalyzed transesterification was performed and variables affecting esterification, viz., catalyst methanol and chloroform concentrations, temperature, time, and biomass were investigated. Statistical optimization of the transesterification reaction using Plackett-Burman Design showed biomass to be the predominant factor with a 12.5-fold increase in total FAME from 25.6 to 320 mg. Studies indicate that the transesterification efficiency in terms of conversion is favored by employing lower biomass loadings. A. candidus exhibited FAME profiles containing desirable saturated (30.2\%), monounsaturated (31.5\%) and polyunsaturated methyl esters (38.3\%). The predicted and experimentally determined biodiesel properties (density, kinematic viscosity, iodine value, cetane number, TAN, water content, total and free glycerol) were in accordance with international (ASTM D6751, EN 14214) and national (IS 15607) standards. (C) 2015 Published by Elsevier Ltd.

}, keywords = {Aspergillus candidus, Biodiesel, In situ acid transesterification, Plackett-Burman Design, Whey}, issn = {0960-8524}, doi = {10.1016/j.biortech.2015.07.118}, author = {Kakkad, Hardik and Khot, Mahesh and Smita S. Zinjarde and RaviKumar, Ameeta and Kumar, V. Ravi and Kulkarni, B. D.} } @article { ISI:000357907800052, title = {CRE for magic(modular, agile, intensified \& continuous) processes}, journal = {Chemical Engineering Journal}, volume = {278}, number = {SI}, year = {2015}, note = {23rd International Symposium on Chemical Reaction Engineering (ISCRE), Bangkok, THAILAND, SEP 07-10, 2014}, month = {OCT}, pages = {454-468}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Fine and specialty chemical industry caters to several key applications required for maintaining and enhancing quality of life. Most of these fine and specialty chemicals are still manufactured in stirred tank reactors operated in batch or semi-batch modes. A paradigm shift is necessary to transform these into new age, efficient and continuous processes and plants. In this paper, recent attempts of our group on developing MAGIC (modular, agile, intensified and continuous) devices, processes and plants for fine and specialty chemicals industry are discussed. The focus is on key chemical reaction engineering aspects of developing MAGIC processes. An attempt is made to evolve guidelines for designing MAGIC devices and reactors. The discussion will be useful to researchers as well as to industry practitioners. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Agile, Continuous, CRE, Intensified, Modular}, issn = {1385-8947}, doi = {10.1016/j.cej.2014.12.050}, author = {Ranade, Vivek V. and Sharma, Mrityunjay K. and Kulkarni, Amol A.} } @article { ISI:000356056000078, title = {Cross over from 3D variable range hopping to the 2D weak localization conduction mechanism in disordered carbon with the extent of graphitization}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {24}, year = {2015}, month = {MAY}, pages = {16178-16185}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The changes in the electrical transport properties and mechanism of conduction in disordered carbon, with the extent of graphitization, are studied and discussed. With heat treatment induced graphitic ordering, the electrical properties are considerably modified, inducing a crossover from strong localization to weak localization behavior. Accordingly, the conduction mechanism is modified from the 3-dimensional variable range hopping (3D VRH) model to the 2-dimensional weak localization (2D WL) model. Results show that carrier-carrier and carrier-phonon interactions play major roles in developing the weak localization behavior with the extent of graphitization.

}, issn = {1463-9076}, doi = {10.1039/c5cp00329f}, author = {Raj, Kovummal Govind and Joy, Pattayil Alias} } @article { ISI:000355762900032, title = {Cytostatic ruthenium(II)-platinum(II) bis(terpyridyl) anticancer complex that blocks entry into sphase by up-regulating p27(KIP1)}, journal = {Chemistry-A European Journal}, volume = {21}, number = {25}, year = {2015}, month = {JUN}, pages = {9185-9197}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Cytostatic agents that interfere with specific cellular components to prevent cancer cell growth offer an attractive alternative, or complement, to traditional cytotoxic chemotherapy. Here, we describe the synthesis and characterization of a new binuclear Ru-II-Pt-II complex [Ru(tpy)(tpypma)Pt(Cl)(DMSO)](3+) (tpy=2,2:6,2-terpyridine and tpypma=4-([2,2:6,2-terpyridine]-4-yl)-N-(pyridin-2-ylmethyl)aniline), VR54, which employs the extended terpyridine tpypma ligand to link the two metal centres. In cell-free conditions, VR54 binds DNA by non-intercalative reversible mechanisms (K-b=1.3x10(5)M(-1)) and does not irreversibly bind guanosine. Cellular studies reveal that VR54 suppresses proliferation of A2780 ovarian cancer cells with no cross-resistance in the A2780CIS cisplatin-resistant cell line. Through the preparation of mononuclear Ru-II and Pt-II structural derivatives it was determined that both metal centres are required for this anti-proliferative activity. In stark contrast to cisplatin, VR54 neither activates the DNA-damage response network nor induces significant levels of cell death. Instead, VR54 is cytostatic and inhibits cell proliferation by up-regulating the cyclin-dependent kinase inhibitor p27(KIP1) and inhibiting retinoblastoma protein phosphorylation, which blocks entry into Sphase and results in G1 cell cycle arrest. Thus, VR54 inhibits cancer cell growth by a gain of function at the G1 restriction point. This is the first metal-coordination compound to demonstrate such activity.

}, keywords = {antitumor agents, cytostatic, p27KIP1, platinum drugs, ruthenium terpyridine}, issn = {0947-6539}, doi = {10.1002/chem.201500561}, author = {Ramu, Vadde and Gill, Martin R. and Jarman, Paul J. and Turton, David and Thomas, Jim A. and Das, Amitava and Smythe, Carl} } @article { ISI:000347249500015, title = {Deinococcus enclensis sp nov., isolated from a marine sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, number = {1}, year = {2015}, month = {JAN}, pages = {141-148}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

}, keywords = {16S rRNA, Deinococcus, Marine sediments, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-014-0311-4}, author = {Thorat, Meghana N. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S. and Dastager, Syed Gulam} } @article { ISI:000364803200011, title = {Design and synthesis of a focused library of diamino triazines as potential mycobacterium tuberculosis DHFR inhibitors}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1140-1144}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report design of a series of 2,4-diamino triazines as Mycobacterium tuberculosis (Mtb) dihydrofolate reductase inhibitors. The synthesized compounds were evaluated against Mtb (H(37)Rv and Dormant stage H37Ra), their cytotoxicity was assessed (HepG2 and A549 cell lines), and selectivity toward Mtb was evaluated by testing against other bacterial strains. Some derivatives showed promising activity along with low cytotoxicity. The most potent compound in the whole cell assay (MIC 0.325 mu M against H(37)Rv) showed selectivity in the enzyme assay and exhibited synergy with second line anti-TB agent p-amino salicylic acid. This study therefore provides promising molecules for further development as antituberculosis DHFR inhibitors.

}, keywords = {Diamino triazine, dihydrofolate reductase, enzyme assay, molecular modeling, Mycobacterium tuberculosis, selectivity, synergy}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00367}, author = {Lele, Arundhati C. and Raju, Archana and Khambete, Mihir P. and Ray, M. K. and Rajan, M. G. R. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Degani, Mariam S.} } @article { ISI:000364803200005, title = {Design, synthesis, and identification of silicon incorporated oxazolidinone antibiotics with improved brain exposure}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1105-1110}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Therapeutic options for brain infections caused by pathogens with a reduced sensitivity to drugs are limited. Recent reports on the potential use of linezolid in treating brain infections prompted us to design novel compounds around this scaffold. Herein, we describe the design and synthesis of various oxazolidinone antibiotics with the incorporation of silicon. Our findings in preclinical species suggest that silicon incorporation is highly useful in improving brain exposures. Interestingly, three compounds from this series demonstrated up to a 30-fold higher brain/plasma ratio when compared to linezolid thereby indicating their therapeutic potential in brain associated disorders.

}, keywords = {Antibacterial, brain exposure, linezolid, oxazolidinone, sila analogue}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00213}, author = {Seetharamsingh, B. and Ramesh, Remya and Dange, Santoshkumar S. and Khairnar, Pankaj V. and Singhal, Smita and Upadhyay, Dilip and Veeraraghavan, Sridhar and Viswanadha, Srikant and Vakkalanka, Swaroop and Reddy, D. Srinivasa} } @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 {43022, title = {Effect of nutritional factors on growth and L-asparaginase production by three thermophilic coprophilous fungi}, journal = {Current Research in Microbiology Biotechnology}, volume = {3}, year = {2015}, month = {AUG}, pages = {707-712}, abstract = {

The present study aimed to investigate the effect of nutritional factors on L-asparaginase production by three thermophilic caprophilous fungi (Thielavia terrestris, Malbranchea cinnamomea and Scytalidium thermophilum) was assessed in YES medium by substituting starch and L-asparagine so as to supply equal amount of carbon and nitrogen sources respectively. D-glucose, starch, maltose and mannitol were best source for growth and L-asparaginase production by all three thermophilic caprophilous fungi under investigation. Similarly L-asparagine, L-arginine, L-tyrosine and L-histidine were good nitrogen sources for both growth and L-asparaginase production. Production of the variance of the data showed the significant difference (P\<0.05) among the three thermophilic caprophilous fungi with regards to carbon and nitrogen source.

}, author = {Ajmeera, Shanthi Priya and Rao, Vankudoth Koteswara and Sreelatha, B. and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @proceedings {43018, title = {Efficacy of food preservatives and volatile compounds in the control of ochratoxin a production by penicillium species}, volume = {85}, year = {2015}, month = {MAR}, abstract = {

In the present investigation different volatile compounds and food preservatives were tested for their efficiency in the control of growth and ochratoxin A (OTA) production by Penicillium verrucosum and Penicillium nordicum. Volatiles such as phenols and formic acid which have no residual effect were proved to be effective in checking the growth and OTA production by both the species of Penicillium under study. Vapours of phenols and formic acid significantly inhibited OTA produced by P. verrucosum, while aniline and toluene inhibited the OTA production by P. nordicum to a significant level. A positive correlation coefficient was observed between the growth and toxin production by P. verrucosum (0.55) and P. nordicum (0.66) against different volatile compounds tried. Among food preservatives, sodium acetate and sodium metabisulphate were responsible for total inhibition of OTA production by P. verrucosum at 150 lg/ml concentration. P. nordicum proved to be comparatively more resistant to these substances than P. verrucosum. In conclusion of present investigation, phenol, formic acid, amyl alcohol, propionic acid, sodium acetate and sodium metabisulphate were found to be effective in checking the growth and OTA production by both the species of Penicillium under investigation, and can be exploited in protecting the poultry feed from unwanted mould growth and mycotoxin production.

}, doi = {10.1007/s40011-015-0513-1}, author = {Vankudoth, Koteswara Rao and Rao, K. Narasimha and Sivadevuni, Girisham and Reddy, S. M.} } @article { ISI:000346405200060, title = {Efficient robust fluorite CeZrO4-delta oxide catalyst for the eco-benign synthesis of styrene}, journal = {RSC Advances}, volume = {5}, number = {5}, year = {2015}, month = {DEC}, pages = {3619-3626}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c4ra12355g}, author = {Periyasamy, Kaliyappan and Aswathy, Venugopalan T. and Kumar, Venugopal Ashok and Manikandan, Marimuthu and Shukla, Rakesh and Tyagi, Avesh K. and Raja, Thirumalaiswamy} } @article { ISI:000357587500011, title = {Efficient shoots regeneration and genetic transformation of bacopa monniera}, journal = {Physiology and Molecular Biology of Plants}, volume = {21}, number = {2}, year = {2015}, month = {APR}, pages = {261-267}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bacopa monniera is an important source of metabolites with pharmaceutical value. It has been regarded as a valuable medicinal plant and its entire commercial requirement is met from wild natural population. Recently, metabolic engineering has emerged as an important solution for sustained supply of assured and quality raw material for the production of active principles. Present report describes efficient in vitro multiplication and transformation method for geneticmanipulation of this species. MS medium supplemented with 2 mgl(-1) BA and 0.2 mgl(-1) IAA was found optimum for maximum shoot regeneration (98.33 \%) from in vitro leaves with 2-3 longitudinal cuts. Agrobacterium tumefaciens-mediated transformation method was used for generating transgenic B. monniera plants. Putative transformants were confirmed by GUS assay and PCR based confirmation of hptII gene. DNA blot analysis showed single copy insertion of transgene cassette. An average of 87.5 \% of the regenerated shoots were found PCR positive for hptII gene and GUS activity was detected in leaves of transgenic shoots at a frequency of 82.5 \% The efficient multiple shoots regeneration system described herein may help in mass production of B. monniera plant. Also, the high frequency transformation protocol described here can be used for genetic engineering of B. monniera for enhancement of its pharmaceutically important metabolites.

}, issn = {0971-5894}, doi = {10.1007/s12298-015-0290-6}, author = {Kumari, Uma and Vishwakarma, Rishi K. and Gupta, Neha and Ruby and Shirgurkar, M. V. and Khan, Bashir Mohammad} } @article {42918, title = {Emerging energy applications of two-dimensional layered materials}, journal = {Canadian Chemical Transactions}, volume = {3}, year = {2015}, month = {MAR}, pages = {118-157}, abstract = {

Atomically thin semiconducting transition metal dichalcogenides (TMDCs) layered materials have recently been emerged as an exciting area of research due to accessibility for easy synthesis using various chemical and physical methods. These two-dimensional (2D) layered materials with single layer have direct and wide band gap due to which, they are more suitable for nanoelectronics and optoelectronics device applications. Here, we present a review of the energy related aspects of atomically thin layered materials like MoS2, WS2, MoSe2, WSe2, InSe, GaSe, GaTe, MoTe2, WTe2 etc. for supercapacitor, solar cell, lithium ion battery and water splitting application. By significantly assessing various materials and comparing their performances with challenging technology, the advantages and disadvantages of this promising area of energy materials are recognized, which may provide guidelines for future progress.

}, doi = {10.13179/canchemtrans.2015.03.02.0174}, author = {Late, Dattatray J. and Rout, Chandra Sekhar and Chakravarty, Disha and Ratha, Satyajit} } @article { ISI:000359393500052, title = {Enantiospecific synthesis of both enantiomers of the longtailed mealybug pheromone and their evaluation in a new zealand vineyard}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {15}, year = {2015}, month = {AUG}, pages = {7785-7789}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The irregular monoterpenoid sex pheromone of Pseudococcus longispinus and its enantiomer were prepared from the corresponding bornyl acetates. The use of readily accessible chiral starting materials and lactone lactone rearrangement are the highlights of the present synthesis. The biological activities of the two enantiomers and racemic mixture were tested in a New Zealand vineyard. The (S)-(+)-enantiomer was significantly more attractive to P. longispinus males than the racemic mixture or the (R)-(-)-enantiomer.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01131}, author = {Ramesh, Remya and Bell, Vaughn and Twidle, Andrew M. and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000362499200027, title = {Engineering proteins for thermostability with iRDP web server}, journal = {Plos One}, volume = {10}, number = {10}, year = {2015}, month = {OCT}, pages = {e0139486}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Engineering protein molecules with desired structure and biological functions has been an elusive goal. Development of industrially viable proteins with improved properties such as stability, catalytic activity and altered specificity by modifying the structure of an existing protein has widely been targeted through rational protein engineering. Although a range of factors contributing to thermal stability have been identified and widely researched, the in silico implementation of these as strategies directed towards enhancement of protein stability has not yet been explored extensively. A wide range of structural analysis tools is currently available for in silico protein engineering. However these tools concentrate on only a limited number of factors or individual protein structures, resulting in cumbersome and time-consuming analysis. The iRDP web server presented here provides a unified platform comprising of iCAPS, iStability and iMutants modules. Each module addresses different facets of effective rational engineering of proteins aiming towards enhanced stability. While iCAPS aids in selection of target protein based on factors contributing to structural stability, iStability uniquely offers in silico implementation of known thermostabilization strategies in proteins for identification and stability prediction of potential stabilizing mutation sites. iMutants aims to assess mutants based on changes in local interaction network and degree of residue conservation at the mutation sites. Each module was validated using an extensively diverse dataset. The server is freely accessible at http://irdp.ncl.res.in and has no login requirements.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0139486}, author = {Panigrahi, Priyabrata and Sule, Manas and Ghanate, Avinash and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000370057200011, title = {Enhanced electron field emission from NiCo2O4 nanosheet arrays}, journal = {Materials Research Express}, volume = {2}, number = {9}, year = {2015}, month = {SEP}, pages = {095011}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Electron emission properties of electrodeposited spinel NiCo2O4 nanosheet arrays grown on Ni foam have been studied. The work function of NiCo2O4 was calculated by density functional theory using the plane-wave basis set and used to estimate the field enhancement factor. The NiCo2O4 nanosheet arrays exhibited a low turn-on field of 1.86 V mu m(-1) at 1 mu A cm(-2) and current density of 686 mu A cm(-2) at 3.2 V mu m(-1), with field enhancement factor beta = 1460 and good field emission current stability. The field emission properties of the NiCo2O4 nanosheet arrays showed enhanced performance compared to chemically prepared NiCo2O4 nanosheets. Hence, the nanosheet arrays have great potential as robust high performance vertical structure electron emitters for future flat panel displays and vacuum electronic device applications.

}, keywords = {Density functional theory, field emission, nanosheets, NiCo2O4, spinel}, issn = {2053-1591}, doi = {10.1088/2053-1591/2/9/095011}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and Gelamo, Rogerio V. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000361832600067, title = {Enhanced field emission of plasma treated multilayer graphene}, journal = {Applied Physics Letters}, volume = {107}, number = {12}, year = {2015}, month = {SEP}, pages = {123503}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

Electron emission properties of multilayer graphene (MLG) prepared by a facile exfoliation technique have been studied. Effect of CO2 Ar, N-2, plasma treatment was studied using Raman spectroscopy and investigated for field emission based application. The CO2 plasma treated multilayer graphene shows an enhanced field emission behavior with a low turn on field of 0.18 V/mu m and high emission current density of 1.89 mA/cm(2) at an applied field of 0.35 V/mu m. Further the plasma treated MLG exhibits excellent current stability at a lower and higher emission current value. (C) 2015 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4931626}, author = {Khare, Ruchita T. and Gelamo, Rogerio V. and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000361120000056, title = {Evaluation of imidazolium-based ionic liquids towards vermicidal activity: in vitro \& in silico studies}, journal = {RSC Advances}, volume = {5}, number = {92}, year = {2015}, month = {AUG}, pages = {75415-75424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of six different ionic liquids (ILs) of the kind 1-alkyl-3-methylimidazolium bromide/hydroxide (IL-Br and IL-OH) tailored with different N-alkyl side chains (ethyl, butyl, octyl) were synthesized and evaluated for their vermicidal activity against the Indian earthworm, Pheretima posthuma. The percentage of paralysis and mortality of earthworms against ILs were recorded in a dose dependent (at different concentrations 2, 4, 8 and 16 mM) and time dependent manner. The ILs with hydroxide as the counter anion (IL-OH) showed higher vermicidal activity compared to their bromide counterparts (IL-Br). Moreover, the ILs with the longest alkyl chain (octyl) were observed to have significant vermicidal activity compared to the rest (ethyl and butyl) as well as the standard drug, Albendazole. Furthermore, theoretical modeling was carried out to visualize the preferential docking positions of these ILs into the active site of beta-tubulin. Fascinatingly, it was found that the ILs with longest alkyl side chain showed remarkable vermicidal activity compared to the rest, and the molecular docking studies not only validated the experimental results, but also showed per-residue interaction analysis between the ILs and the different components of beta-tubulin.

}, issn = {2046-2069}, doi = {10.1039/c5ra13469b}, author = {Charan, K. T. Prabhu and Ranjan, Prabodh and Manojkumar, Kasina and Pothanagandhi, Nellepalli and Jha, Prakash C. and Khedkar, Vijay M. and Sivaramakrishna, Akella and Vijayakrishna, Kari} } @article { ISI:000362834600003, title = {Experimental signature of microheterogeneity in ionic liquid-H2O systems and their perturbation by adding Li+ salts: a pulsed gradient spin-echo NMR approach}, journal = {Chemphyschem}, volume = {16}, number = {14}, year = {2015}, month = {OCT}, pages = {2936-2941}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Distinct microheterogeneity has been observed in the [OMIM]Br-H2O system, which is interestingly perturbed by the addition of Li+ salts, indicating unusual diffusivity of [OMIM]Br and H2O molecules. However, the diffusional dynamics of water clusters show contrasting salting behavior at higher concentrations of Li+ salts, following the classical salting phenomenon in lower amounts. In contrast, the existing microheterogeneity in the [BMIM]Br-H2O system is weak enough to show any perturbation caused by the Li+ salts on the NMR time scale.

}, keywords = {ionic liquids, lithium, microheterogeneity, salt effect, viscosity}, issn = {1439-4235}, doi = {10.1002/cphc.201500503}, author = {Nanda, Raju and Rajamohanan, P. R. and Kumar, Anil} } @article { ISI:000353097100022, title = {Facile biological approach for immobilization, physicochemical characterization and antibacterial activity of noble metals nanocomposites}, journal = {Materials Letters}, volume = {148}, year = {2015}, month = {JUN}, pages = {86-90}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The use of biopolymer as template to regulate metallic nanoparticles is promising field in green nanotechnology. We have designed a facile biological way for rapid synthesis and immobilization of gold and silver nanoparticles on alginate films using leaf extract of Cassia auriculata. The prepared gold bio-nanocomposite (Au-BNC) and silver bio-nanocomposite (Ag-BNC) were characterized by UV-vis spectroscopy, Fourier transform infrared spectroscopy, Transmission electron microscopy and Thermal analysis. The bio-nanocomposites exhibited good antibacterial activity against both gram positive (Bacillus subtilis) and gram negative (Escherichia coli) bacteria. The metal nanoparticle embedded films have number of applications in catalysis, optical biosensors, electronic, biomedical devices and environmental remediation. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Alginate, Antibacterial, Bio-nanocomposites, Cassia auriculata, Characterization, Nanoparticles}, issn = {0167-577X}, doi = {10.1016/j.matlet.2015.02.059}, author = {Parveen, Asra and Ali, Tayyab and Wahid, Malik and Rao, Srinath} } @article { ISI:000354445900067, title = {Facile synthesis of Ag nanowire-rGO composites and their promising field emission performance}, journal = {RSC Advances}, volume = {5}, number = {52}, year = {2015}, month = {APR}, pages = {41887-41893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra00308c}, author = {Samantara, Aneeya K. and Mishra, Dillip Kumar and Suryawanshi, Sachin R. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Jena, Bikash Kumar and Rout, Chandra Sekhar} } @article {43021, title = {Factors influencing L-asparaginase production by three thermophilic caprophilous fungi}, journal = {International Journal of Pharma Sciences}, volume = {5}, year = {2015}, month = {SEP}, pages = {1242-1248}, abstract = {

Influence of medium, pH and temperature on L-asparaginase production by Thielavia terrestris, Malbranchea cinnamomea and Scytalidium thermophilum in submerged fermentation process was investigated. Maximum Lasparaginase production was recorded in the glucose medium supplemented with 0.5\% L-asparagine monohydrate on 8th day of incubation. Czapek-dox medium was the next proffered medium for both biomass and L-asparaginase production by the fungi under investigation. Among different pH tried, pH 7.0 was optimum for L-asparaginase production, while enzyme production was marginal in medium with 6.0-8.0. Temperature of 45{\textdegree}C and 50{\textdegree}C were optimum for T. terrestris for growth of M. cinnamomea and S. thermophilum respectively. Maximum Lasparaginase activity of all three fungi was recorded at 45{\textdegree}C with varying extent was recorded. Analysis of variance of the data revealed significant differences (p-0.05) among the different culture media, pH and temperature on the production of L-asparaginase. A significant and positive correlation coefficient (R) was also observed between the growth and L-asparaginase activity of T. terrestris (0.570), M. cinnamomea (0.947) and S. thermophilum (0.948). Conclusion the culture medium and factors like pH, incubation temperature and incubation period play an important role in the L-asparaginase production by all the three thermophilic caprophilous fungi.

}, author = {Shanthipriya, A. and Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000346733500087, title = {Field emission properties of spinel ZnCo2O4 microflowers}, journal = {RSC Advances}, volume = {5}, number = {7}, year = {2015}, month = {DEC}, pages = {5372-5378}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c4ra10246k}, author = {Ratha, Satyajit and Khare, Ruchita T. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000359956500020, title = {First regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles}, journal = {Tetrahedron Letters}, volume = {56}, number = {36}, year = {2015}, month = {SEP}, pages = {5140-5144}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles is described for the first time. The iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles using molecular iodine afforded diiodo-compound which on Cul-catalyzed intramolecular C-N coupling reaction gave six-membered 2-aryl-51141,2,4]triazolo[5,1-b][1,3]thiazines, whereas, the five membered 3-aryl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazoles were obtained exclusively when the iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles was carried out using NIS. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Iodocyclization, Regloselective, Thiazine, Triazole}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.006}, author = {Rode, Navnath D. and Sonawane, Amol D. and Garud, Dinesh R. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P.} } @article { ISI:000350528300019, title = {First synthesis of nitrosporeusines, alkaloids with multiple biological activities}, journal = {Tetrahedron Letters}, volume = {56}, number = {10}, year = {2015}, month = {MAR}, pages = {1252-1254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of nitrosporeusines A and B, thioester-bearing alkaloids from the Arctic Streptomyces nitrosporeus with exceptional biological activity is disclosed for the first time. In addition, we have prepared another biologically important natural product, maleimycin, in optically pure form using a gram-scale enzymatic resolution method. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Enzymatic resolution, Influenza H1N1 virus, Maleimycin, Michael reaction, Nitrosporeusine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.01.143}, author = {Philkhana, Satish Chandra and Jachak, Gorakhnath R. and Gunjal, Vidya B. and Dhage, Nagsen M. and Bansode, Ajay H. and Reddy, D. Srinivasa} } @article { ISI:000362615700025, title = {Flow in vortex diodes}, journal = {Chemical Engineering Research \& Design}, volume = {102}, year = {2015}, month = {OCT}, pages = {274-285}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

A vortex diode is used as a cavitation device for treatment of industrial waste water and also, as a leaky non-return valve in nuclear applications. It consists of a vortex chamber with an axial and tangential port. When the fluid is injected through the tangential port, a strong vortex flow is set up in the diode chamber. This flow is characterized by phenomena such as vortex transition, precessing vortex core, toroidal recirculation zone, reverse flow core and recirculation zone in the axial port. Although studies have been conducted on the {\textquoteleft}{\textquoteleft}confined vortex{\textquoteright}{\textquoteright} class of flows (and some of them on vortex diodes), none of them provides a collective account of key nuances of the flow in a vortex diode. The flow in the diode differs from other confined-vortex flows on account of the axial-velocity deficit, due to which, direct correlations from other confined vortex flows cannot be applied to the diode. This work attempts to address the aforementioned flow characteristics in the diode using results primarily from CFD simulations. The reported methodology, computational model and results will be useful to gain better understanding of flows in vortex diodes and to optimize designs of vortex diodes for variety of applications. (C) 2015 Published by Elsevier B.V. on behalf of The Institution of Chemical Engineers.

}, keywords = {CFD, Confined vortex, Diode, Precessing vortex core, Recirculation}, issn = {0263-8762}, doi = {10.1016/j.cherd.2015.05.028}, author = {Pandare, Aditya and Ranade, Vivek V.} } @article { ISI:000363080800011, title = {Formal total synthesis of (-)-kumausallene}, journal = {Tetrahedron}, volume = {71}, number = {45}, year = {2015}, month = {NOV}, pages = {8577-8584}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Deacetylkumausyne-a penultimate intermediate in Tang{\textquoteright}s total synthesis of (-)-kumausallene has been synthesized employing a chiral pool approach and thus culminating in a formal total synthesis of kumausallene. The opening of an epoxide with alkyne (use of Birch reduction for the selective construction of E-pent-3-enyl group) and C-allylation have been used to introduce the pendant alkenyl side chains. Initial attempts to execute an alternative to Tang{\textquoteright}s route comprising a prior installation of the bromoallene unit via bromoetherification and subsequent S(N)2 displacement are unsuccessful. To overcome this, an alternative approach was developed to arrive at Deacetylkumausyne (another natural product that has been synthesized and characterized by Tang{\textquoteright}s group). Thus, this overall exercise has culminated in a formal total synthesis of (-)-kumausallene. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Bis-THF natural products, Chiral pool, Deacetylkumausyne, Total synthesis, Wittig reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.09.027}, author = {Das, Shyamsundar and Ramana, Chepuri V.} } @article { ISI:000365462900005, title = {FRET-based probe for monitoring pH changes in lipid-dense region of Hct116 cells}, journal = {Organic Letters}, volume = {17}, number = {22}, year = {2015}, month = {NOV}, pages = {5532-5535}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b02568}, author = {Reddy, Upendar G. and Anila, H. A. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000363184600027, title = {Gedunin and azadiradione: human pancreatic alpha-amylase inhibiting limonoids from neem (azadirachta indica) as anti-diabetic agents}, journal = {Plos One}, volume = {10}, number = {10}, year = {2015}, month = {OCT}, pages = {e0140113}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

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

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0140113}, author = {Ponnusamy, Sudha and Haldar, Saikat and Mulani, Fayaj A. and Smita S. Zinjarde and Thulasiram, Hirekodathakallu and RaviKumar, Ameeta} } @article { ISI: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:000358630800013, title = {Genotype x environment interactions and QTL clusters underlying dough rheology traits in triticum aestivum L.}, journal = {Journal of Cereal Science}, volume = {64}, year = {2015}, month = {JUL}, pages = {82-91}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Genetic dissection of dough rheology traits (DRT) in hexaploid wheat was carried out using nine mixograph characters evaluated in two consecutive years in three agro-climatic zones in India in an RIL population (HI977 x HD2329). Pearson correlations determined in each year-location indicated 15 stable trait inter-relationships among them but inconsistent correlations with loaf volume (LV) were observed. Using AMMI analysis we derived patterns in G x E interactions (GEI) indicating 6-47\% contribution for the DRT. Composite interval mapping using a linkage map of 202 SSR markers identified 144 DRT QTLs of which, 96 were detected in single- and the rest in two to five year-locations. Sixteen QTL clusters located on ten chromosomes were identified and only three of them on chromosomes 1B, 5B and 6D involved LV QTLs. For each trait, majority of the DRT QTLs detected in single as well as multiple environments showed location-specificity and suggested that owing to GEI, breeding for wheat dough quality might need careful selection of QTLs targeted for individual agro-climatic zones. The inconsistent correlations of DRT and LV and differential locations of their QTLs in this population corroborated that using dough rheological traits alone to predict LV might pose challenges during wheat improvement. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {AMMI analysis, Dough rheology, Mixograph, QTL}, issn = {0733-5210}, doi = {10.1016/j.jcs.2015.05.002}, author = {Prashant, Ramya and Mani, Elangovan and Rai, Richa and Gupta, R. K. and Tiwari, Ratan and Dholakia, Bhushan B. and Oak, Manoj and Roeder, Marion and Kadoo, Narendra Y. and Gupta, Vidya} } @article { ISI:000354205600005, title = {Gold(I)-catalyzed hydroindolylation of allenyl ethers}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {19}, year = {2015}, month = {APR}, pages = {5358-5362}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The gold(I)-catalyzed reaction/rearrangement of allenyl ethers has been investigated in the presence of indoles. Either hydroindolylation or alkylation of an indole with the pendant group of allenyl ether has been observed. The reaction outcome seems to be decided mainly by the nature of the pendant group of the allenyl ether. Control experiments are indicative of an inner sphere mechanism for the hydroindolylation reaction.

}, issn = {1477-0520}, doi = {10.1039/c5ob00635j}, author = {Kona, Chandrababu Naidu and Shinde, Mahesh H. and Ramana, Chepuri V.} } @article { ISI:000362083400021, title = {Heat transfer and mixing in flow through pinched pipe}, journal = {Canadian Journal of Chemical Engineering}, volume = {93}, number = {10}, year = {2015}, month = {OCT}, pages = {1860-1868}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

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

}, keywords = {computational fluid dynamics (CFD), heat transfer, mixing, pinched pipe, pressure drop}, issn = {0008-4034}, doi = {10.1002/cjce.22275}, author = {Hasabnis, Nilesh S. and Totlani, Kartik A. and Ranade, Vivek V.} } @article { ISI:000358237400020, title = {Highly efficient triphenyl(3-sulfopropyl)phosphonium functionalized phosphotungstic acid on silica as a solid acid catalyst for selective mono-allylation of acetals}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {8}, year = {2015}, month = {MAY}, pages = {4039-4047}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silica supported phosphotungstic acid functionalized with triphenyl(3-sulfopropyl)phosphonium (PW-Si/TPSP) was developed as a solid acid catalyst for C-C bond formation via Hosomi-Sakurai allylation of acetals. Functionalization of PW as well as its binding to silica was confirmed by solid state P-31-NMR and Si-29-NMR, respectively. Among the various catalysts prepared, the 30\% PW loaded (30PW-Si/TPSP) catalyst gave an excellent yield of homoallyl ethers (HAEs) via selective mono-allylation of acetals with allyltrimethylsilane. A plausible reaction pathway has also been proposed in which the strong Bronsted acid sites of 30PW-Si/TPSP play an important role in activating the acetals to form the corresponding oxonium cations. The versatility of our catalyst was demonstrated for the allylation of a wide variety of acetals while its stability was established in five successful recycling runs.

}, issn = {2044-4753}, doi = {10.1039/c5cy00531k}, author = {Kamble, Sumit B. and Shinde, Suhas H. and Rode, Chandrashekhar V.} } @article { ISI:000363666000023, title = {Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons}, journal = {Chemical Communications}, volume = {51}, number = {89}, year = {2015}, month = {SEP}, pages = {16115-16118}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c5cc06351e}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Thorat, Shridhar and Maity, Arunava and Kulkarni, Prasad P. and Gonnade, Rajesh G. and Munshi, Parthapratim and Patil, Nitin T.} } @article { ISI:000353641800022, title = {Hydrogen production by the water-gas shift reaction using CuNi/Fe2O3 catalyst}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {5}, year = {2015}, month = {FEB}, pages = {2752-2760}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Incorporation of both Cu and Ni together into the crystalline lattice of Fe2O3 results in a significant increase in the catalytic activity and also suppresses the methanation reaction in the high-temperature water-gas shift (HT-WGS) reaction. CuNi/Fe2O3 exhibited the highest CO conversion with negligible CH4 selectivity at the extremely high GHSV of 101 000 h(-1) (X-CO = 85\% at 400 degrees C). The high activity of CuNi/Fe2O3 catalyst is mainly due to the increase in the lattice strain and the decrease in the binding energy of lattice oxygen. In addition, X-ray photoelectron spectroscopy (XPS) results provide direct evidence for the formation of surface CuNi alloy, which plays a critical role in suppressing the methanation reaction. The detailed characterization by powder X-ray diffraction (XRD), XPS, BET, and H-2 temperature-programmed reduction (TPR) techniques was used to understand the role of dopants on host iron oxides in the enhancement of catalytic activity for HT-WGS reaction.

}, issn = {2044-4753}, doi = {10.1039/c5cy00173k}, author = {Jha, Ajay and Jeong, Dae-Woon and Shim, Jae-Oh and Jang, Won-Jun and Lee, Yeol-Lim and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article {42930, title = {Impedimetric humidity sensor based on ?-Fe2O3 nanoparticles}, journal = {Advanced Device Materials}, volume = {1}, year = {2015}, month = {JAN}, pages = {88-92}, abstract = {

Humidity sensing characteristics of thick-film sensors based on α-Fe2O3 nanoparticles synthesized by hydrothermal method have been reported. The as-synthesized α-Fe2O3 nanoparticles were characterized by using XRD, Raman spectroscopy, TEM and HRTEM. Our TEM result depicts that the size of α-Fe2O3 nanoparticles were in the range of 20{\textendash}30 nm with highly crystalline nature. For humidity sensing experiment, the sensitivity of our α-Fe2O3 nanoparticles-based sensor device was found to be \~{}99\% and the fastest response times were noted, which indicate that the α-Fe2O3 nanoparticle-based humidity sensor device has more future prospects and demand. The humidity sensing properties of α-Fe2O3 nanoparticles seem to be associated to the sorption sites for the water molecules at the nanoparticles interfaces.

}, author = {Patil, U. V. and Rout, C. S. and Late, Dattatray J.} } @article { ISI:000357458400018, title = {In silico ligand binding studies of cyanogenic beta-glucosidase, dhurrinase-2 from Sorghum bicolor}, journal = {Journal of Molecular Modeling}, volume = {21}, number = {7}, year = {2015}, month = {JUL}, pages = {184}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Dhurrinase, a cyanogenic beta-glucosidase from Sorghum bicolor is the key enzyme responsible for the hydrolysis of dhurrin to produce toxic hydrogen cyanide, as a part of plant defence mechanism. Dhurrinase 1 (SbDhr1) and dhurrinase 2 (SbDhr2), two isozymes have been isolated and characterized from S. bicolor. However, there is no information in the literature about the three dimensional (3D) structure of SbDhr2 and molecular interactions involved between the protein and ligand. In this study, the three dimensional structure of SbDhr2 was built based on homology modeling by using the X-ray crystallographic structure of its close homologue SbDhr1 as the template. The generated 3D model was energy minimized and the quality was validated by Ramachndran plot, various bioinformatic tools and their relevant parameters. Stability, folding-unfolding and flexibility of the modeled SbDhr2 was evaluated on the basis of RMSD, radius of gyration (R-g) and RMSF values respectively, obtained through molecular dynamic (MD) simulation. Further, molecular docking was performed with its natural substrate dhurrin, one substrate analogue, three un-natural substrates, and one inhibitor. Analysis of molecular interactions in the SbDhr2-ligand complexes revealed the key amino acid residues responsible to stabilize the ligands within the binding pocket through non-bonded interactions and some of them were found to be conserved (Glu239, Tyr381, Trp426, Glu454, Trp511). Reasonably broader substrate specificity of SbDhr2 was explained through the wider entrance passage observed in comparison to SbDhr1.

}, keywords = {beta-Glucosidase, Dhurrinase, Molecular docking, Molecular dynamic simulation, Sorghum bicolor}, issn = {1610-2940}, doi = {10.1007/s00894-015-2730-1}, author = {Mahajan, Chavi and Patel, Krunal and Khan, Bashir Mohammad and Rawal, Shuban S.} } @article {43025, title = {Influence of carbon and nitrogen source on growth, DON and NIV production by two species of fusarium isolated from finger millets}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {7}, year = {2015}, month = {MAR}, pages = {136-139}, abstract = {

Objective: Influence of different carbon [C] and nitrogen [N] source on the growth and Deoxynivalenol [DON] and Nivalenol [NIV] production by Fusarium aethiopicum and Fusarium culmorum was investigated. Methods: Seven days old monosporic cultures of F. aethiopicum strain GSKUMB [KJ21085] and F. culmorum strain GSKUMB [KJ190159] were grown in CYA broth and incubated at 27{\textpm}2{\textdegree}C on the rotary shaker at 120 rpm for 21 days. At the end of incubation period, cultures were harvested for determination of fungal growth (biomass). The resultant culture filtrates were extracted twice with ethyl acetate and concentrated. One ml of final concentrate in methanol was employed for detection of DON and NIV with the help of RP-HPLC. Results: The highest amount of DON and NIV were produced by F. aethiopicum in the presence of D-mannose and D-galactose as C source, while the highest amount of biomass was recorded on maltose and succinic acid. F. culmorum produced maximum amount of toxins in the presence of D-glucose, D-mannitol and D-fructose. Sodium nitrate was most favorable nitrogen source as it induced maximum amount of toxins by F. aethiopicum, while L-methionine, L-asparatic acid and L-tryptophan were next preferred N source. In contrast, highest biomass of fungus was obtained with L-lysine, L-glutamine and L-tyrosine. F. culmorum produced maximum amount of toxin and biomass with potassium nitrate and L-tyrosine respectively. Conclusion: Present species of Fusarium differed varied both in toxins (DON, and NIV) and biomass production. Their response of fungi under investigation towards C and N sources is also varied.

}, author = {Penugonda, Shilpa and Rao, Vankudoth Koteswara and Rao, K. Narasimha and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article {43023, title = {Influence of different fusarium species on seed germination and seedlings growth of finger millet (Eleusine coracana L.)}, journal = {Indian Journal of Biotechnology}, volume = {11}, year = {2015}, month = {MAR}, pages = {81-89}, abstract = {

Effect of agriculturally important Fusariumspecies on the seed germination and seedling growth of finger millet (Eleusine coracana L.) was investigated. Species of Fusarium caused significant seed germination inhibition and seedling growth which varied with the species and age of the culture. Culture filtrates of F. moniliforme, F. proliferatum, F. chlamydosporum, F. aethiopicum, F. heterosporum and F. sporotrichoides were comparatively more toxic. The correlation coefficients between polished and unpolished variety of fingermillet seed germination inhibition (0.574, P=0.005), shoot elongation inhibition (0.893, P=0.0000) and root elongation inhibition (0.175, P=0.1770) with culture filtrates of different species of Fusarium was recorded. Pathogenicity studies revealed that F. roseum, F.sporotrichoides, F. proliferatum and F.oxysporum caused seedrot and seedling death. The maximumroot elongation inhibition (52.20\%), mean (36.39\%) andminimum(14.73\%)were recorded toward the toxicity of different species of Fusarium. Significant and positive correlation (0.802, P=0.0026) between the root and shoot, (0.393, P=0.130) between shoot and leaf, (0.121, P=0.369) between root and leaf elongation inhibition of finger millet could be observed. The culture filtrates ofmajormycotoxigenic strains of Fusariumrevealed production of Zearalenone (ZEA), T2 toxin, nivalenol (NIV), Deoxynivalenol (DON) and Deoxyscripenol (DAS). Toxicity of Fusarium species to its seed germination and seedling growth may be attributed to their secondary metabolites including mycotoxins.

}, author = {Penugonda, Shilpa and Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article {43024, title = {Inhibitory effect of essential oils on growth and ochratoxin a production by penicillium species}, journal = {Research Journal of Microbiology}, volume = {10}, year = {2015}, month = {JUN}, pages = {1-8}, abstract = {

The screening of essential oil of brassica (Brassica oleracea), castor (Ricinus communis), coconut (Cocos nucifera), eucalyptus (Eucalyptus globulus), groundnut (Arachis hypogaea), neem (Azadirachta indica), palmolive (Elaeis guineensis) and sunflower (Helianthus annuus) for their efficacy against growth and OTA production by P. verrucosum and P. nordicum was performed. Neem and eucalyptus oil were most effective inhibitors of biomass and OTA production by both the species of Penicillium under investigation. P. nordicum was totally inhibited at 15 {\textmu}L mLG1 concentration of neem and eucalyptus oil, while P. verrucosum was inhibited only to the extent of 77.52-92.49\%. Sunflower and palmolive oils were next in their toxicity against the growth and OTA production by both the species of Penicillium under investigation. Essential oil of brassica, castor, coconut and groundnut varied in their degree of inhibition against P. verrucosum and P. nordicum. A positive correlation coefficient (R) was observed between the inhibitory effect of essential oils on growth (0.8933) and OTA production (0.9242). In conclusion, neem and eucalyptus oils proved to be potential bio-control agents and help to prevent the infestation of stored foods and feeds by 2 species of Penicillium and elaboration of OTA

}, doi = {10.3923/jm.2015.222.229}, author = {Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000361424000014, title = {Insertion copolymerization of difunctional polar vinyl monomers with ethylene}, journal = {ACS Macro Letters}, volume = {4}, number = {9}, year = {2015}, month = {SEP}, pages = {933-937}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A single-step synthesis, structural characterization and application of a neutral, acetonitrile ligated, palladium-phosphinesulfonate complex [{P\<\^\>O}PdMe(L)] (P\<\^\>O = K-2-P,O Ar2PC6H4SO2O with Ar = 2-MeOC6H4; L = CH3CN) (3) in coordination/insertion copolymerization of ethylene with difunctional olefin is investigated. In a significant development, complex 3 was found to catalyze insertion copolymerization of industrially relevant 1,1-disubstituted difunctional vinyl monomers for the first time. Thus, insertion copolymerization of ethyl-2-cyanoacrylate (ECA or super glue) and trifluoromethyl acrylic acid (TFMAA) with ethylene produced the corresponding copolymers with 6.5\% ECA and 3\% TFMAA incorporation. Increasing the concentration of difunctional olefins led to higher incorporation but at the expense of lower activities. These observations indicate that complex 3 tolerates difunctional vinyl monomers and provides direct access to difunctional polyolefins that have not been attempted before.

}, issn = {2161-1653}, doi = {10.1021/acsmacrolett.5b00562}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Chikkali, Samir H.} } @article { ISI: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:000353289100023, title = {Interesting viscosity changes in the aqueous urea-ionic liquid system: effect of alkyl chain length attached to the cationic ring of an ionic liquid}, journal = {Journal of Solution Chemistry}, volume = {44}, number = {3-4, SI}, year = {2015}, month = {APR}, pages = {742-753}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In the present article, we demonstrate the effect of urea on the structure of the ionic liquids in their aqueous solutions through viscometric methods. We unravel the structure altering effect of urea in its aqueous solutions of ionic liquids possessing higher alkyl chains. The finding is an attempt to discern the anomalous behavior of urea as shown in the past with the help of many techniques. Interestingly, in the aqueous solutions of the imidazolium based ionic liquids having substitution of -C4H9 and -C6H13 groups on the imidazolium ring, urea exhibits kosmotropic behavior. Further increase in the substituted alkyl group such as -C8H17 alters the urea behavior to be chaotropic.

}, keywords = {Alkyl chain length, ionic liquids, Structure-breaker, Structure-maker, Urea, viscosity}, issn = {0095-9782}, doi = {10.1007/s10953-015-0320-6}, author = {Nanda, Raju and Rai, Gitanjali and Kumar, Anil} } @article { ISI:000352630600044, title = {Ligand-promoted intramolecular dehydrogenative cross-coupling using a Cu catalyst: direct access to polycyclic heteroarenes}, journal = {Chemical Communications}, volume = {51}, number = {32}, year = {2015}, month = {MAR}, pages = {7065-7068}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c5cc01817j}, author = {Ray, Devalina and Manikandan, T. and Roy, Arup and Tripathi, Krishna N. and Singh, Ravi P.} } @article { ISI: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:000346079900072, title = {Mesoporous NiCu-CeO2 oxide catalysts for high-temperature water-gas shift reaction}, journal = {RSC Advances}, volume = {5}, number = {2}, year = {2015}, month = {NOV}, pages = {1430-1437}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mesoporous NiCu-CeO2 oxide catalysts were synthesized by using the evaporation-induced self-assembly method applied to the high-temperature, water-gas shift reaction (HT-WGS) between 350 to 550 degrees C. Nickel and copper loadings on mesoporous ceria were tailored to achieve high activity and selectivity by suppressing methane formation in HT-WGS. Among the prepared catalysts, NiCu(1 : 4)-CeO2 exhibited the highest selectivity to CO2 and H-2 with 85\% CO conversion at a very high GHSV of 83 665 h(-1). The higher activity of the catalysts was due to the mesoporous architecture, which provides more accessible active sites for the WGS reaction. Powder X-ray diffraction (XRD), small angle X-ray scattering (SAXS), N-2-adsorption/desorption isotherm, high-resolution transmission electron microscopy (HR-TEM), and H-2-temperature-programmed reduction (TPR) techniques were used to understand the role of mesoporosity and bimetallic composition of various NiCu-CeO2 oxides in enhancing catalytic activity for HT-WGS.

}, issn = {2046-2069}, doi = {10.1039/c4ra13142h}, author = {Jha, Ajay and Jeong, Dae-Woon and Jang, Won-Jun and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @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:000359067400013, title = {Methane hydrate formation in a test sediment of sand and clay at various levels of water saturation}, journal = {Canadian Journal of Chemistry}, volume = {93}, number = {8, 1, SI}, year = {2015}, month = {AUG}, pages = {874-881}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA}, abstract = {

Kinetics of methane hydrate formation with different ratios of silica sand and clay and different water saturations were studied. At suitable temperature and methane gas pressure, water in the void spaces of silica sand packing and intercalated area of clay were converted into hydrate. It was observed that the rate of hydrate formation increases with higher void space in the packing, and addition of clay in test sediment decreases water to hydrate conversion as well as rate of hydrate formation. Maximum water to hydrate conversion of 60.0\% was achieved in pure silica sand bed at 75\% water saturation. Presence of fine clay particles is expected to reduce the void spaces and thus may hinder effective mass transfer of hydrate forming gases in the bed. However, it is also possible that the bentonite clay used in this work may actually inhibit hydrate growth. Additional experiments in stirred tank reactor were carried out to understand the inhibiting effect of bentonite clay for hydrate formation.

}, keywords = {clay, formation kinetics, methane hydrate, Silica sand, water saturation}, issn = {0008-4042}, doi = {10.1139/cjc-2014-0537}, author = {Kumar, Asheesh and Sakpal, Tushar and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000363917000023, title = {Modeling hysteresis during crystallization and dissolution: application to a paracetamol-ethanol system}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {42}, year = {2015}, month = {OCT}, pages = {10364-10382}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Crystallization and dissolution processes are of great scientific and commercial interest. Significant efforts have been made in the past to develop mathematical models to describe these processes. In this work, observed hysteresis in particle counts during the crystallization and dissolution processes was used to develop and to test the mathematical models of crystallization and dissolution. Crystallization and dissolution experiments were performed with a system of paracetamol and ethanol. An undersaturated solution was first cooled at a particular rate causing crystallization and crystal growth. The solution was then reheated at the same rate to completely dissolve the generated particles. The particle counts and particle size distribution were measured online using a focus beam reflectance measurement (FBRM) probe. A hysteresis was observed in particle counts with respect to the solution temperature. It was also observed that this hysteresis was affected by the applied heating/cooling rates (0.3, 0.5, and 0.7 K/min) for of the solution. A systematic modeling framework based on the population balance equation (PBE) is developed for quantitatively capturing this hysteresis and the influence of cooling/heating rate on the hysteresis curve. A two-level approach was developed to simulate hysteresis: (a) PBE was solved using computationally efficient method of moments for the crystallization stage. This step was used to efficiently estimate values of parameters appearing in the model equations. (b) PBEs describing crystallization and dissolution were then solved using high resolution finite volume (HRFV) scheme coupled with the moving pivot method. The simulated hysteresis curve showed good agreement with the experimental data. Though simulated results over predicted the average particle (by,similar to 131\%), the models were successful in qualitatively explaining the counterintuitive trends observed as the average particle size was tracked with time. The framework was thus shown to be a reliable and robust framework to model crystallization and dissolution processes. The developed approach, models, and results will be useful for simulating industrially relevant crystallization dissolution processes.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b01088}, author = {Pandit, Ajinkya V. and Ranade, Vivek V.} } @article { ISI:000362749100016, title = {Modular synthesis of biaryl-substituted phosphine ligands: application in microwave-assisted palladium-catalyzed C-N cross-coupling reactions}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2015}, month = {OCT}, pages = {6515-6525}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Biaryl-substituted monophosphine-based ligands have been synthesized by transition-metal-free ARYNE cross-coupling reaction of aryllithiums with 1,2-dibromobenzene and subsequent regioselective functionalization through bromine-lithium interconversion. These ligands were employed in palladium-catalyzed C-N bond-forming reactions. The reaction was found to be general with wide substrate applicability. A wide variety of both primary and secondary amines were successfully coupled with an array of differently substituted halobenzenes under microwave irradiation to give the expected products in good to excellent yields. A number of biaryl-substituted phosphine ligands screened for the coupling reaction showed that steric bulk and the electronic properties of substituents on phosphorus play a crucial role in governing the catalytic activity of C-N cross-coupling reactions.

}, keywords = {Biaryls, Cross-coupling, Homogeneous catalysis, Microwave chemistry, Palladium, Phosphines, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201500962}, author = {Singh, Chandani and Rathod, Jayant and Jha, Vishwajeet and Panossian, Armen and Kumar, Pradeep and Leroux, Frederic R.} } @article { ISI:000354213400020, title = {Modular synthesis of dihydroxyacetone monoalkyl ethers and isosteric 1-hydroxy-2-alkanones}, journal = {European Journal of Organic Chemistry}, number = {13}, year = {2015}, month = {MAY}, pages = {2960-2964}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Straightforward methods for the efficient, systematic preparation of libraries of the title compound classes have been evaluated. A general and efficient modular route to dihydroxyacetone monoethers was developed based on trityl glycidol, which, through epoxide opening, oxidation, and deprotection, provided variously alkylated ethers by three routine operations in good overall yields (eight examples, 24-59\%). The preparation of structurally related 1-hydroxyalkanones depends on the availability of the most economic starting materials and on their physicochemical properties. Thus, the most practical one-step approaches consisted of the sec-selective oxidation of short-chain 1,2-diols (\<= C-6) using NaOCl, and the direct ketohydroxylation of 1-alkenes (\>= C-6) using buffered stoichiometric KMnO4 or catalytic RuO4 with reoxidation by oxone, for which mostly good overall yields were achieved on a multigram scale (nine examples, 15-78\%).

}, keywords = {Alkylation, Hydroxylation, Ketones, Oxidation, Oxygenation, Regioselectivity, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201403695}, author = {Gueclue, Deniz and Rale, Madhura and Fessner, Wolf-Dieter} } @article { 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:000364830000010, title = {Molecular mechanism underlying recruitment and insertion of lipid-anchored LC3 protein into membranes}, journal = {Biophysical Journal}, volume = {109}, number = {10}, year = {2015}, month = {NOV}, pages = {2067-2078}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {

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

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2015.09.022}, author = {Thukral, Lipi and Sengupta, Durba and Ramkumar, Amrita and Murthy, Divya and Agrawal, Nikhil and Gokhale, Rajesh S.} } @article { ISI:000369637800040, title = {Myroides indicus sp nov., isolated from garden soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {11}, year = {2015}, month = {NOV}, pages = {4008-4012}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

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

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

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

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

}, issn = {1359-7345}, doi = {10.1039/c4cc10171e}, author = {Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000367722500058, title = {N-Heterocyclic carbene catalyzed oxidative coupling of alkenes/alpha-bromoacetophenones with aldehydes: a facile entry to alpha,beta-epoxy ketones}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {47}, year = {2015}, month = {NOV}, pages = {14150-14153}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

{A novel, N-heterocyclic carbene (NHC) catalyzed direct oxidative coupling of styrenes with aldehydes has been described for the synthesis of alpha,beta-epoxy ketones in good yields. This unprecedented regioselective oxidative coupling employs NBS/DBU/DMSO (DBU = 1,8-diazabicyclo [5.4. 0] undec-7-ene

}, keywords = {aldehydes, epoxidation, N-heterocyclic carbenes, Oxidation, synthetic methods}, issn = {1433-7851}, doi = {10.1002/anie.201507363}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Sudalai, Arumugam} } @article {45937, title = {Nioella nitratireducens gen. nov., sp nov., a novel member of the family Rhodobacteraceae isolated from Azorean Island}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, year = {2015}, month = {FEB}, pages = {589-595}, type = {Article}, abstract = {

A novel Gram-negative, non-spore forming, rod-shaped aerobic bacterium, designated SSW136(T), was isolated from a surface seawater sample collected at Espalamaca (in Faial Island), Azores. Growth was found to occur from 10 to 37 A degrees C, pH 6.0-8.0, and with 2-11 \% of NaCl. 16S rRNA gene sequence indicated that the strain SSW136(T) belongs to the family Rhodobacteraceae. Strain SSW136(T) exhibited 96.3, 95.9, 95.7 and 95.5 sequence similarity to the type strains Oceanicola litoreus M-M22(T), Roseovarius aestuarii SMK-122(T), Marivita geojedonensis DPG-138(T), and Pseudoruegeria aquimaris SW-255(T) respectively. Neighbour-joining and maximum-parsimony phylogenetic trees based on 16S rRNA gene sequences revealed that strain SSW136(T) was affiliated to the family Rhodobacteraceae and formed a separate branch. The G+C content was 63.5 mol\%. The major respiratory quinone was found to be Q-10. The polar lipids of strain SSW136(T) consisted of phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, two unidentified aminolipids and three unidentified phospholipids. The major fatty acids were C-18:1 omega 7c (46.5 \%), Cyclo-C-19:0 omega 8c (16.0 \%) and C-16:0 (12.8 \%). On the basis of the morphological, genotypic, chemotaxonomic characteristics and low DNA-DNA relatedness, strain SSW136(T) is proposed to represent a novel genus and novel species, Nioella nitratireducens gen. nov., sp. nov., in the family Rhodobacteraceae. The type strain is SSW136(T) (=KCTC 32417(T) = NCIM 5499(T)).

}, keywords = {Espalamaca, Nioella nitratireducens, Novel genus and species, Polyphasic taxonomy, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-014-0355-5}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Khieu, Thi-Nhan and Son, Chu Ky and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000360409800002, title = {Nonomuraea indica sp nov., novel actinomycetes isolated from lime-stone open pit mine, India}, journal = {Journal of Antibiotics}, volume = {68}, number = {8}, year = {2015}, month = {AUG}, pages = {491-495}, publisher = {JAPAN ANTIBIOTICS RESEARCH ASSOC}, address = {2 20 8 KAMIOSAKI SHINAGAWA KU, TOKYO, 141, JAPAN}, abstract = {

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

}, issn = {0021-8820}, doi = {10.1038/ja.2015.24}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Li, Jie and Nie, Guo-Xing and Tang, Shu-Kun and Al Ruwaili, Jamal and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article { ISI:000347229500001, title = {One-pot quadruple/triple reaction sequence: a useful tool for the synthesis of natural products}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {4}, year = {2015}, month = {OCT}, pages = {970-973}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Multiple reactions in one pot has always been a useful technique for synthetic organic chemists, as it can minimizes solvent usage, time and the number of purification steps when compared to individual multi-step syntheses. In line with this, here in this perspective we discuss a one-pot quadruple/triple reaction sequence comprising an enyne ring-closing metathesis/cross-metathesis/Diels-Alder/aromatization for the synthesis of natural products setting.

}, issn = {1477-0520}, doi = {10.1039/c4ob02143f}, author = {Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000356054600003, title = {Oxidant controlled regio- and stereodivergent azidohydroxylation of alkenes via I-2 catalysis}, journal = {Chemical Communications}, volume = {51}, number = {51}, year = {2015}, month = {APR}, pages = {10276-10279}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel, I-2 catalyzed regio-and stereodivergent vicinal azidohydroxylation of alkenes leading to 1,2-azidoalcohols in high yields (up to 92\%) and excellent dr (up to 98\%) has been developed. This unprecedented transformation employs NaN3 and DMF as N-and O-nucleophiles respectively. The role of DMF as the O-source in the reaction has been unequivocally proven by O-18 labelling studies.

}, issn = {1359-7345}, doi = {10.1039/c5cc02374b}, author = {Prasad, P. K. and Reddi, R. N. and Sudalai, A.} } @article { ISI:000361116500070, title = {Oxidative and membrane stress-mediated antibacterial activity of WS2 and rGO-WS2 nanosheets}, journal = {RSC Advances}, volume = {5}, number = {91}, year = {2015}, month = {AUG}, pages = {74726-74733}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphene-based materials have strong cytotoxic attributes against bacteria due to their unique physicochemical properties. We examined the antibacterial activities of nanosheets of the graphene analogue tungsten disulphide (WS2) and a composite of reduced graphene oxide-tungsten disulphide (rGO-WS2), comparing them with reduced graphene oxide (rGO) by a time and concentration dependent viability assay and growth curve studies against four bacterial strains: Gram negative Escherichia coli (E. coli) and Salmonella typhimurium (S. typhimurium), and Gram positive Bacillus subtilis (B. subtilis) and Staphylococcus epidermidis (S. epidermidis). The nanosheets of the rGO-WS2 composite caused a more significant retardation in bacterial growth and inhibitory effect on the tested bacterial strains than WS2, followed by rGO. The tested E. coli and B. subtilis strains were more susceptible than the other strains. A mechanistic study revealed that rGO and WS2 did not produce the superoxide anion (O-2(-)) or reactive oxygen species (ROS), but the nanocomposite of rGO-WS2 did produce both. However, all these materials did oxidize glutathione, which serves as a redox state mediator in bacteria. We conclude that the antimicrobial mechanism is due to the combined effect of initial cell deposition on the rGO-WS2 materials, the membrane stress due to direct contact with the nanosheets, and the produced superoxide anion-independent oxidation mechanisms. The beneficial aspects of the physicochemical properties of rGO-WS2, such as its size and conductivity, can be precisely customized to reduce its health and environmental risk factors.

}, issn = {2046-2069}, doi = {10.1039/c5ra15652a}, author = {Navale, Govinda R. and Rout, Chandra Sekhar and Gohil, Kushal N. and Dharne, Mahesh S. and Late, Dattatray J. and Shinde, Sandip S.} } @article { ISI:000353745900013, title = {Oxone-acetone mediated syn-dioxygenation of benzo-fused olefins}, journal = {Tetrahedron Letters}, volume = {56}, number = {17}, year = {2015}, month = {APR}, pages = {2183-2186}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The oxone-acetone combination well established for olefin epoxidation has been demonstrated to be a practical reagent for the syn-dioxygenation (resulting in 1,3-dioxolanes) of indenes and dihydronaphthalenes. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydronaphthalene, Dioxygenation, Indene, Oxone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.03.022}, author = {Phatake, Ravindra S. and Ramana, Chepuri V.} } @article { ISI:000356549600005, title = {Oxone-acetone mediated wacker-type oxidation of benzo-fused olefins}, journal = {Tetrahedron Letters}, volume = {56}, number = {25}, year = {2015}, month = {JUN}, pages = {3868-3871}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Herein we disclose a novel application of the oxone-acetone combination for the Wacker-type oxidation of indenes and dihydronaphthalenes leading, respectively, to indan-2-ones and 2-tetralones. The amount of the base employed in the reaction seems to switch the reaction path from dioxygenation to Wacker-type oxidation. Control experiments suggest that the reaction is not proceeding via the epoxide route and also that there is no role of trace amounts of metals present in the reagents on the current oxidation. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydronaphthalene, Indene, Oxone, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.102}, author = {Phatake, Ravindra S. and Ramana, Chepuri V.} } @conference { ISI:000354845400032, title = {Partial triples excitation to the fock space multi-reference singles and doubles: dipole moment of doublet radicals}, 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 = {223-226}, 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 = {

We present the partial triples effect on the dipole moment of doublet radicals in Lagrangian formulation of Fockspace multi-reference coupled cluster response method(A FSMRCC). This specific scheme uses non-iterative triples, in addition to singles and doubles excitations(A FSMRCCSD(T*)), which accounts for the effects appearing at least at the third order in dipole moment. This method is applied to the ground states of small radicals.

}, keywords = {Dipole moment, Multi-reference, Triples}, isbn = {978-0-7354-1282-8}, issn = {0094-243X}, doi = {10.1063/1.4906657}, author = {Ravichandran, Lalitha and Vaval, Nayana and Pal, Sourav}, editor = {Simos, TE and Maroulis, G} } @article { ISI:000349669300018, title = {Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {8}, year = {2015}, month = {DEC}, pages = {2323-2329}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The inner-rim functionalization of CTV has been examined by employing Pd-catalyzed benzylic oxidation. The outcome of the oxidation depends upon the solvent and co-oxidants employed. An interesting array of CTV derivatives has been synthesized with a simple change in the conditions.

}, issn = {1477-0520}, doi = {10.1039/c4ob02469a}, author = {Senthilkumar, B. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000359166300001, title = {Penicillin V acylase from pectobacterium atrosepticum exhibits high specific activity and unique kinetics}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Penicillin V acylases (PVAs, E.C.3.5.11) belong to the Ntn hydrolase super family of enzymes that catalyze the deacylation of the side chain from phenoxymethyl penicillin (penicillin V). Penicillin acylases find use in the pharmaceutical industry for the production of semi-synthetic antibiotics. PVAs employ the N-terminal cysteine residue as catalytic nucleophile and are structurally and evolutionarily related to bile salt hydrolases (BSHs). Here, we report the cloning and characterization of a PVA enzyme from the Gram-negative plant pathogen, Pectobacterium atrosepticum (PaPVA). The enzyme was cloned and expressed in Escherichia coli attaining a very high yield (250 mg/l) and a comparatively high specific activity (430 IU/mg). The enzyme showed marginally better pH and thermo-stability over PVAs characterized from Gram-positive bacteria. The enzyme also showed enhanced activity in presence of organic solvents and detergents. The enzyme kinetics turned out to be significantly different from that of previously reported PVAs, displaying positive cooperativity and substrate inhibition. The presence of bile salts had a modulating effect on PaPVA activity. Sequence analysis and characterization reveal the distinctive nature of these enzymes and underscore the need to study PVAs from Gram-negative bacteria. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Cooperative, Enzyme kinetics, Gram-negative, Penicillin V acylase, Substrate inhibition}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.04.036}, author = {Avinash, Vellore Sunder and Ramasamy, Sureshkumar and Suresh, C. G. and Pundle, Archana} } @article {42916, title = {Perspective on atomically thin 2d inorganic layered materials for biosensor}, journal = {Journal of Nanomedicine Research}, volume = {2}, year = {2015}, month = {JAN}, author = {Late, Dattatray J. and Rout, C. S. and Chakravarty, Disha and Ratha, S.} } @article { ISI:000355011700006, title = {Photosensitive field emission study of SnS2 nanosheets}, journal = {Journal of Vacuum Science \& Technology B}, volume = {33}, number = {3}, year = {2015}, month = {MAY}, pages = {Article Number: 03C106}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 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 solutions are used. The FE study is carried out in a planar diode configuration at a base pressure of similar to 10(-8) mbar. The emission photosensitivity is also investigated by illuminating the specimen with a visible light source. In dark, the turn on field, the electric field required to obtain a current density of 1 mu A/cm(2), is found to be 5.9 V/mu m. Upon illumination, the emitter with visible light, it is found to reduce to 5.0 V/mu m. A significant change in the nature of the Fowler-Nordheim plot with light illumination is also observed and has been explained on the basis of photoconductivity. Repetitive switching ON and OFF the light source, at a fixed applied voltage, is found to generate current pulses. The photosensitivity is also studied with various color filters. With the photoswitching and the enhanced field emission properties, it is envisaged that SnS(2)NSs possess a potential for optoelectronic applications of field emitters. (C) 2014 American Vacuum Society.

}, issn = {1071-1023}, doi = {10.1116/1.4904970}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Rout, Chandra Shekhar and Late, Dattatray J.} } @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:000361212000060, title = {Potent inhibition of miR-27a by neomycin-bisbenzimidazole conjugates}, journal = {Chemical Science}, volume = {6}, number = {10}, year = {2015}, month = {JUL}, pages = {5837-5846}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

miRNAs are important components of regulatory networks that control gene expression and have implications in various diseases including cancer. Targeting oncogenic miRNAs with small molecules is currently being explored to develop cancer therapeutics. Here, we report the development of dual binding neomycin-bisbenzimidazole conjugates that target oncogenic miR-27a with high affinity (K-a = 1.2 to 7.4 x 10(8) M-1). These conjugates bring significant reduction (similar to 65\% at 5 mu M) in mature miRNA levels and penetrate easily in the cells where they localise both in the cytoplasm and the nucleus. Cell cycle analysis showed significant increase in the G0/G1 phase (similar to 15\%) and decrease in the S phase (similar to 7\%) upon treatment with neomycin-bisbenzimidazole conjugates, suggesting inhibition of cell proliferation. Using the conjugation approach, we show that moderately binding ligands can be covalently combined into high affinity binders. This study also highlights the role of linker optimization in designing high affinity ligands for miR-27a targeting.

}, issn = {2041-6520}, doi = {10.1039/c5sc01969a}, author = {Nahar, Smita and Ranjan, Nihar and Ray, Arjun and Arya, Dev P. and Maiti, Souvik} } @article { ISI:000360934400004, title = {Prediction of bioactive compounds using computed NMR chemical shifts}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {562-576}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

NMR based chemical shifts are an important diagnostic parameter for structure elucidation as they capture rich information related to conformational, electronic and stereochemical arrangement of functional groups in a molecule which is responsible for its activity towards any biological target. The present work discusses the importance of computing NMR chemical shifts from molecular structures. The NMR chemical shift data (experimental or computed) was used to generate fingerprints in binary formats for mapping molecular fragments (as descriptors) and correlating with the bioactivity classes. For this study, chemical shift data derived binary fingerprints were computed for 149 classes and 4800 bioactive molecules. The sensitivity and selectivity of fingerprints in discriminating molecules belonging to different therapeutic categories was assessed using a LibSVM based classifier. An accuracy of 82\% for proton and 94\% for carbon NMR fingerprints were obtained for anti-psoriatic and anti-psychotic molecules demonstrating the effectiveness of this approach for virtual screening.

}, keywords = {Chemical shift, fingerprints, NMR, similarity searching, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113312}, author = {Karthikeyan, Muthukumarasamy and Rajamohanan, Pattuparambil Ramanpillai and Vyas, Renu} } @article { ISI:000359031400006, title = {Propensity of self-assembled leucine-lysine diblock copolymeric alpha-helical peptides to remain in parallel and antiparallel alignments in water}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {30}, year = {2015}, month = {JUL}, pages = {9520-9531}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Molecular dynamics Simulation study of alpha-helical diblock copolypeptides: preassembled in parallel and antiparallel alignments in water are presented. The assembled peptide lamellar structures were not disrupted even: after performing three step simulation protocols. Primarily hydrogen bonds between peptide are responsible for the stability: The analysis of the trajectory also suggests that Water plays a significant role in favoring self assembly We have detected continuous hydrogen bonded network structure, which is further responsible for the stability Of the lamellar structures. We have performed a detailed analysis of the hydrogen bonded network structure and its length. Further, free energy calculations revealed that the degree of stability for both lamellae are similar. The present study provides structural insight into the stability of self-assembled structures of block copolypeptides.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b02258}, author = {Sarkar, Sujit and Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000364862000037, title = {Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {45}, year = {2015}, month = {OCT}, pages = {30551-30559}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We performed first principles molecular dynamics simulations to elucidate the mechanism and role of 1,2,3-triazole in proton transport while it is mixed with phosphoric acid (PA) and a phosphoric acid imidazole mixture. PA doped imidazole based polymer acts as an efficient polyelectrolyte membrane for fuel cells. The conductivity of this membrane increases when triazole is added to the system. For the first time we performed ab initio molecular dynamics simulations of complex mixtures of PA, imidazole and triazole. We have quantitatively estimated the structural diffusion and vehicular motion of protons. We found that upon the addition of triazole in PA and the PA imidazole mixture, the structural diffusion of protons increases significantly. The mechanism of proton transport is different when triazole is added to the mixture. We have also identified two different paths for structural diffusion (constructive and non-constructive) that contribute to long and short range proton transport.

}, issn = {1463-9076}, doi = {10.1039/c5cp05735c}, author = {Pahari, Swagata and Roy, Sudip} } @article { ISI:000362436800013, title = {Pt-nanoparticle functionalized carbon nano-onions for ultra-high energy supercapacitors and enhanced field emission behaviour}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {80990-80997}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the present work, we have investigated the charge storage capacitive response and field emission behaviour of platinum (Pt) nanoparticles decorated on carbon nano onions (CNOs) and compared them with those of pristine carbon nano onions. The specific capacitance observed for Pt-CNOs is 342.5 F g(-1), about six times higher than that of pristine CNOs, at a scan rate of 100 mV s(-1). The decoration with Pt nanoparticles, without any binder or polymer separator on the CNO, leading to enhanced supercapacitance is due to easy accessibility of Na2SO4 electrolyte in the active material. The Density Functional Theory (DFT) calculations of these systems reveal enhancement in the Density of States (DOS) near the Fermi energy (E-F) on account of platinum decoration on the CNOs. Furthermore, the field emission current density of similar to 0.63 mA cm(-2) has been achieved from the Pt-CNOs emitter at an applied electric field of similar to 4.5 V mu m(-1) and from the pristine CNOs sample current density of similar to 0.4 mA cm(-2) has been achieved at an applied electric field of similar to 6.6 V mu m(-1). The observed enhanced field emission behavior has been attributed to the improved electrical conductivity and increased emitting sites of the Pt-CNO emitter. The field emission current stability of the Pt-CNO emitter over a longer duration is found to be good. The observed results imply multifunctional potential of Pt-CNOs, as supercapacitor material in various next generation hybrid energy storage devices, and field emitters for next generation vacuum nano/microelectronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra12364j}, author = {Suryawanshi, Sachin R. and Kaware, Vaibhav and Chakravarty, Disha and Walke, Pravin S. and More, Mahendra A. and Joshi, Kavita and Rout, Chandra Sekhar and Late, Dattatray J.} } @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: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 { ISI:000352508300032, title = {Reactivity and operational stability of N-Tailed TAMLs through kinetic studies of the catalyzed oxidation of orange II by H2O2: synthesis and x-ray structure of an N-Phenyl TAML}, journal = {Chemistry A-European Journal}, volume = {21}, number = {16}, year = {2015}, month = {APR}, pages = {6226-6233}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

{The catalytic activity of the N-tailed (biuret) TAML (tetraamido macrocyclic ligand) activators [Fe{4-XC6H3-1,2-(NCOCMe2NCO)(2)NR}Cl](2-) (3; N atoms in boldface are coordinated to the central iron atom; the same nomenclature is used in for compounds 1 and 2 below), [X

}, keywords = {Hydrogen peroxide, iron, kinetics, Oxidation, reaction mechanisms}, issn = {0947-6539}, doi = {10.1002/chem.201406061}, author = {Warner, Genoa R. and Mills, Matthew R. and Enslin, Clarissa and Pattanayak, Shantanu and Panda, Chakadola and Panda, Tamas Kumar and Sen Gupta, Sayam and Ryabov, Alexander D. and Collins, Terrence J.} } @article { ISI:000363167900028, title = {Reagent for specific recognition of cysteine in aqueous buffer and in natural milk: imaging studies, enzymatic reaction and analysis of whey protein}, journal = {Chemical Communications}, volume = {51}, number = {85}, year = {2015}, month = {AUG}, pages = {15592-15595}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c5cc04876a}, author = {Anila, H. A. and Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000359234100003, title = {Recent developments in 2D layered inorganic nanomaterials for sensing}, journal = {Nanoscale}, volume = {7}, number = {32}, year = {2015}, month = {JUN}, pages = {13293-13312}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two dimensional layered inorganic nanomaterials (2D-LINs) have recently attracted huge interest because of their unique thickness dependent physical and chemical properties and potential technological applications. The properties of these layered materials can be tuned via both physical and chemical processes. Some 2D layered inorganic nanomaterials like MoS2, WS2 and SnS2 have been recently developed and employed in various applications, including new sensors because of their layer-dependent electrical properties. This article presents a comprehensive overview of recent developments in the application of 2D layered inorganic nanomaterials as sensors. Some of the salient features of 2D materials for different sensing applications are discussed, including gas sensing, electrochemical sensing, SERS and biosensing, SERS sensing and photodetection. The working principles of the sensors are also discussed together with examples.

}, issn = {2040-3364}, doi = {10.1039/c5nr03633j}, author = {Kannan, Padmanathan Karthick and Late, Dattatray J. and Morgan, Hywel and Rout, Chandra Sekhar} } @article { ISI:000350842300005, title = {Recent developments in solar H-2 generation from water splitting}, journal = {Journal of Chemical Sciences}, volume = {127}, number = {1}, year = {2015}, month = {JAN}, pages = {33-47}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Hydrogen production from water and sunlight through photocatalysis could become one of the channels, in the not-so-distant future, to meet a part of ever growing energy demands. However, accomplishing solar water splitting through semiconductor particulate photocatalysis seems to be the {\textquoteleft}Holy Grail{\textquoteright} problem of science. In the present mini-review, some of the critical strategies of semiconductor photocatalysis are focused with the aim of enumerating underlying critical factors such as visible light harvesting, charge carrier separation, conduction and their utilization that determine the quantum efficiency. We attempted to bring out the essential requirements expected in a material for facile water splitting by explaining important and new designs contributed in the last decade. The newly emerged designs in semiconductor architecture employing nanoscience towards meeting the critical factors of facile photocatalysis are elucidated. The importance of band gap engineering is emphasized to utilize potential wide band gap semiconductors. Assistance of metal nanostructures and quantum dots to semiconductors attains vital importance as they are exuberant visible light harvesters and charge carrier amplifiers. Benevolent use of quantum dots in solar water splitting and photoelectrochemical water splitting provides scope to revolutionize the quantum efficiency by its multiple exciton generation features. A list of drawbacks and issues that hamper the much needed breakthrough in photocatalysis of water splitting is provided to invite attention to address them and move towards sustainable water splitting.

}, keywords = {Hydrogen, nanomaterial, Photocatalysis, quantum dot, Semiconductor, visible light, water splitting}, issn = {0974-3626}, doi = {10.1007/s12039-014-0747-0}, author = {Rajaambal, Sivaraman and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000357617800013, title = {Reduced graphene oxide composite with oxidizable manganese/cobalt mixed oxide for p-cresol oxidation by using molecular oxygen}, journal = {ChemPlusChem}, volume = {80}, number = {7}, year = {2015}, month = {JUL}, pages = {1164-1169}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A composite of graphene oxide (GO) with mixed oxide (MnCo) was prepared by using a solvothermal method. During the synthesis, both the reduction of GO and growth of metal oxides took place simultaneously. The as-prepared composite material was highly selective for the liquid-phase oxidation of p-cresol to form p-hydroxybenzaldehyde in 71\% yield within 1h. The composite material was characterised by SEM, X-ray photoelectron spectroscopy, high-resolution TEM and cyclic voltammetry (CV). A CV study revealed that the increase in the redox potential of the mixed oxide after being supported on GO, led to its higher activity of the catalyst for the oxidation reaction. The stability of the catalyst under the reaction conditions was studied by its successful reuse in three cycles.

}, keywords = {cyclic voltammetry, graphene, Oxidation, supported catalysts, transition metals}, issn = {2192-6506}, doi = {10.1002/cplu.201500053}, author = {Jha, Ajay and Patil, Sagar H. and Solanki, Bhanu P. and Ribeiro, Ana P. C. and Castro, Carlos A. N. and Patil, Kashinath R. and Coronas, Alberto and Rode, Chandrashekhar V.} } @article { ISI:000365222000045, title = {Regioselective and diastereoselective iodocyclization reaction of alkene-thioureas: an efficient approach to bicyclic beta-lactams}, journal = {New Journal of Chemistry}, volume = {39}, number = {12}, year = {2015}, month = {SEP}, pages = {9422-9428}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Bicyclic beta-lactams, i.e. 3-thia-1-dethiacephams, were synthesized via a highly regioselective and diastereoselective iodocyclization reaction of alkene-thioureas with molecular iodine. Furthermore, the structure of 3-thia-1-dethiacepham was confirmed by a chemical method, the dehydrohalogenation reaction using DBU.

}, issn = {1144-0546}, doi = {10.1039/c5nj01963j}, author = {Garud, Dinesh R. and Sonawane, Amol D. and Auti, Jyoti B. and Rode, Navnath D. and Ranpise, Vinod R. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article {43312, title = {Release of a guest by disassembling a capsule through a photo triggering process}, journal = {Organic Letters}, volume = {15}, year = {2015}, month = {JAN}, pages = {4374 - 4377}, author = {Nithyanandhan, Jayaraj and Jagadesan, P. and Samanta, S. R. and Da Silva, J. P. and Ramamurthy, V.} } @article { ISI:000350674400031, title = {Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {10}, year = {2015}, month = {MAR}, pages = {3064-3069}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication depicts an intriguing example of hydrogen-bonding reversal upon introduction of a sulfonamide linkage at the N-terminus of a synthetic reverse-turn peptide motif. The ready availability of two sulfonyl oxygen atoms, as hydrogen-bonding acceptors, combined with the inherent twisted conformation of sulfonamides are seen to act as switches that engage/disengage the hydrogen-bond at the sticky ends/termini.

}, issn = {1477-0520}, doi = {10.1039/c4ob02438a}, author = {Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Nair, Roshna V. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI: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 { ISI:000360934800003, title = {Role of chemical reactivity and transition state modeling for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {JAN}, pages = {638-657}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

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

}, keywords = {fingerprints, intermediates, metabolic pathways, product-like score, reactant-like score, reaction, screening, synthesis, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113135}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu and Tambe, Sanjeev S. and Radhamohan, Deepthi and Kulkarni, Bhaskar D.} } @article { ISI:000354199900018, title = {Role of N-terminal proline in stabilizing the Ant-Pro zipper motif}, journal = {New Journal of Chemistry}, volume = {39}, number = {5}, year = {2015}, month = {MAR}, pages = {3327-3332}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hetero-chiral hybrid peptides of the general sequence (L)alpha beta(D)(n)alpha beta(n) featuring proline (Pro, a constrained alpha-amino acid) and anthranilic acid (Ant, a constrained beta-amino acid) as building blocks, where n = 2, 4 etc., form a three-dimensional zipper-like architecture. These zipper peptides attain stable conformation by balancing the co-operative contribution of two competing non-covalent forces, namely hydrogen bonding and aromatic stacking. However, the selection of the N-terminal residue also stands to be one of the key contributors in stabilising the unusually long-range intramolecular hydrogen bond, featuring 26 atoms in the H-bonded ring observed at the termini. This article deals with the substitution alterations at the N-terminus of the zipper motif and their consequent influences on its structure and stability. In this study, the N-terminal Pro residue of the zipper motif was substituted with a flexible amino acid, alanine, and a constrained acyclic amino acid, 2-aminoisobutyric acid, to investigate the role of N-terminal proline in stabilizing the Ant-Pro zipper motif, and its stabilities were assessed by employing solution-state NMR and restrained MD simulation studies.

}, issn = {1144-0546}, doi = {10.1039/c4nj02151g}, author = {Kheria, Sanjeev and Nair, Roshna V. and Kotmale, Amol S. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000356845000002, title = {Ru-catalyzed redox-neutral cleavage of the N-O bond in isoxazolidines: isatogens to pseudoindoxyls via a one-pot [3+2]-cycloaddition/N-O cleavage}, journal = {Organic Letters}, volume = {17}, number = {12}, year = {2015}, month = {JUN}, pages = {2870-2873}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel metal-catalyzed oxygen atom transfer reaction onto olefins is reported. By taking isatogens as substrates, a one-pot [3 + 2]-cycloaddition of nitrone with olefins followed by the Ru-catalyzed redox-neutral N-O bond cleavage of intermediate isoxazolidine has been executed as a simple method for the synthesis of 2,2-disubstituted pseudoindoxyls.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00837}, author = {Kumar, Chepuri V. Suneel and Ramana, Chepuri V.} } @article { ISI:000365462600036, title = {Ruthenium(II)-catalyzed C3 arylation of 2-aroylbenzofurans with arylboronic acids/aryltrifluoroborates via carbonyl-directed C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {22}, year = {2015}, month = {NOV}, pages = {11551-11558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Ru(II)-catalyzed carbonyl-directed C-H activation with (hetero)arylboron reagents has been executed for the synthesis of 2-aroyl-3-(hetero)arylbenzofurans. A hypothesis founded upon the involvement Of an active carbonatoruthenium(II) complex for a coordinative insertion and the aerobic oxidation of the in situ generated Ru(0) to Ru(II), to continue the catalytic cycle, has been extended.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01932}, author = {Paymode, Dinesh J. and Ramana, Chepuri V.} } @article { ISI:000348358200011, title = {Ruthenium(II)-catalyzed switchable C3-alkylation versus alkenylation with acrylates of 2-pyridylbenzofurans via C-H bond activation}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {1}, year = {2015}, month = {OCT}, pages = {114-117}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We documented an interesting observation of ruthenium (II)-catalyzed benzofuran C-H activation and subsequent functionalization with acrylates that reveals that a simple base can switch the process from alkylation to alkenylation.

}, issn = {2044-4753}, doi = {10.1039/c4cy01268b}, author = {Kommagalla, Yadagiri and Mullapudi, Venkanna Babu and Francis, Fredi and Ramana, Chepuri V.} } @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:000365401700041, title = {Self-assembly of phospholipids on flat supports}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {46}, year = {2015}, month = {OCT}, pages = {31152-31160}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The current study deals with the self-assembly of phospholipids on flat supports using the Martini coarse grain model. We reported here the effect of the hydrophilic and hydrophobic nature of the solid supports on the lipid self-assembly. The hydrophilic and hydrophobic supports were modeled on the basis of water droplet simulations. The present work addresses the self-assembly mechanism of lipids on eight different supports with different strengths of hydrophilicity and hydrophobicity. We demonstrated how interplay between the interactions of lipid and water with the support can guide the lipid self-assembly process. Thereafter, we calculated the energetics of the components of the system to quantify the competitions between water and a lipid head-group with hydrophilic supports. Finally, the properties of the self-assembled bilayers were also analyzed and reported here.

}, issn = {1463-9076}, doi = {10.1039/c5cp03358f}, author = {Mhashal, Anil R. and Roy, Sudip} } @article { ISI:000362964900007, title = {Sequence and structure-based comparative analysis to assess, identify and improve the thermostability of penicillin G acylases}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {42}, number = {11}, year = {2015}, month = {NOV}, pages = {1493-1506}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Penicillin acylases are enzymes employed by the pharmaceutical industry for the manufacture of semi-synthetic penicillins. There is a continuous demand for thermostable and alkalophilic enzymes in such applications. We have carried out a computational analysis of known penicillin G acylases (PGAs) in terms of their thermostable nature using various protein-stabilizing factors. While the presence of disulfide bridges was considered initially to screen putative thermostable PGAs from the database, various other factors such as high arginine to lysine ratio, less content of thermolabile amino acids, presence of proline in beta-turns, more number of ion-pair and other non-bonded interactions were also considered for comparison. A modified consensus approach designed could further identify stabilizing residue positions by site-specific comparison between mesostable and thermostable PGAs. A most likely thermostable enzyme identified from the analysis was PGA from Paracoccus denitrificans (PdPGA). This was cloned, expressed and tested for its thermostable nature using biochemical and biophysical experiments. The consensus site-specific sequence-based approach predicted PdPGA to be more thermostable than Escherichia coli PGA, but not as thermostable as the PGA from Achromobacter xylosoxidans. Experimental data showed that PdPGA was comparatively less thermostable than Achromobacter xylosoxidans PGA, although thermostability factors favored a much higher stability. Despite being mesostable, PdPGA being active and stable at alkaline pH is an advantage. Finally, several residue positions could be identified in PdPGA, which upon mutation selectively could improve the thermostability of the enzyme.

}, keywords = {Alkalistable, beta-lactam antibiotics, Consensus approach, Disulfide bridge, Ion pairs, Penicillin acylase, Thermostability}, issn = {1367-5435}, doi = {10.1007/s10295-015-1690-x}, author = {Panigrahi, Priyabrata and Chand, Deepak and Mukherji, Ruchira and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000353931300023, title = {Shape-selective oriented cerium oxide nanocrystals permit assessment of the effect of the exposed facets on catalytic activity and oxygen storage capacity}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {16}, year = {2015}, month = {APR}, pages = {8545-8555}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The catalytic performance of a range of nanocrystalline CeO2 samples, prepared to have different morphologies, was measured using two accepted indicators; oxygen storage and diesel soot combustion. The same powders were characterized hi detail by HR-TEM, XRD, XPS, and Raman methods. The study demonstrates that activity is determined by the relative fraction of the active crystallographic planes, not by the specific surface area of the powders. The physical study is a step toward quantitative evaluation of the relative contribution to activity of the different facets. The synthetic protocol permits fabrication of CeO2 nanostructures with preferentially grown active planes, and therefore has potential in developing catalytic applications and in nanocompositing.

}, keywords = {ceria, chemical activities, crystal facets, nanocrystals, texture coefficient}, issn = {1944-8244}, doi = {10.1021/acsami.5b00298}, author = {Sreeremya, Thadathil S. and Krishnan, Asha and Remani, Kottayilpadi C. and Patil, Kashinath R. and Brougham, Dermot F. and Ghosh, Swapankumar} } @article { ISI:000364803200006, title = {Silicon incorporated morpholine antifungals: design, synthesis, and biological evaluation}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1111-1116}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

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

}, keywords = {Antifungal drugs, Candida albicans, ergosterol biosynthesis, morpholines, sila-analogues}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00245}, author = {Jachak, Gorakhnath R. and Ramesh, Remya and Sant, Duhita G. and Jorwekar, Shweta U. and Jadhav, Manjusha R. and Tupe, Santosh G. and Deshpande, Mukund V. and Reddy, D. Srinivasa} } @article { ISI:000345054100096, title = {Simple recovery of intracellular gold nanoparticles from peanut seedling roots}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {15}, number = {2}, year = {2015}, month = {FEB}, pages = {1575-1581}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Fabrication of inorganic nanomaterials via a biological route witnesses the formation either extracellularly, intracellulary or both. Whereas extracellular formation of these nanomaterials is cherished owing to their easy and economical extraction and purification processes; the intracellular formation of nanomaterials, due to the lack of a proper recovery protocol has always been dreaded, as the extraction processes used so far were tedious, costly, time consuming and often resulting in very low recovery. The aim of the present study was to overcome the problems related with the extraction and recovery of intracellularly synthesized inorganic nanoparticles, and to devise a method to increasing the output, the shape, size, composition and dispersal of nanoparticles is not altered. Water proved to be much better system as it provided well dispersed, stable gold nanoparticles and higher recovery. This is the first report, where intracellular nanoparticles have been recovered using a very cost-effective and eco-friendly approach.

}, keywords = {gold nanoparticles, Peanut, Recovery, Sonication, Water}, issn = {1533-4880}, doi = {10.1166/jnn.2015.9046}, author = {Raju, D. and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000357808500016, title = {Single-layer graphene-assembled 3D porous carbon composites with PVA and Fe3O4 nano-fillers: an interface-mediated superior dielectric and EMI shielding performance}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {28}, year = {2015}, month = {JUN}, pages = {18353-18363}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this study, a novel composite of Fe3O4 nanofiller-decorated single-layer graphene-assembled porous carbon (SLGAPC) with polyvinyl alcohol (PVA) having flexibility and a density of 0.75 g cm(-3) is explored for its dielectric and electromagnetic interference (EMI) response properties. The composite is prepared by the solution casting method and its constituents are optimized as 15 wt\% SLGAPC and 20 wt\% Fe3O4 through a novel solvent relaxation nuclear magnetic resonance experiment. The PVA-SLGAPC-Fe3O4 composite shows high dielectric permittivity in the range of 1 Hz-10 MHz, enhanced by a factor of 4 as compared to that of the PVA-SLGAPC composite, with a reduced loss by a factor of 2. The temperature dependent dielectric properties reveal the activation energy behaviour with reference to the glass transition temperature (80 degrees C) of PVA. The dielectric hysteresis with the temperature cycle reveals a remnant polarization. The enhanced dielectric properties are suggested to be the result of improvement in the localized polarization of the integrated interface system (Maxwell-Wagner-Sillars (MWS) polarization) formed by the uniform adsorption of Fe3O4 on the surface of SLGAPC conjugated with PVA. The EMI shielding property of the composite with a low thickness of 0.3 mm in the X-band (8.2-12.4 GHz) shows a very impressive shielding efficiency of similar to 15 dB and a specific shielding effectiveness of 20 dB (g cm(-3))(-1), indicating the promising character of this material for flexible EMI shielding applications.

}, issn = {1463-9076}, doi = {10.1039/c5cp02476e}, author = {Rao, B. V. Bhaskara and Yadav, Prasad and Aepuru, Radhamanohar and Panda, H. S. and Ogale, Satishchandra and Kale, S. N.} } @article {45929, title = {Solvent-free carbonylation of glycerol with urea using metal loaded MCM-41 catalysts}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {JAN}, pages = {16452-16460}, type = {Article}, abstract = {

Reacting glycerol with urea is the most attractive option for the production of glycerol carbonate (GC) as it utilizes two inexpensive chemicals readily available in the chemical cycle. The overall result is the chemical fixation of carbon dioxide. A Zn/MCM-41(im) catalyst prepared by a wet impregnation method exhibited excellent activity for the reaction of glycerol and urea with 75\% glycerol conversion and 98\% selectivity to GC. Such excellent activity of the catalyst is explained based on the presence of both basic and acidic sites on the same catalyst which activates the glycerol and urea molecules, respectively.

}, issn = {2046-2069}, doi = {10.1039/c4ra11590b}, author = {Kondawar, S. E. and Potdar, A. S. and Rode, C. V.} } @article { ISI:000348455100007, title = {Spectral analysis of the emission current noise exhibited by few layer WS2 nanosheets emitter}, journal = {Ultramicroscopy}, volume = {149}, year = {2015}, month = {FEB}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Spectral analysis of the field emission (FE) current fluctuations has been carried out at the base pressure similar to 1 x 10(-8) mbar. The emission current stability investigated at preset value of 2 mu A is characterized by {\textquoteleft}step like fluctuation. The spectral analysis performed on a FFT (Fast Fourier Transform) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha as similar to 1.05. The estimated value of alpha implies that the current fluctuations are mainly due the various processes occurring on atomic scale like adsorption, migration, and/or desorption of the residual gas species on the emitter surface. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Current fluctuations, field emission, Noise, WS2 nanosheets}, issn = {0304-3991}, doi = {10.1016/j.ultramic.2014.10.004}, author = {Suryawanshi, Sachin R. and Kolhe, Pankaj S. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000363179900069, title = {Spin-coatable, photopatternable magnetic nanocomposite thin films for MEMS device applications}, journal = {RSC Advances}, volume = {5}, number = {104}, year = {2015}, month = {OCT}, pages = {85741-85747}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra15706d}, author = {Kandpal, Manoj and Sharan, C. and Palaparthy, V. and Tiwary, N. and Poddar, P. and Rao, V. Ramgopal} } @article {43027, title = {Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {DEC}, abstract = {

A new series of spirochromone annulated chalcone conjugates were synthesized and evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain. These compounds were subjected to molecular modeling studies using docking and chemoinformatics based approaches. The docking simulations were performed against a range of known receptors for chalcone derived compounds to reveal MTB phosphotyrosine phosphatase B [MtbPtpB] protein as the most probable target based on the high binding affinity scores. Five compounds exhibit significant inhibition, showing minimum inhibitory concentration values i.e. MIC values ranging from 3.13{\textendash}12.5 μg mL-1. Further analysis of the synthesized compounds with known and in-house developed chemoinformatics tools unequivocally established their potential as anti-tubercular compounds. QSAR modeling revealed a quantitative relationship between biological activities and frontier molecular orbital energies of synthesized compounds. The predictive model can be employed further for virtual screening of new compounds in this series.

}, doi = {10.1039/C5RA21737G}, author = {Mujahid, Mohammad and Perumal, Yogeeswari and Sriram, D. and Basavanag, U. M. V. and D{\i}az-Cervantes, Erik and Cordoba-Bahena, Luis and Robles, Juvencio and Gonnade, Rajesh Ghanshyam and Karthikeyan, Muthukumarasamy and Vyas, Renu and Krishnan, M. Muthu} } @article { ISI:000354067400001, title = {Stable field emission from layered MoS2 nanosheets in high vacuum and observation of 1/f noise}, journal = {Nanomaterials and Nanotechnology}, volume = {5}, year = {2015}, month = {APR}, pages = {10}, publisher = {INTECH EUROPE}, address = {JANEZA TRDINE 9, RIJEKA, 51000, CROATIA}, abstract = {

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

}, keywords = {Electron emission, layered materials, MoS2, Noise measurement, Raman spectroscopy}, issn = {1847-9804}, doi = {10.5772/60071}, author = {Kashid, Ranjit V. and Joag, Pracheetee D. and Thripuranthaka, M. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000361935600025, title = {Star telechelic poly(L-lactide) ionomers}, journal = {Macromolecules}, volume = {48}, number = {18}, year = {2015}, month = {SEP}, pages = {6580-6588}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Poly(L-lactide) (PLA), a biodegradable and biorenewable polymer, has many excellent properties that are equivalent to those of petroleum-derived plastics such as polystyrene, aromatic polyesters, etc. However, a major disadvantage of PLA which limits its processability is its poor melt elasticity. In this work we explore the possibility of improving the viscoelastic properties of PLA melt by incorporating ionic groups on the polymer. Specifically, we demonstrate the synthesis of star telechelic PLA anionomers by a three-step procedure involving synthesis of Star PIA, converting the hydroxyl end groups into carboxylic acid end groups, and finally converting these into ionic groups. Rheology data showed a dramatic increase in the elasticity of the star telechelic ionomer melts relative to the Star PLA melts. The viscoelasticity of star telechelic ionomers melts could be modulated by varying the number of ionic groups per molecule.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b01854}, author = {Kulkarni, Amruta and Lele, Ashish K. and Sivaram, Swaminathan and Rajamohanan, P. R. and Velankar, Sachin and Chatterji, Apratim} } @article { ISI:000363727100011, title = {Structure mediation in substrate binding and post-translational processing of penicillin acylases: Information from mutant structures of Kluyvera citrophila penicillin G acylase}, journal = {Protein Science}, volume = {24}, number = {10}, year = {2015}, month = {OCT}, pages = {1660-1670}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Penicillin acylases are industrially important enzymes for the production of 6-APA, which is used extensively in the synthesis of secondary antibiotics. The enzyme translates into an inactive single chain precursor that subsequently gets processed by the removal of a spacer peptide connecting the chains of the mature active heterodimer. We have cloned the penicillin G acylase from Kluyvera citrophila (KcPGA) and prepared two mutants by site-directed mutagenesis. Replacement of N-terminal serine of the beta-subunit with cysteine (Ser beta 1Cys) resulted in a fully processed but inactive enzyme. The second mutant in which this serine is replaced by glycine (Ser beta 1Gly) remained in the unprocessed and inactive form. The crystals of both mutants belonged to space group P1 with four molecules in the asymmetric unit. The three-dimensional structures of these mutants were refined at resolutions 2.8 and 2.5 angstrom, respectively. Comparison of these structures with similar structures of Escherichia coli PGA (EcPGA) revealed various conformational changes that lead to autocatalytic processing and consequent removal of the spacer peptide. The large displacements of residues such as Arg168 and Arg477 toward the N-terminal cleavage site of the spacer peptide or the conformational changes of Arg145 and Phe146 near the active site in these structures suggested probable steps in the processing dynamics. A comparison between the structures of the processed Serb1Cys mutant and that of the processed form of EcPGA showed conformational differences in residues Arg alpha 145, Phe alpha 146, and Phe beta 24 at the substrate binding pocket. Three conformational transitions of Arg alpha 145 and Phe alpha 146 residues were seen when processed and unprocessed forms of KcPGA were compared with the substrate bound structure of EcPGA. Structure mediation in activity difference between KcPGA and EcPGA toward acyl homoserine lactone (AHL) is elucidated.

}, keywords = {acyl homoserine lactone, autocatalytic processing, conformational changes, KcPGA_Ser beta 1Cys, KcPGA_Ser beta 1Gly, Ntn hydrolase}, issn = {0961-8368}, doi = {10.1002/pro.2761}, author = {Chand, Deepak and Varshney, NishantKumar and Ramasamy, Sureshkumar and Panigrahi, Priyabrata and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article { ISI:000355893400034, title = {Structure of nanorod assembly in the gyroid phase of diblock copolymer}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {22}, year = {2015}, month = {JUN}, pages = {6803-6812}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Diblock copolymers undergo microphase separation to form various microstructures, for example, lamellar, gyroid, cylindrical, cubic phases depending on compostion and segregation strength (Flory-Huggins parameter chi). Thus, it can act as template to organize doped nanomaterials into different 3D self-assembled structures located within the block copolymer matrix. Gyroid phase is One of the microstructures formed by block copolymer. It has a curved interfacial surface providing confinements throughout the matrix and thus can regulate the shape and sizes of self-assembled nanorods doped in it. Mesoscale simulation of model systems has been performed to explore the structure and dynamics of self-assembly of bundles formed by nanorods of different flexibilities in the gyroid phase of diblock copolymer matrix. Bundles of different shapes and sizes have been found to be formed depending on the nanorod bending flexibility and copolymer-nanorod interactions. The shape anisotropy (kappa(2)) and radius of gyration (R-g(2)) of bundles situated at different interfacial confining locations of block copolymer-matrices have been investigated as a function of nanorod flexibility and nanorod-diblock copolymer miscibility.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b01338}, author = {Chakraborty, Souvik and Roy, Sudip} } @article { ISI:000364885800006, title = {Studies toward the total synthesis of cytospolide E}, journal = {Tetrahedron}, volume = {71}, number = {48}, year = {2015}, month = {DEC}, pages = {9088-9094}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this manuscript, we describe various approaches that we have examined towards the total synthesis of Cytospolide E. We initially attempted the RCM approach employing first and second generation Grubbs and Grubbs-Hoyeda catalysts resulting in the exclusive synthesis of the Z-isomer of Cytospolide E. With the Furstner catalyst, the dimerization involving the less hindered olefin was the exclusive event. Alternative approach documented is a successful cross-metathesis leading to a seco-acid with the requisite E-configuration and undesired macrodiolide formation during the attempted Shiina{\textquoteright}s lactonization. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {20-Membered macrodiolide, Nonenolide, Ring closing metathesis, Shiina lactonization, Yamaguchi esterification}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.10.018}, author = {Vadhadiya, Paresh M. and Rout, Jeetendra K. and Ramana, C. V.} } @article { ISI:000349667700031, title = {Surface-modified single wall carbon nanohorn as an effective electrocatalyst for platinum-free fuel cell cathodes}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {8}, year = {2015}, month = {JAN}, pages = {4361-4367}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Platinum (Pt) and its alloys are routinely used in the cathodes of polymer electrolyte membrane fuel cells (PEMFCs) due to their high electrocatalytic activity in oxygen reduction reactions (ORRs). A variety of alternative materials have been examined as alternatives to Pt, but most of these had low activity and their performance deteriorated even further in use. In the present study an alternate electrocatalyst has been examined, obtained by a simple surface modification of single-walled carbon nanohorns by simultaneous doping with Fe and N at 900 degrees C (FeNCNH-900). This had an ORR activity superior to that of 40 wt\% Pt on carbon (Pt/C). Compared to Pt/C, FeNCNH-900 gave a 30 mV improvement in onset potential and a 20 mV gain in half-wave potential in an ORR. Its high activity is the result of the simultaneous modulation achieved by the high surface area and the microporosity of carbon nanohorns, together with the establishment of the desired nitrogen-iron coordinated pyrrolic active centres. The catalyst showed excellent electrochemical stability and, most notably, its ORR activity was still increasing after 1000 cycles. Single-cell fuel cell performance using FeNCNH-900 as cathode catalyst showed a maximum power density of 35 mW cm(-2) under alkaline conditions.

}, issn = {2050-7488}, doi = {10.1039/c4ta05092d}, author = {Unni, SreeKuttan M. and Ramadas, Sarath and Illathvalappil, Rajith and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article { ISI:000346263800042, title = {Synthesis and characterization of PEPO grafted carboxymethyl guar and carboxymethyl tamarind as new thermo-associating polymers}, journal = {Carbohydrate Polymers}, volume = {117}, year = {2015}, month = {MAR}, pages = {331-338}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

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

}, keywords = {Carboxymethyl guar, Carboxymethyl tamarind, Pluronics, Rheology, Solution behavior, Thermo-associating polymers}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.09.073}, author = {Gupta, Nivika R. and Torris, Arun A. T. and Wadgaonkar, Prakash P. and Rajamohanan, P. R. and Ducouret, Guylaine and Hourdet, Dominique and Creton, Costantino and Badiger, Manohar V.} } @article { ISI:000363841700011, title = {Synthesis and characterization of thermotropic liquid crystalline polyimides}, journal = {Bulletin of Materials Science}, volume = {38}, number = {6}, year = {2015}, month = {OCT}, pages = {1553-1559}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Non-symmetrical and linear dyad-based mesogens were synthesised containing imine or ester bridging group. In the present work, due to the absence of branching in diamine-based mesogen, the structure has-rigidity inversely imine/ester bridging groups between two benzene rings imparts-flexible property to the mesogen and consequently rigid-flexible property has been balanced. The synthesised mesogens were characterized by different techniques including nuclear magnetic resonance and Fourier transform infrared spectroscopy. Liquid crystalline polymers (LCPs) were synthesised using pyromellitic dianhydride and 4-[(4-aminobenzylidene)amino]aniline or 4-aminophenyl-4-aminobenzoate. Subsequently, thermotropic liquid crystalline polymers (TLCPs) have also been evaluated to obtain optical microscopy textures at different temperatures which demonstrated interesting and notable changes. It is worth noting that marble-like textures were observed upto 200A degrees C.

}, keywords = {Diamine, liquid crystalline polymer, mesogen, optical microscopy textures, pyromellitic dianhydride}, issn = {0250-4707}, doi = {10.1007/s12034-015-0975-z}, author = {Mane, Sachin and Rajan, C. R. and Ponrathnam, Surendra and Chavan, Nayaku} } @article { ISI:000367546300012, title = {Synthesis, crystal structure and in vitro DNA binding studies of combretastatin A-4 analogue}, journal = {Croatica Chemica Acta}, volume = {88}, number = {3}, year = {2015}, month = {DEC}, pages = {289-296}, publisher = {CROATIAN CHEMICAL SOC}, address = {MARULICEV TRG 19/II, 41001 ZAGREB, CROATIA}, abstract = {

Synthesis of a novel Combretastatin A-4 analogue using Schiff{\textquoteright}s reaction of benzil and 4-aminoantipyrine has been achieved under solvent free conditions. The structure of compound was examined spectroscopically and confirmed from single crystal diffraction studies. The synthesized Combretastatin A-4 analogue was investigated for its DNA binding ability as the plausible mechanism for its antitumor activity. The binding propensity of the synthesized compound with calf-thymus (CT) DNA was monitored with absorption and emission spectrophotometric titrations. The calculations predict a binding constant of 7.24 x 10(4) for the complex of the synthesized compound with CT DNA which is comparable in magnitude to that of DNA binding of bactericidal drug enoxacin and typical intercalation indicator ethidium bromide (EB). Competitive binding studies of the synthesized compound with EB using fluorescence titration reveal that it displaces the DNA-bound EB and binds in intercalative mode which was further supported by circular dichroism (CD) spectroscopy. The probable site and binding energy of the compound with DNA was further theoretically investigated by molecular docking studies. The significant DNA binding ability of the synthesized Combretastatin A4 analogue as revealed from this study could be related to the anticancer activity of the Combretastatin A4.

}, keywords = {benzil, bio-physical, combretastatin A-4, crystal structure, DNA binding, ethidium bromide, fluorescence, phenazones}, issn = {0011-1643}, doi = {10.5562/cca2662}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Yaseen, Zahid and Gupta, Vivek and Khan, Khaliquz Zaman} } @article { ISI: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:000356927800001, title = {Synthesis of novel N-cyclopentenyl-lactams using the aube reaction}, journal = {Beilstein Journal of Organic Chemistry}, volume = {11}, year = {2015}, month = {JUN}, pages = {1060-1067}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

A novel and convenient method utilizing the Aube reaction to access a new class of compounds that are similar to carbocyclic nucleosides is reported. The azido alcohol derived from Vince lactam undergoes the Aube reaction with various cyclic ketones to give cyclopentenyl-substituted lactams. Upon dihydroxylation, this affords the N-cyclopentenyl-lactam compounds in racemic form. Given the numerous uses of nucleosides and related compounds, we were interested in the synthesis of carbocylic nucleoside mimics. The attempts and results are described herein.

}, keywords = {Aube reaction, Biological activity, carbocyclic nucleosides, cyclopentenylated lactams, cyclopentylated lactams}, issn = {1860-5397}, doi = {10.3762/bjoc.11.119}, author = {Shinde, Madhuri V. and Ople, Rohini S. and Sangtani, Ekta and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000350698600007, title = {Synthesis of novel silica-polyimide nanocomposite films using aromatic-amino modified silica nanoparticles: mechanical, thermal and morphological investigations}, journal = {Express Polymer Letters}, volume = {9}, number = {5}, year = {2015}, month = {MAY}, pages = {469-479}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {

Silica nanoparticles were modified with aromatic amino groups and modified-silica/polyimide composite films were prepared using them. 3,3!, 4,4!-Benzophenone tetracarboxylic dianhydride (BTDA) and 4,4!-oxydianiline (ODA) were used as precursors for polyimide matrix. The structures of the modified nanoparticles and hybrid nanocomposites were identified using Fourier Transform Infrared (FTIR) spectrometry. The hybrid composite films were evaluated for mechanical, thermal and morphological characteristics. Morphological results describe a uniform dispersion of silica particles in the polymer matrix. The thermal stability and mechanical properties of polyimide composite were improved, and the decomposition temperature was increased when the amount of silica nanoparticles was increased.

}, keywords = {hybrid polyimide composites, mechanical properties, Nanocomposites, nanoparticle modification, Thermal properties}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2015.44}, author = {Ghorpade, Ravindra V. and Rajan, C. R. and Chavan, Nayaku and Ponrathnam, S.} } @article { ISI:000350754400004, title = {Target cum flexibility: synthesis of indolo[1,2-b]isoquinoline derivatives via cobalt-catalyzed [2+2+2] cyclotrimerization}, journal = {Synlett}, volume = {26}, number = {5}, year = {2015}, month = {MAR}, pages = {604-608}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A modular approach for the synthesis of small molecules having the unnatural 6,11-dihydroindolo[1,2-b]isoquinoline tetracyclic core has been documented. An acid-catalyzed Friedel-Crafts-type C2-alkylation of N-propargyl indole with a suitably activated alkynol has been used to prepare the key indole-derived diynes. The cobalt-catalyzed [2+2+2] cyclotrimerization of these diynes has been studied with various internal/terminal alkynes and with nitriles.

}, keywords = {2-b]-isoquinoline, cobalt, Indole, indolo[1, Pyridine, [2+2+2] cyclotrimerization}, issn = {0936-5214}, doi = {10.1055/s-0034-1379950}, author = {Swami, Anuradha and Ramana, Chepuri V.} } @article { ISI:000362437900092, title = {Targeting a chemorefractory COLO205 (BRAF V600E) cell line using substituted benzo[alpha]phenoxazines}, journal = {RSC Advances}, volume = {5}, number = {100}, year = {2015}, month = {SEP}, pages = {82549-82563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mutational activations of the oncogene BRAF (especially BRAF V600E) result in a poor prognosis for colon cancer patients and are associated with chemoresistance rendering them refractory to treatment. The development of novel bioactive compounds with specific targeting abilities under such conditions is an urgent need in drug discovery. In this report we synthesize and characterize three fluorescent benzo[alpha]phenoxazine compounds (10R-benzo[alpha]phenoxazine-5-one, 1B; R = Cl, 2B; R = CH3, 3B; R = H) and their anticancer activities are evaluated in a COLO205 cell line. All three compounds with a log P value around 2 were cell permeable. However, 2B and 3B showed specific cytotoxicity in a malignant COLO205 cell line with a BRAF mutation (V600E) in comparison to a non-malignant wild-type BRAF HEK293T cell line. From further cell-based assays (cell cycle analysis, DNA fragmentation and caspase activation), we conclude that 2B and 3B treatment-induced selective cell death by inducing cell cycle arrest at the G0/G1 phase and caspase-mediated apoptosis (activation of the intrinsic and extrinsic pathways) are present only in BRAF V600E COLO205 cells. Further studies in the drug discovery pipeline might help develop these benzo[alpha]phenoxazines as promising chemotherapeutics for such refractory mutated cancers.

}, issn = {2046-2069}, doi = {10.1039/c5ra14949e}, author = {Pal, Sanjima and Konkimalla, V. Badireenath and Kathawate, Laxmi and Rao, Soniya S. and Gejji, Shridhar P. and Puranik, Vedavati G. and Weyhermueller, Thomas and Salunke-Gawali, Sunita} } @article { ISI: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: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:000352463200009, title = {Total synthesis and structural revision of mycalol, an anticancer natural product from the marine source}, journal = {Organic Letters}, volume = {17}, number = {7}, year = {2015}, month = {APR}, pages = {1652-1655}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The total synthesis of an anticancer (anaplastic thyroid) natural lipid mycalol has been accomplished for the first time. Synthesis of originally proposed structure necessitated the revision of structure in which the position of acetate group moved from C20 to C19 and a change in stereochemistry of the glycerol unit.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00345}, author = {Seetharamsingh, B. and Rajamohanan, P. R. and Reddy, D. Srinivasa} } @article { ISI:000356549600021, title = {Total synthesis of (+)-petromyroxol}, journal = {Tetrahedron Letters}, volume = {56}, number = {25}, year = {2015}, month = {JUN}, pages = {3933-3935}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The total synthesis of (+)-petromyroxol establishing its absolute configuration has been accomplished. The strategy developed employs easily accessible carbohydrate building blocks and comprises flexible and scalable chemistry that allowed the synthesis of (+)-petromyroxol along with its three diastereomers varying the stereochemistry mainly at C5 and/or C6. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Glucose diacetonide, Petromyroxol, Pheromone, Sea Lamprey, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.129}, author = {Mullapudi, Venkanna Babu and Ramana, Chepuri V.} } @article { ISI:000352463200027, title = {Total synthesis of sinenside A}, journal = {Organic Letters}, volume = {17}, number = {7}, year = {2015}, month = {APR}, pages = {1724-1727}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of norlignan glucoside sinenside A has been accomplished. An intramolecular acetalization reaction has been employed as the key skeletal construct to forge the central cyclic disaccharide core. The trans-1,2-diol configuration present in the cyclic disaccharide of this natural product is unique and has been addressed by setting this configuration at the beginning. A 1,2-orthoester group has been selected as a handle for both sp glycosidation and for differentiation of the C2{\textquoteright}-OH (that participates in the key acetalization reaction) of the sugar unit.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00505}, author = {Vadhadiya, Paresh M. and Ramana, Chepuri V.} } @article { ISI:000355656000012, title = {Tuning magnetic behavior of nanoscale cobalt sulfide and its nanocomposite with an engineering thermoplastic}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2308-2311}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Nanocomposites containing magnetic nanoparticles embedded in a polymer matrix with good thermal stability (up to 200A degrees C) are technologically important. We report an environmentally benign solid-solid approach for synthesis of cobalt sulfide and its nanocomposite using a thermally stable matrix of polyphenylene sulfide. Physicochemical characterizations reveal the formation of nanoclusters of the hexagonal phase CoS. Even though bulk CoS is nonmagnetic, magnetization studies exhibit anomalous magnetic behavior for phase-pure nanoscale CoS and its nanocomposites.

}, keywords = {Nanocomposite, polyphenylene sulfide, Solid-solid reaction, superparamagnetic}, issn = {0361-5235}, doi = {10.1007/s11664-015-3753-1}, author = {Rumale, Narendra and Arbuj, Sudhir S. and Umarji, Govind and Shinde, Manish and Mulik, Uttam P. and Joy, Pattayil Alias and Amalnerkar, Dinesh P.} } @conference {45944, title = {Two phase flow boiling pressure drop in small channels}, booktitle = {IUTAM Symposium on multiphase flows with phase change: challenges and opportunities}, year = {2015}, month = {DEC}, publisher = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, organization = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, address = {SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two-phase pressure drop, flow instability and boiling regime identifications are an essential step in the design of a variety of plant in the power and process industries. Despite the wide spread applications, significant experimental data on flow boiling in small channel is not available. In the present work, experimental set-up was designed for studying boiling flows in 19 mm ID tube and identifies flow regimes at various mass and heat flux conditions by varying inlet fluid temperature. The steady-state pressure data was collected and flow regimes identified using pressure drop and pressure fluctuations inside the channel. (C) 2015 The Authors. Published by Elsevier B.V.

}, keywords = {flow boiling, flow instability, pressure drop, regime identification}, doi = {10.1016/j.piutam.2015.04.044}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.}, editor = {Sahu, KC} } @article { ISI:000355360200058, title = {Vitellibacter nionensis sp nov., isolated from a shallow water hydrothermal vent}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {2}, year = {2015}, month = {FEB}, pages = {692-697}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel, Gram-stain-negative, non-motile, rod-shaped yellow bacterium, designated VBW088(T) was isolated from a shallow water hydrothermal vent in Espalamaca in the Azores. Phylogenetic analysis based on 16S rRNA gene sequences showed that strain VBW088(T) clustered with three type strains of species of the genus Vitellibacter and exhibited a sequence similarity of 97.3\% with Vitellibacter soesokkakensis RSSK-12(T). However, strain VBW088(T) and V. soesokkakensis RSSK-12(T) exhibited low DNA-DNA relatedness (12.7 +/- 3.5 \%). Strain VBW088(T) was positive for catalase and oxidase. Growth occurred at 10-37 degrees C, with the optimum at 80 degrees C, and at pH 6.0-8.0 (optimum pH 6.0) and in up to 5\% (w/v) NaCl with optimum growth at 1-2\% (w/v) NaCl. The major fatty acids (\>10\%) were iso-C-15:0 (33.5\%) and iso-C-17:0 3-OH (32.0\%). The polar lipids detected in strain VBW088(T) consisted of phosphatidylethanolamine, one unidentified aminolipid and three unidentified phospholipids. The DNA G+C content of strain VBW088(T) was 36.7 mol\%. On the basis of phylogenetic inference, DNA-DNA relatedness, chemotaxonomic analysis and physiological data, the isolate represents a novel species of the genus Vitellibacter, for which the name Vitellibacter nionensis sp. nov. is proposed, with the type strain as VBW088(T). (=KCTC 32420(T)=MCC 2354(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.070805-0}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000350194500001, title = {Void fraction measurement using electrical capacitance tomography and high speed photography}, journal = {Chemical Engineering Research \& Design}, volume = {94}, year = {2015}, month = {FEB}, pages = {1-11}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Gas-liquid flows are encountered in variety of industrial applications including boilers, distillation towers, chemical reactors, oil pipelines, nuclear reactors etc. The measurement of two-phase flow parameters such as flow regime and void fraction is considerably important and play an important role in characterization of the hydrodynamic behavior of such gas-liquid two phase systems. The void fraction is a dimensionless quantity and is often termed as {\textquoteleft}{\textquoteleft}holdup or fraction{\textquoteright}{\textquoteright} in two-phase flows. According to industrial applications; it is essential to develop measurement technique for void fraction measurement which can work in hot and opaque systems. Therefore, an attempt was made here to establish electrical capacitance tomography (ECT) facility for measuring void fraction and flow regimes as well as develop suitable data processing methodologies. In the present work, focus was to measure void fraction using ECT technique and compares it with conventional and high speed photography technique. Therefore, that will give guidelines of using ECT technique for hot and opaque systems like boiling flows. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier BM. All rights reserved.

}, keywords = {ECT, Flow regimes, Two phase flow, Void fraction}, issn = {0263-8762}, doi = {10.1016/j.cherd.2014.11.013}, author = {Sardeshpande, Madhavi V. and Harinarayan, Sagar and Ranade, Vivek V.} } @article {43630, title = {3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {SEP}, pages = {9205-9210}, abstract = {This paper describes the consequences of incorporating a constrained heterocyclic aromatic b-amino acid 3-aminothiophenecarboxylic acid (3-Atc) into peptides containing beta-turn forming elements such as Pro-Gly motif and the effect on the secondary structural architecture of the entire peptide backbone. Conformational investigations of oligomers comprising an alpha,beta,alpha peptide sequence were carried out by single-crystal X-ray diffraction, solution-state NMR, nOe-restrained MD simulation and circular dichroism studies. The results suggested that these peptide sequences assume helical architecture. The helical folding in the oligomers was found to be devoid of inter-residual H-bonding, instead found to be stabilized by a co-operative effect of 6-membered H-bonding within the 3-Atc unit and conformational restrictions of individual amino acids in the peptide backbone.}, doi = {10.1039/c6nj01667g}, author = {Ingole, Tukaram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000372335600061, title = {Actinorectispora indica gen. nov., sp nov isolated from soil, a member of the family pseudonocardiaceae}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {66}, number = {2}, year = {2016}, month = {FEB}, pages = {939-945}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

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

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000814}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Al Ruwaili, Jamal and Hozzein, Wael N. and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article { ISI:000373747700077, title = {Additive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly}, journal = {Crystal Growth \& Design}, volume = {16}, number = {4}, year = {2016}, month = {APR}, pages = {2416-2428}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00204}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Kotmale, Amol and Sangtani, Ekta and Joshi, Pranaya V. and Ahmed, Awais and Mane, Manoj V. and Das, Susanta and Vanka, Kumar and Rajamohanan, Pattuparambil R. and Puranik, Vedavati G. and Gonnade, Rajesh G.} } @article { ISI:000374436900038, title = {Alkyne [2+2+2]-cyclotrimerization approach for synthesis of 6,7-cyclopropylallocolchicinoids}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {8}, year = {2016}, month = {APR}, pages = {3400-3406}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Employing a cobalt-catalyzed [2 + 2 + 2] alkyne cyclotrimerization as the final step, the short and efficient synthesis of cyclopropylallocolchicinoid and its analogues having functional group variations at C9 and/or C10 and C11 of ring C has been accomplished.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00020}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000369572000024, title = {Angiotensin II analogs comprised of pro-amb (gamma-turn scaffold) as angiotensin II type 2 (AT(2)) receptor agonists}, journal = {Chemical Communications}, volume = {52}, number = {8}, year = {2016}, month = {NOV}, pages = {1645-1648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We describe herein the design, synthesis and conformational investigation of Pro-Amb (proline-3-amino-2-methoxybenzoic acid) incorporated Angiotensin II and its truncated analogues. Solution-state NMR and CD studies suggest gamma-turn-like conformation in Pro-Amb analogs in aqueous solution. Furthermore, Pro-Amb analogs have been shown to act as AT(2) receptor agonists.

}, issn = {1359-7345}, doi = {10.1039/c5cc09687a}, author = {Jedhe, Ganesh S. and Kotmale, Amol S. and Rajamohanan, Pattuparambil R. and Pasha, Santosh and Sanjayan, Gangadhar J.} } @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 {45836, title = {Atomically thin WS2 nanosheets based gas sensor}, journal = {Sensor Letters}, volume = {14}, year = {2016}, month = {DEC}, pages = {1249-1254}, type = {Article}, abstract = {We report here the UV light and NO2 gas sensing properties of atomically thin few-layered WS2 nanosheets synthesized by a simple hydrothermal method. For the UV sensor, the response time was observed to be <15 s whereas the recovery time was <56 s. The Few layered WS2 nanosheets sensor devices were also tested for different concentration of NO2 gas at room temperature and 100 {\textdegree}C. The response time was observed to be <60 s whereas recovery time was >10 min. Further, the response and recovery time can be shortened by UV illumination or by removing the absorbed gas by heating the device at higher temperature. Our results open up the new avenues for gas sensors based on two-dimensional inorganic layered materials. }, doi = {10.1166/sl.2016.3764}, author = {Late, D. J. and Kanawade, R. V. and Kannan, P. K. and Rout, C. S.} } @inbook {45837, title = {Balancing omega-6: Omega-3 ratios in oilseeds}, booktitle = {Omega-3 fatty acids: keys to nutritional health}, year = {2016}, pages = {203-220}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, abstract = {Fats and oils are the essential constituents of human diet, and nearly 80 \% of these are obtained from plants. The predominant fatty acids present in plant oils are saturated and unsaturated compounds with straight aliphatic chains of carbon atoms and a single carboxyl group. Depending on the position of the first double bond from the methyl end in the fatty acyl chain, the mono- and polyunsaturated fatty acids can be denoted as -9, -6, or -3. Excess consumption of -6 fatty acids has greatly and unfavorably increased the -6: -3 ratio up to 25:1, which is associated with prevalence of many negative health effects, including cardiovascular diseases, cancer, osteoporosis, and inflammatory and autoimmune diseases. Because the -3 fatty acids (FAs) are the precursors for synthesis of anti-inflammatory eicosanoids, balancing the -6: -3 ratio is vital. The easiest approach to achieve this would be consumption of oils rich in -3 FAs, such as linseed oil. Alternatively, the fatty acid biosynthetic pathway in plants producing high -6 FAs can be altered by biotechnological means, so that they produce higher proportion of -3 FAs. This chapter describes the current knowledge of the fatty acid biosynthesis pathway in plants, including the genes involved, their temporal and spatial expression patterns, and various fluxes that they drive. The choice of oilseeds, genes, and promoters for modulating the fatty acid biosynthesis flux from -6 to -3 fatty acids is also dealt with. The potential hurdles in achieving these and possible solutions have also been described.}, doi = {10.1007/978-3-319-40458-5_15}, author = {Chirmade, T. P. and Sanghi, S. and Rajwade, A .V. and Gupta, V. S. and Kadoo, N. Y.} } @article { 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 {43634, title = {Biosynthesis of fluorescent Bi2S3 nanoparticles and their application as dual-functionSPECT-CT probe for animal imaging}, journal = {Current Topics In Medicinal Chemistry}, volume = {16}, year = {2016}, month = {OCT}, pages = {2019-2025}, abstract = {Bismuth sulphide (Bi2S3) is an excellent semiconductor and its nanoparticles have numerous significant applications including photovoltaic materials, photodiode arrays, bio-imaging, etc. Nevertheless, these nanoparticles when fabricated by chemical and physical routes tend to easily aggregate in colloidal solutions, are eco-unfriendly, cumbrous and very broad in size distribution. The aim of the present manuscript was to ecologically fabricate water dispersible, safe and stable Bi2S3 nanoparticles such that these may find use in animal imaging, diagnostics, cell labeling and other biomedical applications. Herein, we for the first time have biosynthesized highly fluorescent, natural protein capped Bi2S3 nanoparticles by subjecting the fungus Fusarium oxysporum to bismuth nitrate pentahydrate [Bi(NO3)(3).5H(2)O] alongwith sodium sulphite (Na2SO3) as precursor salts under ambient conditions of temperature, pressure and pH. The nanoparticles were completely characterized using recognized standard techniques. These natural protein capped Bi2S3 nanoparticles are quasi-spherical in shape with an average particle size of 15 nm, maintain long term stability and show semiconductor behavior having blue shift with a band gap of 3.04 eV. Semiconductor nanocrystals are fundamentally much more fluorescent than the toxic fluorescent chemical compounds (fluorophores) which are presently largely employed in imaging, immunohistochemistry, biochemistry, etc. Biologically fabricated fluorescent nanoparticles may replace organic fluorophores and aid in rapid development of biomedical nanotechnology. Thus, biodistribution study of the so-formed Bi2S3 nanoparticles in male Sprague Dawley rats was done by radiolabelling with Technitium-99m (Tc-99m) and clearance time from blood was calculated. The nanoparticles were then employed in SPECT-CT probe for animal imaging where these imparted iodine equivalent contrast.}, doi = {10.2174/1568026616666160215155347}, author = {Uddin, Imran and Ahmad, Absar and Siddiqui, Ejaz Ahmad and Rahaman, Sk. Hasanur and Gambhir, Sanjay} } @article {43603, title = {Cascade synthesis of 2-cyanoacrylamides through deacetalization and/or knoevenagelcondensation followed by selective monohydration of acetals and aldehydes over solid acidferrites}, journal = {Chemcatchem}, volume = {8}, year = {2016}, month = {AUG}, pages = {2678-2687}, abstract = {A new protocol of cascade synthesis for biologically active 2-cyanoacrylamides (1) was developed. The reaction proceeds over a novel magnetically retrievable solid-acid composite of iron oxide, poly(vinylpyrrolidone) and phosphotungstic acid (Fe3O4/PVP-PWA) in AcOH-H2O medium under reflux conditions. This transformation is facilitated through single-site Bronsted acid catalyzed cascade reactions involving deacetalization and/or Knoevenagel condensation followed by selective monohydration of nitriles starting from acetals (5) and aldehydes (2) with malononitrile (3). A series of aldehydes, dimethyl and diethyl acetals, along with some heterocyclic aldehydes were successfully transformed to 2-cyanoacrylamides with >95\% yields. TEM images confirmed the coating of the PVP over nanosized Fe3O4. Stereoselective monohydration of 2-benzylidenemalononitriles (4) to E isomers was demonstrated by NOESY experiments. The catalyst could be efficiently recycled seven times on employment of both acetals and aldehydes as substrates, as a result of its magnetic nature.}, doi = {10.1002/cctc.201600426}, author = {Kamble, Sumit B. and Rode, Chandrashekhar V.} } @inbook {45841, title = {Catalysis and catalytic processes}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {1-14}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {Catalytic reactions are ubiquitous in chemical and allied industries. A homogeneous or heterogeneous catalyst that provides an alternative route of reaction with lower activation energy and better control of selectivity can make a substantial impact on process viability and economics. In this chapter, the basics of catalysis and catalytic processes are introduced. Some aspects of reaction and reactor engineering required to realize catalytic processes in practice are also discussed. In addition, the organization of the book is outlined. }, doi = {10.1016/B978-0-12-801457-8.00001-X}, author = {Ranade, V. V. and Joshi, S. S.} } @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} } @inbook {45844, title = {Catalytic reaction engineering}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {263-314}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {hemical reaction engineering has contributed remarkably in bringing laboratory-developed chemistry into commercial practice. Reaction engineering is useful for analysis of reactions, identifying rate-limiting steps, determining overall rates, selection of reactor configuration and design and scale-up of reactors. Reaction engineering also provides useful insights into catalytic cycles and provides clues for improving catalyst systems. It essentially includes all the activities necessary to evolve best possible hardware and operating protocol for the reactor to carry out the desired transformation of raw materials (or reactants) into value-added products. This chapter provides an overview of reaction engineering aspects of catalytic processes.}, doi = {10.1016/B978-0-12-801457-8.00007-0}, author = {Gunjal, P. R. and Ranade, V. V.} } @article {45845, title = {Cetyl alcohol and oleic acid sophorolipids exhibit anticancer activity}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {8}, year = {2016}, month = {FEB}, pages = {399-402}, type = {Article}, abstract = {Objective: Sophorolipids (SLs) are glycolipid biosurfactants that have been shown to have anticancer activity. We investigated the anti-cancer activity of cetyl alcohol sophorolipids (CAS) and oleic acid sophorolipids (OAS) in breast cancer (MCF-7, MDA-MB-231), cervical cancer (SiHa, HeLa) and non-cancerous (HaCaT and RAW264.7) cell lines. Methods: For cell viability assay, MCF-7, MDA-MB-231, SiHa, HeLa, HaCaT and RAW264.7 cell lines were treated with different concentrations (0-160 μg/ml) of OAS and CAS for 24h. The cell viability was determined by MTT dye uptake method. Cell proliferation assay was determined by using trypan blue dye exclusion method. Results: Our preliminary data shows that compared to OAS, CAS exhibited more significant reduction in the viability of MCF-7, MDA-MB-231 and SiHa. However, compared to CAS, OAS induced more decrease in viability in HeLa cells. Interestingly, both the types of SLs did not affect the viability of non-cancerous cells. Moreover, CAS, when used as a coating material, induced proliferation in macrophage cell line, RAW264.7. Conclusion: The present study provides an important clue towards the anti-cancer potential of OAS and CAS derived from Candida bombicola. Interestingly, the ability of CAS to promote the proliferation of non-cancerous cells suggests its future application as a scaffold for enhancing the adhesion and proliferation of normal cells.}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-84959564023\&partnerID=40\&md5=54a0f06b61b63c66744a7580e4e091d6}, author = {Dubey, P. and Raina, P. and Prabhune, A. and Kaul-Ghanekar, R.} } @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.} } @conference {45847, title = {Characterizing flow and solid suspension in optimax crystallization workstation}, booktitle = {North American Mixing Forum 2016 - Core Programming Area at the 2016 AIChE Annual Meeting}, year = {2016}, month = {NOV}, publisher = {AIChE}, organization = {AIChE}, address = {San Francisco; United States}, isbn = {978-151083442-2}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85019102692\&origin=inward\&txGid=820eae9eac7a8eac5ea31078647c0e4f}, author = {Sardeshpande, M. and Pandit, A. and Vedantam, S. and Ranade, V. V.} } @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 {43423, title = {Chord length distribution to particle size distribution}, journal = {AICHE Journal}, volume = {62}, year = {2016}, month = {DEC}, pages = {4215-4228}, abstract = {A simple model is presented to extract the particle size distribution (PSD) from the chord length distribution measured using a focused beam reflectance measurement probe. The model can be implemented using simple spread sheeting tools and does not require the description of additional parameters as opposed to previous models. The model was validated for two systems consisting of spherical ceramic beads by comparing model predicted PSD against the PSD obtained through image analysis (IA). Then, the model was evaluated by considering various systems consisting of irregularly shaped particles (sand/zinc dust/plasma alumina). Model predictions accurately predicted the mean but over-predicted the variance of the PSD in comparison with the PSD obtained from IA. However, overall, a reasonable agreement was observed. Finally, the model was shown to be accurate in predicting PSD in comparison with the measured PSD for systems of practical relevance such as for paracetamol and p-aminophenol crystals. (c) 2016 American Institute of Chemical Engineers AIChE J, 62: 4215-4228, 2016}, doi = {10.1002/aic.15338}, author = {Pandit, Ajinkya V. and Ranade, Vivek V.} } @article { ISI:000379369800003, title = {Chromium free high temperature water-gas shift catalyst for the production of hydrogen from waste derived synthesis gas}, journal = {Applied Catalysis A-General}, volume = {522}, year = {2016}, month = {JUL}, pages = {21-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A comparative study between monometallic (Me-CeO2, Me =Zn, Cu, Fe and Co) and Ni-doped bimetallic (Me-Ni-CeO2) catalysts has been performed in the high temperature water-gas shift (HT-WGS) reaction using waste derived synthesis gas. Experimental results revealed that Me-Ni-CeO2 exhibited higher catalytic performance than simple Me-CeO2 catalysts. Within the Me-Ni-CeO2 series, Co-Ni-CeO2 exhibited excellent and stable catalytic performance (CO conversion \> 90\%) at a very high GHSV of 143,000 h(-1). The existence of high" concentration of Ce3+ ions and oxygen vacancies on the catalyst surface were responsible for the increased WGS activity of Co-Ni-CeO2. In addition, Co-Ni-CeO2 maintains a stable performance for 50 h. However, commercial Fe2O3-Cr2O3 catalyst showed a steep decline from their initial CO conversion values 15-10\% within 5 h. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {CeO2, Co-Ni-CeO2, Lattice strain, oxygen vacancies, Water-gas shift}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.04.027}, author = {Jha, Ajay and Jeong, Dae-Woon and Lee, Yeol-Lim and Jang, Won-Jun and Shim, Jae-Oh and Jeon, Kyung-Won and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article {43574, title = {"Click" polymerization: a convenient strategy to prepare designer fullerene materials}, journal = {Materials \& Design}, volume = {108}, year = {2016}, month = {OCT}, pages = {34-41}, abstract = {"Click" polymeric assemblies of fullerenes, thiophenes and aryl compounds were prepared for the first time to study their spectroscopic/chemical/electronic characteristics and possible applications in photovoltaic cells. The GPC and NMR spectroscopic data confirmed a moderate to high degree of polymerization while microscopic pictures showed well-defined arrangements of fullerenes. The FTIR studies indicated that the product is free from starting azide materials, whereas thermogravimetric analysis data suggested a good stability. Band gap of the material was determined using UV-Vis spectroscopy, cyclic voltammetric techniques and compared with computational investigation. The fullerene copolymer was fabricated as acceptor material in a bulk heterojunction photovoltaic cell. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.matdes.2016.06.059}, author = {Krishnamurthy, Munusamy and Krishnamoorthy, Kothandam and Arulkashmir, Arulraj and Raghavendra, V. and Murali, Adhigan and Jaisankar, Sellamuthu N. and Murugan, P. and Gurusamy-Thangavelu, Senthil A. and Nasar, A. Sultan and Mandal, Asit Baran and Samanta, Debasis} } @article {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 { ISI:000370464800023, title = {Complexation key to a pH locked redox reaction}, journal = {Journal of Chemical Education}, volume = {93}, number = {2}, year = {2016}, month = {FEB}, pages = {355-361}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unfavorable pH can block a feasible electron transfer for a pH dependent redox reaction. In this experiment, a series of potentiometric titrations demonstrate the sequential loss in feasibility of iron(II) dichromate redox reaction over a pH range of 0-4. The pH at which this reaction failed to occur was termed as a pH locked reaction. The comparative ability of 10 selected iron binding ligands with varied propensity for the redox potential modification of Fe(III)/Fe(II) redox couple to restore/unlock the pH locked redox reaction is shown using potentiometric titrations. The spectrophotometric speciation analysis of Fe(III) Tiron complexation with pH was carried out to explain the differing ability of EDTA and Tiron to unlock the reaction under different pH Conditions. The experiment illustrates how environmental, biological redox reactions avoid severe laboratory conditions to occur and can be explored in the design of novel redox systems for natural attenuation of environmental toxins to their non- or lesser-toxic forms. The experiment also demonstrates prudent laboratory practice for safe waste disposal.

}, keywords = {Analytical Chemistry, Aqueous Solution Chemistry, Coordination Compounds, Oxidation/Reduction, pH, Physical Chemistry, Potentiometry, Second-Year Undergraduate, Thermodynamics, Titration/Volumetric Analysis, Upper-Division Undergraduate}, issn = {0021-9584}, doi = {10.1021/acs.jchemed.5b00499}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Shams, Tahir and Khan, Khaliquz Zaman} } @article {43442, title = {Constructing covalent organic frameworks in water via dynamic covalent bonding}, journal = {Iucrj}, volume = {3}, year = {2016}, month = {NOV}, pages = {402-407}, abstract = {The formation of keto-enamine based crystalline, porous polymers in water is investigated for the first time. Facile access to the Schiff base reaction in water has been exploited to synthesize stable porous structures using the principles of Dynamic Covalent Chemistry (DCC). Most credibly, the water-based Covalent Organic Frameworks (COFs) possess chemical as well as physical properties such as crystallinity, surface area and porosity, which is comparable to their solvothermal counterparts. The formation of COFs in water is further investigated by understanding the nature of the monomers formed using hydroxy and non-hydroxy analogues of the aldehyde. This synthetic route paves a new way to synthesize COFs using a viable, greener route by utilization of the DCC principles in conjunction with the keto-enol tautomerism to synthesize useful, stable and porous COFs in water.}, doi = {10.1107/S2052252516013762}, author = {Thote, Jayshri and Aiyappa, Harshitha Barike and Kumar, Raya Rahul and Kandambeth, Sharath and Biswal, Bishnu P. and Shinde, Digambar Balaji and Roy, Neha Chaki and Banerjee, Rahul} } @article { ISI:000381052600004, title = {Crystal structure, computational studies, and stereoselectivity in the synthesis of 2-aryl-thiazolidine-4-carboxylic acids via insitu imine intermediate}, journal = {Journal of Sulfur Chemistry}, volume = {37}, number = {4}, year = {2016}, month = {MAR}, pages = {401-425}, publisher = {TAYLOR \& FRANCIS LTD}, address = {2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND}, abstract = {

This article presents the synthesis of (2R/2S,4R)-2-aryl-thiazolidine-4-carboxylic acids via nucleophilic addition of L-Cysteine on aromatic aldehydes involving a yield and time-effective room temperature reaction in an aqueous DMSO medium in the presence of NaHCO3 as a base. The synthesized diastereomers were spectroscopically characterized and quantified for diastereomeric excess by liquid chromatography-mass spectrometry analysis. The impact of the type and position of substituent in aromatic aldehydes on reaction time, \% yield, H-1 NMR shift at newly formed chiral center [C(2)-H], and diastereomeric excess (de\%) have been investigated. A plausible mechanism for stereoselectivity via an in situ imine intermediate is proposed using real-time IR monitoring of the synthetic reaction based on the significant signals at 1597, 1593cm(-1) for imine (C=N) stretching. The imine mechanism for stereoselectivity was further supported by NMR studies of azomethine C-13 NMR signals at 159, 160ppm and by the single crystal structure of hitherto unknown (2S,4R)-3-(tert-butoxycarbonyl)-2-(2-hydroxyphenyl)thiazolidine-4-carbox ylic acid (3a) obtained as a major diastereomer in the synthesis of the butyloxy carbonyl (BOC) derivative of (2R/2S,4R)-2-(2-hydroxyphenyl)thiazolidine-4-carboxylic acid. The significant ortho-OH effect of phenolic hydroxyl group leading to strong hydrogen bondings plays a vital role in the formation of 2S,4R BOC derivative stereoselectively. The frontier molecular orbitals, possible electronic excitations, IR band characterizations, and reactivity parameters of newly reported compound (3a) have been predicted using quantum chemical descriptors from density functional theory. The theoretical exploration of experimental spectra using time-dependent DFT indicated a (-*) transition between HOMO and LUMO in the ultraviolet region.

}, keywords = {2-aryl-thiazolidine-4-carboxylic acids, density function theory, frontier molecular orbitals, imine intermediate, X-ray crystal structure}, issn = {1741-5993}, doi = {10.1080/17415993.2016.1156116}, author = {Jagtap, Rohidas M. and Rizvi, Masood A. and Dangat, Yuvraj B. and Pardeshi, Satish K.} } @article {43627, title = {Cu-Catalyzed iminative hydroolefination of unactivated alkynes en route to 4-imino-tetrahydropyridines and 4-aminopyridines}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {OCT}, pages = {13475-13478}, abstract = {A general method for synthesizing 4-imino tetrahydropyridine derivatives is achieved, from readily available beta-enaminones and sulfonyl azides, which comprises a sequential copper catalyzed ketenimine formation and its hitherto inaccessible intramolecular hydrovinylation. The products are shown as ready precursors for highly valuable 4-sulfonamidopyridine derivatives via DDQ mediated oxidation.}, doi = {10.1039/c6cc08081b}, author = {Kumar, Ravi and Thorat, Shridhar H. and Reddy, Maddi Sridhar} } @article { ISI:000366864700006, title = {Cu-catalyzed sequential C-N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {1}, year = {2016}, month = {NOV}, pages = {43-46}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {

The tetracyclic indoloindol-3-one core has been forged from easily accessible 2,2{\textquoteright}-bis-bromochalcones employing a reaction cascade comprising Cu-catalyzed SNAr with azide; nitrene C-H insertion and intramolecular Ullmann reaction with all three C-N bond formations in one-go.

}, issn = {2052-4129}, doi = {10.1039/c5qo00248f}, author = {Kulkarni, Anand M. and Srinivas, Kolluru and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {43014, title = {Culture conditions for the production of thermostable lipase by thermomyces lanuginosus}, journal = {Journal of Basic and Applied Sciences}, year = {2016}, month = {NOV}, abstract = {

In the present investigation lipase production by three strains of thermophilic Thermomyces lanuginosus (GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14) was carried out in submerged fermentation process. Olive oil and triacetin (0.1\%) were added to the basal medium, which stimulated the lipase production. The maximum lipase was produced by GSLMBKU-10 and GSLMBKU-13 in yeast extract starch medium supplemented with triacetin (0.1\%). The optimum pH was recorded at 6.0, 6.5 and 7.0 by GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14 respectively. T. lanuginosus GSLMBKU-10 strains failed to produce lipase at pH 8.0. The optimum temperature for lipase production was observed at 45 {\textdegree}C by GSLMBKU-14 and GSLMBKU-10, while that for GSLMBKU-13 was at 50 {\textdegree}C. The marginal temperature ranged from 45 {\textdegree}C to 50 {\textdegree}C for both lipase production and vegetative growth by the three strains of T. lanuginosus under study. In conclusion, the GSLMBKU-13 strain was comparatively superior in the production of lipase than the other two strains under investigation.

}, doi = {10.1016/j.bjbas.2016.11.010}, author = {Sreelatha, B. and Vankudoth, Koteswara Rao and Kumar, R. Ranjith and Girisham, Sivadevuni and Reddy, S. M.} } @article {43622, title = {Cutaneous exposure to clinically-relevant pigeon pea (Cajanus cajan) proteins promote T(H)2-dependent sensitization and IgE-mediated anaphylaxis in Balb/c mice}, journal = {Journal of Immunotoxicology}, volume = {13}, year = {2016}, month = {JAN}, pages = {827-841}, abstract = {Epicutaneous (EC) sensitization to food allergens may occur when the skin has been lightly damaged. The study here tested whether cutaneous exposure to pigeon pea protein(s) may cause allergic sensitization. BALB/c mice were either orally gavaged or epicutaneously sensitized by repeated application of pigeon pea crude protein extract (CPE) on undamaged areas of skin without any adjuvant; afterwards, both groups were orally challenged with the pigeon pea CPE. Anaphylactic symptoms along with measures of body temperature, MCPT-1, TSLP, pigeon pea-specific IgE and IgG(1), myeloperoxidase (MPO) activity, T(H)2 cytokines, T(H)2 transcription factors (TFs) and filaggrin expression were determined. Mast cell staining, eosinophil levels and histopathological analysis of the skin and intestines were also performed. In the epicutaneously-sensitized mice, elevated levels of specific IgE and IgG(1), as well as of MCPT-1, TSLP, T(H)2 cytokines and TFs, higher anaphylactic scores and histological changes in the skin and intestine were indicative of sensitization ability via both routes in the pigeon pea CPE-treated hosts. Elevated levels of mast cells were observed in both the skin and intestine; increased levels of eosinophils and MPO activity were noted only in the skin. Decreased levels of filaggrin in skin may have played a key role in the skin barrier dysfunction, increasing the chances of sensitization. Therefore, the experimental data support the hypothesis that in addition to oral exposure, skin exposure to food allergens can promote T(H)2-dependent sensitization, IgE-mediated anaphylaxis and intestinal changes after oral challenge. Based on this, an avoidance of cutaneous exposures to allergens might prevent development of food anaphylaxis.}, doi = {10.1080/1547691X.2016.1205159}, author = {Gupta, Rinkesh Kumar and Kumar, Sandeep and Gupta, Kriti and Sharma, Akanksha and Roy, Ruchi and Verma, Alok Kumar and Chaudhari, Bhushan P. and Das, Mukul and Ansari, Irfan Ahmad and Dwivedi, Premendra D.} } @article {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 {42942, title = {Design, synthesis and biological evaluation of novel azaspiro analogs of linezolid as antibacterial and antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {475-487}, abstract = {

The design, synthesis and antimicrobial evaluation of a novel series of azaspiro analogues of linezolid (1) have been described. Linezolid comprises of a morpholine ring which is known for its metabolism related liabilities. Therefore, the key modification made in the linezolid structure was the replacement of morpholine moiety with its bioisostere, 2-oxa-6-azaspiro[3.3]heptane. Furthermore, the replacement of N-acetyl terminal of 1 with various aromatic or aliphatic functionalities was carried out. The title compounds were evaluated against a panel of Gram-positive and Gram-negative bacteria and Mycobacterium tuberculosis. Subsequent structure-activity relationship (SAR) studies identified several compounds with mixed antibacterial and antitubercular profiles. Compound 22 (IC50 0.72, 0.51, 0.88, 0.49 mu g/mL for Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, respectively) exhibited similar antibacterial profile as I. The N-acetyl derivative 18 was similar to 1 in antitubercular profile. Thus, the present study successfully demonstrated the use of azaspiro substructure in the medicinal chemistry of antibacterial and antitubercular agents. (C) 2016 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2016.07.001}, author = {Gadekar, Pradip K. and Roychowdhury, Abhijit and Kharkar, Prashant S. and Khedkar, Vijay M. and Arkile, Manisha A. and Manek, Hardik and Sarkar, Dhiman and Sharma, Rajiv and Vijayakumar, V. and Sarveswari, S.} } @article { ISI: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.} } @article {45851, title = {Disinfection of water using vortex diode as hydrodynamic cavitation reactor}, journal = {Asian Journal of Chemistry}, volume = {28}, year = {2016}, month = {AUG}, pages = {1867-1870}, type = {Article}, abstract = {Hydrodynamic cavitation offers distinct advantages for water disinfection and wastewater treatment particularly at large scales of operations. Vortex Diode is a fluidic device, which is conventionally used as a leaky non-return valve in nuclear industry. Recently this device was shown to be effective hydrodynamic cavitation device. In the present study, we have investigated use of cavitation in vortex diode for water disinfection application. Escherichia coli contaminated water is treated successfully using vortex diode. The operating parameters desirable for the disinfection are investigated. The performance is evaluated based on the reduction in the colony forming unit (CFU/mL) of E. coli count estimated by standard spread plate method. The presented results will be useful for identifying appropriate operating conditions for using vortex diode to effectively reduce the bacterial load and disinfect water.}, doi = {10.14233/ajchem.2016.19991}, author = {Gaikwad, V. and Ranade, V.} } @article { ISI:000372848000021, title = {Disruption of native beta-turns: consequence of folding competition between native and orthanilic acid proline-based pseudo beta-turn}, journal = {European Journal of Organic Chemistry}, number = {7}, year = {2016}, month = {MAR}, pages = {1380-1388}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Five tetrapeptides comprising beta-turn-forming elements and a pseudo beta-turn (C9 H-bonding) based on an SAntPro (orthanilic acid - proline) motif were designed and synthesized. Their extensive conformational investigation by single-crystal X-ray crystallography, solution-state 2D NMR spectroscopic, and nOe-restrained MD simulation studies revealed the formation of C14 or C9 folding and disruption of the native beta-turn (C10 H-bonding) architecture. The striking difference between the psi(psi(2)) angle of {\textquoteleft}{\textquoteleft}i + 2{\textquoteright}{\textquoteright} residues of native beta-turn and designed peptides suggest that formation of the native beta-turn is not favored. The results suggest that other turn-forming motifs can dramatically modulate the stability of the native beta-turn structure.

}, keywords = {Conformation analysis, hydrogen bonds, Peptidomimetics, structure elucidation}, issn = {1434-193X}, doi = {10.1002/ejoc.201501558}, author = {Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Chaitanya, K. N. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @conference {45852, title = {Diversity of arsenic resistant bacteria from Lonar lake: A meteorite impact alkaline crater lake in Indi}, booktitle = {Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016}, year = {2016}, month = {JUN}, publisher = {CRC Press/Balkema}, organization = {CRC Press/Balkema}, address = {Stockholm; Sweden}, abstract = {Lonar lake known for its meteorite impact origin and highly alkaline environment harbors a plethora of diverse organisms. Arsenic transforming microbe diversity from Lonar remains unexplored. We attempted to explore the microorganisms causing arsenic transformation using culture-dependent and independent approaches. Amongst the 67 microbes isolated, Bacillus infantis L4-18 and Bacillus solimangrovi L4-7b could oxidise 15 mM arsenite in 8 days. None of the cultures could reduce arsenate. All the other isolates resisted 2 mM arsenic. In the culture independent approach, microbial diversity revealed Bacteroides (41.9\%), followed by Proteobacteria (17.9\%), Firmicutes (14.2\%), Actinobacteria (13.9\%), occurring in the Lonar sediment sample. This study provides foundation to study microbial arsenic biogeochemical cycle along with other biochemical cycles and microbial function in Lonar lake eco system.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85017026744\&origin=inward\&txGid=63266bcb17f730d2678898ea486dffa6}, author = {Bagade, A. V. and Paul, D. and Rikame, T. and Giri, A. P. and Dhotre, D. and Pawar, S. and Kodam, K.} } @article { ISI:000374321000015, title = {Dr. V. Jagannathan (1921-2015) Obituary}, journal = {National Academy Science Letters-India}, volume = {39}, number = {2}, year = {2016}, month = {APR}, pages = {135-136}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, issn = {0250-541X}, doi = {10.1007/s40009-016-0456-y}, author = {Rao, Mala and Deshpande, Vasanti and Ingle, Prabhakar} } @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:000376330800049, title = {Earth abundant iron-rich N-doped graphene based spacer and cavity materials for surface plasmon-coupled emission enhancements}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {19}, year = {2016}, month = {MAY}, pages = {12324-12329}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We demonstrate for the first time the use of Fe based nanoparticles on N-doped graphene as spacer and cavity materials and study their plasmonic effect on the spontaneous emission of a radiating dipole. Fe-C-MF was produced by pyrolizing FeOOH and melamine formaldehyde precursor on graphene, while Fe-C-PH was produced by pyrolizing the Fe-phenanthroline complex on graphene. The use of the Fe-C-MF composite consisting of Fe-rich crystalline phases supported on N-doped graphene presented a spacer material with 116-fold fluorescence enhancements. On the other hand, the Fe-C-PH/Ag based cavity resulted in an 82-fold enhancement in Surface Plasmon-Coupled Emission (SPCE), with high directionality and polarization of Rhodamine 6G (Rh6G) emission owing to Casimir and Purcell effects. The use of a mobile phone as a cost-effective fluorescence detection device in the present work opens up a flexible perspective for the study of different nanomaterials as tunable substrates in cavity mode and spacer applications.

}, keywords = {Casimir effect, fluorescence enhancements, iron carbides, N-doped graphene, Purcell factor, surface plasmon-coupled emission}, issn = {1944-8244}, doi = {10.1021/acsami.5b12038}, author = {Srinivasan, Venkatesh and Vernekar, Dnyanesh and Jaiswal, Garima and Jagadeesan, Dinesh and Ramamurthy, Sai Sathish} } @article {43437, title = {Effect of additives on formation and decomposition kinetics of methane clathrate hydrates: application in energy storage and transportation}, journal = {Canadian Journal of Chemical Engineering}, volume = {94}, year = {2016}, month = {NOV}, pages = {2160-2167}, abstract = {Methane gas storage and transportation via clathrate hydrates is proposed to be a potential solution for large-scale energy storage. In this work, we study the formation and decomposition kinetics of methane hydrates (MH) in a laboratory-scale unstirred crystallizer. The present investigation demonstrates comparative studies of hydrate formation and dissociation kinetics in the presence of tetrahydrofuran (55.6 and 27.8mmol/mol, 5.56 and 2.78mol\% THF) and sodium dodecyl sulphate (1mg/g, 0.1wt\% SDS). Moreover, the storage capacity and hydrate formation kinetics in both the systems are discussed. In a recent work, enhanced methane hydrate growth in the presence of THF at close to atmospheric conditions was demonstrated. The emphasis of the current work is to study the stability of hydrates to understand dissociation kinetics by measuring the rate of hydrate decomposition at different temperatures. Hydrate stability measurements were performed at -8, -3, 2, 10, and 20 degrees C to study the decomposition rates of MH and self-preservation in presence of the two additives THF and SDS.}, doi = {10.1002/cjce.22583}, author = {Kumar, Asheesh and Kushwaha, Omkar Singh and Rangsunvigit, Pramoch and Linga, Praveen and Kumar, Rajnish} } @article {45855, title = {Effect of orifice shape on water disinfection efficacy}, journal = {Pollution Research}, volume = {35}, year = {2016}, month = {SEP}, pages = {765-771}, type = {Article}, abstract = {Hydrodynamic cavitation offers distinct advantages for water disinfection and waste watei treatment particularly at large scales of operations. For applying hydrodynamic cavitation foi water disinfection/treatment, water stream to be treated is passed through a fluidic device ir which there exists a low pressure region. Cavities are generated in this region when the pressurt falls below vapour pressure (in absence of any dissolved gases). These cavities are then collapsec when they travel to regions of higher pressure and lead to very high shear, temperatures anc pressures in localized regions. These high pressure/temperature as well as high shear facilitati disinfection as well as reduction in chemical oxygen demand, colour and amonical nitrogen in the water. In this work, we have investigated hydrodynamic cavitation generated by five difieren orifices have been studied which have different shapes with same fractional open area and have tested their effectiveness for water disinfection. The efficacy of generated cavitation on wate disinfection was quantified based on measurements of non-pathogenic E. coli colony forminj units (CFU/mL). The presented results and analysis will be useful for designing hydrodynamii cavitation based systems for water disinfection}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85019205889\&origin=inward\&txGid=ce34b9a17392bdd05364dde2f57a1e52}, author = {Gaikwad, V. and Gaikwad, S. and Ranade, V.} } @article { ISI:000377257000076, title = {Effect of plasma treatment on multilayer graphene: X-ray photoelectron spectroscopy, surface morphology investigations and work function measurements}, journal = {RSC Advances}, volume = {6}, number = {54}, year = {2016}, month = {MAY}, pages = {48843-48850}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report here the effect of plasma treatment on multilayer graphene samples as determined by X-ray photoelectron spectroscopy and surface morphology studies with atomic force microscopy, scanning electron microscopy and transmission electron microscopy. The plasma treatment was modified to introduce controlled levels of defects and functionalities to the graphene samples to give tunable properties. The elemental composition and structure were investigated by XPS and micro Raman spectroscopy. The XPS study showed that there was a slight variation in the sp(2)/sp(3) hybridization ratio between the plasma-treated samples and the pristine sample. Kelvin probe measurements were carried out on all the multilayer graphene samples and indicated a slight variation in the work function of the graphene samples after plasma treatment.

}, issn = {2046-2069}, doi = {10.1039/c6ra03046g}, author = {Patil, Urmila V. and Pawbake, Amit S. and Machuno, Luis G. B. and Gelamo, Rogerio V. and Jadkar, Sandesh R. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000376515100003, title = {Effect of plug temperature on the strain and thickness distribution ofcomponents made by plug assist thermoforming}, journal = {International Polymer Processing}, volume = {31}, number = {2}, year = {2016}, month = {MAY}, pages = {166-178}, publisher = {CARL HANSER VERLAG}, address = {KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY}, abstract = {

Plug temperature is a key parameter affecting the thickness distribution of thermoplastic components made by plug assist thermoforming. For a specified pair of plug and plastic sheet, the variation in plug temperature can alter the coefficient of friction (COF) between the pair. We show here how the temperature dependence of COF influences the nature and extent of biaxial stretching of the sheet and consequently the thickness distribution of the thermoformed component. In the present study, high impact polystyrene (HIPS) sheets were thermoformed into axisymmetric cups using a plug-assist process in which the aluminum plug temperature (T-plug) was varied from ambient to above the glass transition temperature of HIPS (similar to 100 degrees C). Biaxial strain maps on the surfaces of the formed cups were measured and quantified using Grid Strain Analysis (GSA). Thickness distributions of the cups were also measured. Temperature dependent COF between HIPS and aluminum was determined independently using a rotational rheometer. The measured COF was low for T \< 100 degrees C, whereas it increased appreciably at and above 100 degrees C. We conclude that when T-plug \< 100 degrees C the HIPS sheet slips on the plug during forming, and this results in biaxial stretching of the base and walls of the formed cup. In contrast for T-plug \> 100 degrees C, a significant reduction in the magnitude of slip is expected. Here the sheet is gripped at the clamp and by the plug during forming which causes reduced biaxial stretching of the base and increased uniaxial stretching of the walls of the cup. Simulations of plug-assist thermoforming using a temperature dependent COF showed qualitative agreement with the GSA data thereby supporting our inferences.

}, issn = {0930-777X}, doi = {10.3139/217.3060}, author = {Marathe, D. and Rokade, D. and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Gupta, S. and Kulkarni, S. and Juvekar, Vinay A. and Lele, Ashish K.} } @article {43039, title = {Effect of polyvinylpyrrolidone at methane hydrate-liquid water interface. application in flow assurance and natural gas hydrate exploitation}, journal = {Fuel}, volume = {186}, year = {2016}, month = {DEC}, pages = {613-622}, doi = {10.1016/j.fuel.2016.09.004}, author = {Choudhary, Nilesh and Das, Subhadip and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000362919800035, title = {Effect of process intensifying parameters on the hydrodynamic cavitation based degradation of commercial pesticide (methomyl) in the aqueous solution}, journal = {Ultrasonics Sonochemistry}, volume = {28}, year = {2016}, month = {JAN}, pages = {283-293}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Methomyl, a carbamate pesticide, is classified as a pesticide of category-1 toxicity and hence shows harmful effects on both human and aquatic life. In the present work, the degradation of methomyl has been studied by using hydrodynamic cavitation reactor (HC) and its combination with intensifying agents such as H2O2, fenton reagent and ozone (hybrid processes). Initially, the optimization of operating parameters such pH and inlet pressure to the cavitating device (circular venturi) has been carried out for maximizing the efficacy of hydrodynamic cavitation. Further degradation study of methomyl by the application of hybrid processes was carried out at an optimal pH of 2.5 and the optimal inlet pressure of 5 bar. Significant synergetic effect has been observed in case of all the hybrid processes studied. Synergetic coefficient of 5.8, 13.41 and 47.6 has been obtained by combining hydrodynamic cavitation with H2O2, fenton process and ozone respectively. Efficacy of individual and hybrid processes has also been obtained in terms of energy efficiency and extent of mineralization. HC + Ozone process has proved to be the most effective process having highest synergetic coefficient, energy efficiency and the extent of mineralization. The study has also encompassed the identification of intermediate by-products generated during the degradation and has proposed the probable degradation pathway. It has been conclusively established that hydrodynamic cavitation in the presence of intensifying agents can effectively be used for complete degradation of methomyl. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Advanced Oxidation Processes (AOPs), Hydrodynamic cavitation, Methomyl, Synergetic coefficient, Venturi}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2015.08.004}, author = {Raut-Jadhav, Sunita and Saini, Daulat and Sonawane, Shirish and Pandit, Aniruddha} } @article {42853, title = {Effective and selective oxidation of 2-butanol over Mn supported catalyst systems}, journal = {Applied Catalysis A-General}, volume = {525}, year = {2016}, month = {SEP}, pages = {237-246}, abstract = {

Oxidation of alcohols to their corresponding aldehydes/ketones is an important reaction in industries as well as in academic perspective. Selective oxidation (Selox) of alcohols like methanol, ethanol and propanol are well studied in literature; however, alcohols like butanol, pentanol, octanol is a challenging task. Selective oxidation of 2-butanol to methyl ethyl ketone (MEK) is an important reaction due to its wide range of applications. Herein, we demonstrated the selective oxidation of 2-butanol to MEK over Mn supported on different oxide supports. A series of MnxOy-Al2O3 (MA), MnxOy-CeO2 (MC), MnxOy-ZrO2 (MZ) and MnxOy-SiO2 (MS) catalysts were prepared by co-precipitation followed by hydrothermal method. As synthesised catalysts were characterised by various physico-chemical characterisation techniques. It was found that the presence of Mn3O4 species in MA and MZ catalysts is responsible for maximum catalytic activity towards 2-butanol oxidation. MA catalyst conferred a maximum 2-butanol conversion of 51\% and 88\% selectivity towards MEK. XPS analysis revealed that Mn in MA catalyst exists in +2 and +3 oxidation states and responsible for 2-butanol oxidation. Moreover it was found that the acidity of the catalyst also plays an important role in catalytic activity. (C) 2016 Published by Elsevier B.V.

}, doi = {10.1016/j.apcata.2016.08.005}, author = {Prabu, Kandasamy and Prabu, Marimuthu and Venugopal, Ashok Kumar and Venugopalan, Aswathy Thareparambil and Sandilya, W. V. Y. Sai and Gopinath, Chinnakonda S. and Raja, Thirumalaiswamy} } @article {43395, title = {Effects of thermal treatment of ZnO-ZnCr2O4 catalyst on the particle size and product selectivity in dehydrocyclization of crude glycerol and ethylenediamine}, journal = {Kinetics and Catalysis}, volume = {57}, year = {2016}, month = {SEP}, pages = {602-609}, abstract = {The ZnO-ZnCr2O4 (Zn-Cr-O) sample obtained by decomposition of Zn-Cr hydrotalcite precursor was subjected to the thermal treatment at different temperatures and the physico-chemical properties of the Zn-Cr-O system were compared with its catalytic behavior in dehydrocyclization of crude glycerol and ethylenediamine (EDA). Upon high temperature treatment of Zn-Cr-O the Cr6+ ions underwent autoreduction to form stable Cr3+ species and the particle size of both ZnO and ZnCr2O4 increased dramatically. Thermal effect did not influence the intermolecular cyclisation of EDA to form pyrazine. By contrast, an inversely proportional dependence was found between the rate of formation of 2-methylpyrazine and the particle size of Zn-Cr-O whereas the rate of 2-pyrazinylmethanol was directly proportional to the particle size.}, doi = {10.1134/S0023158416050177}, author = {Sarkari, Reema and Krishna, Vankudoth and Sudhakar, Medak and Rao, Tumula Venkateshwar and Padmasri, Aytam Hari and Srinivas, Darbha and Venugopal, Akula} } @article { ISI:000380417800044, title = {Efficacy of zero-valent copper (Cu-0) nanoparticles and reducing agents for dechlorination of mono chloroaromatics}, journal = {Chemosphere}, volume = {159}, year = {2016}, month = {SEP}, pages = {359-366}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The zero-valent copper (Cu-0) nanoparticles were prepared by chemical reduction method. The morphology of nanoparticles was investigated by using X ray diffraction, scanning electron microscopy-energy dispersive X ray, UV-visible spectrophotometer and Brunauer-Emmett-Teller surface area analyser. The Cu-0 nanoparticles along with reducing agents, NaBH4/5\% acidified alcohol were used for the dechlorination of chloroaromatics at room temperature. Chlorobenzene (Cl-B), chlorotoluene (Cl-T), chloropyridine (Cl-Py) and chlorobiphenyl (Cl-BPh) were selected as the contaminants. The effect of various operating parameters such as pH, concentration of the catalyst and reducing agent (NaBH4), and recycling of the catalyst on dechlorination were studied. Nearly complete dechlorination of all the chloroaromatics were achieved in the presence of Cu-0 nanoparticles (2.5 g L-1) and NaBH4 (1.0 g L-1.) within 12 h. On the contrary, approximately 70\% of dechlorination was observed in the presence of 5\% acidified alcohol at similar experimental conditions. The dechlorination mechanism highlighted the importance of Cu-0 nanoparticles as a surface mediator. The kinetics of the dechlorination of chloroaromatics was investigated and compared with chloroaliphatics. The dechlorination rate differed from 0.23 h(-1) (Cl-B) to 0.15 h(-1) (Cl-BPh) in the presence of Cu-0 nanoparticles and NaBH4. The effectiveness of Cu nanoparticles with NaBH4 (1 g L-1) and 5\% acidified alcohol as electron donors were studied by oxidation-reduction potential and observed to be -1016 mV and -670 mV, respectively. Final products of the dechlorination were benzene, toluene, pyridine and biphenyl, as identified by gas chromatograph mass spectrometer and nuclear magnetic resonance spectroscopy. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Acidified alcohol, ChloroAromatics, Hydrodechlorination, NaBH4, Wastewater treatment, Zero-valent copper (Cu-0) nanoparticles}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2016.06.031}, author = {Raut, Sandesh S. and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @inbook {43390, title = {Efficient methods for preparing silicon compounds}, booktitle = {Academic Press}, year = {2016}, chapter = {Efficient methods for preparing silicon compounds}, abstract = {

Efficient Methods for Preparing Silicon Compounds is a unique and valuable handbook for chemists and students involved in advanced studies of preparative chemistry in academia and industry. Organized by the various coordination numbers (from two to six) of the central silicon atom of the reported compounds, this book provides researchers with a handy and immediate reference for any compound or properties needed in the area. Edited by a renowned expert in the field, each chapter explores a different type of compound, thoroughly illustrated with useful schemes and supplemented by additional references. Knowledgeable contributors report on a broad range of compounds on which they have published and which are already used on a broad scale or have the potential to be used in the very near future to develop a new field of research or application in silicon chemistry. Includes contributions and edits from leading experts in the field Includes detailed chemical schemes and useful references for each preparative method Organized by the coordination numbers of the central silicon atom for each compound for easy navigation Serves as a go-to primer for researchers in novel compositions of silicon matter.

}, author = {Sen, Sakya S. and Roesky, H. W.} } @article { ISI:000377203300030, title = {Electronic structure and properties of layered gallium telluride}, journal = {Chemical Physics Letters}, volume = {651}, year = {2016}, month = {MAY}, pages = {148-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Layer-dependent electronic structure and properties of gallium monochalcogenides, GaX where X=S, Se, Te, have been investigated using first-principles calculations based on various functionals, with a motivation to assess their use in photocatalytic water splitting. Since hydrogen evolution by water splitting using visible light provides a promising way for solar energy conversion, both theoretical and experimental studies have been carried out on the photochemical hydrogen evolution by GaTe. We also present the Raman spectra of GaTe examined by both theory and experiment. (C) 2016 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2016.03.045}, author = {Shenoy, U. Sandhya and Gupta, Uttam and Narang, Deepa S. and Late, Dattatray J. and Waghmare, Umesh V. and Rao, C. N. R.} } @article { ISI:000366864700011, title = {Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {1}, year = {2016}, month = {NOV}, pages = {71-76}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {

The transition-metal-free aryne multicomponent coupling (MCC) involving carboxylic acids initiated by aziridines/azetidines has been reported. The use of aziridines as nucleophiles afforded N-aryl beta-amino alcohol derivatives and the application of azetidines as nucleophilic triggers furnished N-aryl gamma-amino alcohol derivatives in moderate to good yields. These reactions proceed under mild conditions and result in the formation of a new carbon-nitrogen bond and a new carbon-oxygen bond. The utility of carboxylic acids in aryne MCCs has been demonstrated, and the synthetic potential of phenols as acid surrogates in the present aryne MCCs has been realized.

}, issn = {2052-4129}, doi = {10.1039/c5qo00328h}, author = {Roy, Tony and Bhojgude, Sachin Suresh and Kaicharla, Trinadh and Thangaraj, Manikandan and Garai, Bikash and Biju, Akkattu T.} } @article {42902, title = {Enantiospecific formal synthesis of inthomycin C}, journal = {Chemistry Select}, volume = {1}, year = {2016}, month = {MAR}, pages = {495{\textendash}497}, abstract = {

An enantiospecific synthesis of Hatakeyama{\textquoteright}s intermediate enynol has been accomplished in both enantiomeric forms. As these intermediates can be converted to (3R)-inthomycin C and (3S)-inthomycin C through respective enynol intermediates using reported procedures, present effort may be regarded as formal synthesis of inthomycin C in both enantiomeric forms. Our synthesis highlights the use of pantolactone chiral pool and thus reconfirms the previously assigned absolute stereochemistry as 3R to the natural product inthomycin C.

}, doi = {10.1002/slct.201600128}, author = {Athawale, Paresh R. and Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000382587400004, title = {Encapsulation of yeast (Saccharomyces cereviciae) by spray drying for extension of shelf life}, journal = {Drying Technology}, volume = {34}, number = {11}, year = {2016}, month = {JAN}, pages = {1307-1318}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

The objective of the present work was to encapsulate yeast using different carrier materials and examine their efficacy in retaining viability of cells after spray drying. Slurry containing yeast cells along with known amount of carrier material (maltodextrin, corn starch, gum arabic, acacia gum, polyethylene glycol 8000, -cyclodextrin, and skimmed milk powder, one at a time) was added and served as feed. Among these carrier materials attempted, corn starch and maltodextrin showed the best results with respect to powder yield (59\%, w/w) and cell survival (80.5\%), respectively. However, considering both survival and powder yield (67 and 59\% w/w, respectively), corn starch was observed to be the most suitable carrier material.

}, keywords = {Cell viability, Encapsulation, freeze-drying, spray drying, Yeast}, issn = {0737-3937}, doi = {10.1080/07373937.2015.1112808}, author = {Chandralekha, A. and Tavanandi, A. Hrishikesh and Amrutha, N. and Hebbar, H. Umesh and Raghavarao, K. S. M. S. and Gadre, Ramchandra V.} } @article { ISI:000379102600099, title = {Enhanced clathrate hydrate formation kinetics at near ambient temperatures and moderate pressures: Application to natural gas storage}, journal = {Fuel}, volume = {182}, year = {2016}, month = {OCT}, pages = {907-919}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

SNG (solidified natural gas) technology via clathrate hydrates is a potential method for large scale stationary storage of natural gas. Clathrate hydrate formation kinetics in presence of methane and 5.6 mol\% tetrahydrofuran (THF) was investigated in an unstirred reactor configuration at moderate pressure and temperature conditions. It is well known that the presence of THF generally improves the thermodynamic stability of the resulting hydrate. In order to study the scale-up potential of this approach, kinetics of hydrate growth at temperatures close to ambient conditions and moderate pressures is required. Hydrate formation experiments were performed at three different temperatures - 283.2 K, 288.2 K and 293.2 K and at experimental pressures of 7.2 MPa, 5.0 and 3.0 MPa. Further, we report a synergistic effect of kinetic promotion of mixed methane hydrate formation by coupling THF and sodium dodecyl sulfate (SDS) at 293.2 K. For the first time, we observe rapid mixed methane/THF hydrate formation kinetics at 293.2 K in presence of just 100 ppm sodium dodecyl sulfate surfactant with methane gas uptake of 3.45 (+/- 0.17) kmol/m(3) of water in 1 h. This is also the first study to demonstrate such rapid hydrate formation kinetics with significant methane storage capacity at temperature of 293.2 K (closer to the ambient temperature). Further, substantial methane gas uptake of 3.52 (+/- 0.13) kmol/m(3) of water is possible even at reduced experimental pressure of 3.0 MPa and 283.2 K in 2 h. Minimal energy requirement in an unstirred reactor for mixed methane/THF hydrate formation storage can propel the SNG technology for large scale commercial deployment. Further improvement in the process can be achieved by optimizing the cooling requirement through innovative reactor design and operating the process in a semi-batch or continuous mode. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Methane hydrates, Natural gas storage, Rapid kinetics, surfactant, Tetrahydrofuran, Unstirred reactor}, issn = {0016-2361}, doi = {10.1016/j.fuel.2016.05.068}, author = {Veluswamy, Hari Prakash and Kumar, Sharad and Kumar, Rajnish and Rangsunvigit, Pramoch and Linga, Praveen} } @article {42831, title = {Enhancement in rate of photocatalysis upon catalyst recycling}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, pages = {Article Number: 35075}, abstract = {

Recyclability is an important aspect for heterogeneous photo-catalysts. Ease of recovery and stability of the photo-catalyst in terms of efficiency over the number of cycles are highly desired and in fact it is ideal if the efficiency is constant and it should not decrease marginally with each cycle. Presented here is a seminal observation in which the photocatalytic activity is shown to improve with increasing number of catalytic cycles (it is 1.7 times better after the 1st cycle and 3.1 times better after the 2nd cycle). Specifically, nanorods of pure TiO2 and TiO2 doped with controlled amount of tungsten have been used to degrade two model pollutants: Phenol and Rhodamine B under exclusive visible light illumination. It was found that, in case of 1 mol.\% W incorporation, rate of photocatalysis and also the range of visible light absorption of the photocatalyst increased after the photocatalysis as compared to before photocatalysis. This aspect is unique for doped TiO2 and hence provides an intriguing way to mitigate low photoactivity.

}, doi = {10.1038/srep35075}, author = {Sorathiya, Kalpesh and Mishra, Biswajit and Kalarikkal, Abhishek and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Khushalani, Deepa} } @inbook {45856, title = {Epilogue}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {737-743}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {This chapter recaptures the key points and the lessons learned from our experience in applying the material discussed in this book to addressing industrially relevant issues. Some comments on future trends in catalysis and catalytic processes are included. We hope that this book will stimulate further work on this very important area from an industrial as well as a scientific point of view.}, issn = {978-012801457-8}, doi = {10.1016/B978-0-12-801457-8.00017-3}, author = {Ranade, V. V. and Joshi, S. S.} } @article {43436, title = {Evaluating the anticancer activity and nanoparticulate nature of homeopathic preparations of Terminalia chebula}, journal = {Homeopathy}, volume = {105}, year = {2016}, month = {NOV}, pages = {318-326}, abstract = {Background: Breast cancer is the most common cancer diagnosed among women and is the second leading cause of cancer death. Homeopathic medicines are part of the alternative medicines that are given as a supportive therapy in breast cancer. The objective of this study was to investigate the anticancer activity of commercially available homeopathic preparations of Terminalia chebula (TC) and evaluate their nanoparticulate nature. Methods: Mother tincture (MT) and other homeopathic preparations (3X, 6C and 30C) of TC were tested for their effect on the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cell lines by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Cell growth assay was performed to analyze the effect of the different potencies on the growth kinetics of breast cancer cells. MT and 6C were evaluated for the presence of nanoparticles by using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Results: MT decreased the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cells. However, the other potencies (3X, 6C and 30C) decreased the viability of only breast cancer cells without affecting the viability of the non-cancerous cells. All the potencies, MT, 3X, 6C and 30C, reduced growth kinetics of breast cancer cells, more specifically at 1:10 dilution at 24, 48 and 72 h. Under SEM, MT appeared as a mesh-like structure whereas under TEM, it showed presence of nanoclusters. On the other hand, 6C potency contained 20 nm sized nanoparticles. Conclusion: The current study reports the anticancer activity of homeopathic preparations of TC against breast cancer and reveals their nanoparticulate nature. These preliminary results warrant further mechanistic studies at both in vitro and in vivo levels to evaluate the potential of TC as nanomedicine in breast cancer.}, doi = {10.1016/j.homp.2016.02.004}, author = {Wani, Kirtee and Shah, Nilesh and Prabhune, Asmita and Jadhav, Arun and Ranjekar, Prabhakar and Kaul-Ghanekar, Ruchika} } @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 { ISI:000366590300006, title = {Exploring activity differences between the hydroformylation catalysts: Insights from theory}, journal = {Journal of Organometallic Chemistry}, volume = {801}, year = {2016}, month = {JAN}, pages = {30-41}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Hydroformylation catalysis is the most important homogeneous catalysis process of the current day. The current computational investigation aims to understand the nature of the hydroformylation process when monodentate ligands are employed. The complete catalytic cycle for different monodentate ligands bound to the rhodium center has been studied with full quantum chemical calculations, with density functional theory (DFT). To the best of our knowledge, this is the first systematic investigation of the relative free energy surfaces for mono-coordinate monodentate and bi-coordinated monodentate ligands in hydroformylation catalysis. The results indicate that the barriers are lower for the mono-coordinate monodentate species in comparison to the bi-coordinate monodentate, for all the ligand cases studied, indicating higher activity for the mono-coordinate monodentate active species. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Density functional theory (DFT) calculations, Hydroformylation, Monodentate, Rhodium}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2015.10.015}, author = {Dangat, Yuvraj B. and Rizvi, Masood Ahmad and Pandey, Pippalad and Vanka, Kumar} } @article { ISI:000367701900032, title = {First total synthesis of gliomasolide C and formal total synthesis of sch-725674}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {1}, year = {2016}, month = {JAN}, pages = {290-296}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Syntheses of two 14-membered macrolides Sch-725674 and Gliomasolide C are described here. The first total synthesis of Gliomasolide C, the short synthesis of Sch-725674, and regios elective Wacker oxidation of internal olefin are the highlights of this disclosure. In addition, a key macrocyde with orthogonal functionalities was designed and synthesized on a gram scale for the generation of analogues.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02318}, author = {Seetharamsingh, B. and Khairnar, Pankaj V. and Reddy, D. Srinivasa} } @article {43166, title = {Fluoride-mediated dephosphonylation of α-diazo-β-carbonyl phosphonates}, journal = {Organic Letters}, volume = {19}, year = {2016}, month = {DEC}, pages = {372 - 375}, abstract = {The possibility of fluoride-mediated selective dephosphonylation of α-diazo-β-carbonyl phosphonates such as the Ohira-Bestmann reagent has been proposed and executed. The resulting α-diazocarbonyl intermediates undergo a (3 + 2)-cycloaddition at room temperature with conjugated olefins and benzynes. Interestingly, under the current conditions, the resulting cycloaddition products underwent either N-acylation (with excess α-diazo-β-carbonyl phosphonates) or Michael addition (with conjugated olefins).}, author = {Phatake, Ravindra S. and Mullapudi, Venkanna Babu and Wakchaure, Vivek Chandrakant and Ramana, Chepuri V.} } @article {43438, title = {Free energy of bare and capped gold nanoparticles permeating through a lipid bilayer}, journal = {Chemphyschem}, volume = {17}, year = {2016}, month = {NOV}, pages = {3504-3514}, abstract = {Herein, we study the permeation free energy of bare and octane-thiol-capped gold nanoparticles (AuNPs) translocating through a lipid membrane. To investigate this, we have pulled the bare and capped AuNPs from bulk water to the membrane interior and estimated the free energy cost. The adsorption of the bare AuNP on the bilayer surface is energetically favorable but further loading inside it requires energy. However, the estimated free-energy barrier for loading the capped AuNP into the lipid membrane is much higher compared to bare AuNP. We also demonstrate the details of the permeation process of bare and capped AuNPs. Bare AuNP induces the curvature in the lipid membrane whereas capped AuNP creates an opening in the interacting monolayer and get inserted into the membrane. The insertion of capped AuNP induces a partial unzipping of the lipid bilayer, which results in the ordering of the local lipids interacting with the nanoparticle. However, bare AuNP disrupts the lipid membrane by pushing the lipid molecules inside the membrane. We also analyze pore formation due to the insertion of capped AuNP into the membrane, which results in water molecules penetrating the hydrophobic region.}, doi = {10.1002/cphc.201600690}, author = {Mhashal, Anil R. and Roy, Sudip} } @article {43409, title = {Fungal cell membrane-promising drug target for antifungal therapy}, journal = {Journal of Applied Microbiology}, volume = {121}, year = {2016}, month = {DEC}, pages = {1498-1510}, abstract = {Increase in invasive fungal infections over the past few years especially in immunocompromised patients prompted the search for new antifungal agents with improved efficacy. Current antifungal armoury includes very few effective drugs like Amphotericin B; new generation azoles, including voriconazole and posaconazole; echinocandins like caspofungin and micafungin to name a few. Azole class of antifungals which target the fungal cell membrane are the first choice of treatment for many years because of their effectiveness. As the fungal cell membrane is predominantly made up of sterols, glycerophospholipids and sphingolipids, the role of lipids in pathogenesis and target identification for improved therapeutics were largely pursued by researchers during the last few years. Present review focuses on cell membrane as an antifungal target with emphasis on membrane biogenesis, structure and function of cell membrane, cell membrane inhibitors, screening assays, recent advances and future prospects.}, doi = {10.1111/jam.13301}, author = {Sant, D. G. and Tupe, Santosh Genba and Ramana, Chepuri V. and Deshpande, Mukund V.} } @article { ISI:000378741200010, title = {Fusarium oxysporum mediates systems metabolic reprogramming of chickpea roots as revealed by a combination of proteomics and metabolomics}, journal = {Plant Biotechnology Journal}, volume = {14}, number = {7}, year = {2016}, month = {JUL}, pages = {1589-1603}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Molecular changes elicited by plants in response to fungal attack and how this affects plant-pathogen interaction, including susceptibility or resistance, remain elusive. We studied the dynamics in root metabolism during compatible and incompatible interactions between chickpea and Fusarium oxysporum f. sp. ciceri (Foc), using quantitative label-free proteomics and NMR-based metabolomics. Results demonstrated differential expression of proteins and metabolites upon Foc inoculations in the resistant plants compared with the susceptible ones. Additionally, expression analysis of candidate genes supported the proteomic and metabolic variations in the chickpea roots upon Foc inoculation. In particular, we found that the resistant plants revealed significant increase in the carbon and nitrogen metabolism; generation of reactive oxygen species (ROS), lignification and phytoalexins. The levels of some of the pathogenesis-related proteins were significantly higher upon Foc inoculation in the resistant plant. Interestingly, results also exhibited the crucial role of altered Yang cycle, which contributed in different methylation reactions and unfolded protein response in the chickpea roots against Foc. Overall, the observed modulations in the metabolic flux as outcome of several orchestrated molecular events are determinant of plant{\textquoteright}s role in chickpea-Foc interactions.

}, keywords = {Chickpea, fusarium oxysporum, Metabolomics, NMR, plant-pathogen interaction, proteomics}, issn = {1467-7644}, doi = {10.1111/pbi.12522}, author = {Kumar, Yashwant and Zhang, Limin and Panigrahi, Priyabrata and Dholakia, Bhushan B. and Dewangan, Veena and Chavan, Sachin G. and Kunjir, Shrikant M. and Wu, Xiangyu and Li, Ning and Rajmohanan, Pattuparambil R. and Kadoo, Narendra Y. and Giri, Ashok P. and Tang, Huiru and Gupta, Vidya S.} } @article { ISI:000371021000006, title = {GAME9 regulates the biosynthesis of steroidal alkaloids and upstream isoprenoids in the plant mevalonate pathway}, journal = {Nature Communications}, volume = {7}, year = {2016}, month = {FEB}, pages = {Article Number: 10654}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Steroidal glycoalkaloids (SGAs) are cholesterol-derived molecules produced by solanaceous species. They contribute to pathogen defence but are toxic to humans and considered as anti-nutritional compounds. Here we show that GLYCOALKALOID METABOLISM 9 (GAME9), an APETALA2/Ethylene Response Factor, related to regulators of alkaloid production in tobacco and Catharanthus roseus, controls SGA biosynthesis. GAME9 knockdown and overexpression in tomato and potato alters expression of SGAs and upstream mevalonate pathway genes including the cholesterol biosynthesis gene STEROL SIDE CHAIN REDUCTASE 2 (SSR2). Levels of SGAs, C24-alkylsterols and the upstream mevalonate and cholesterol pathways intermediates are modified in these plants. Delta(7)-STEROL-C5(6)-DESATURASE (C5-SD) in the hitherto unresolved cholesterol pathway is a direct target of GAME9. Transactivation and promoter-binding assays show that GAME9 exerts its activity either directly or cooperatively with the SlMYC2 transcription factor as in the case of the C5-SD gene promoter. Our findings provide insight into the regulation of SGA biosynthesis and means for manipulating these metabolites in crops.

}, issn = {2041-1723}, doi = {10.1038/ncomms10654}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Pollier, Jacob and Vanden Bossche, Robin and Dewangan, Veena and Weithorn, Efrat and Tal, Lior and Meir, Sagit and Rogachev, Ilana and Malitsky, Sergey and Giri, Ashok P. and Goossens, Alain and Burdman, Saul and Aharoni, Asaph} } @article { ISI:000373029500086, title = {Glucose sensing and low-threshold field emission from MnCo2O4 nanosheets}, journal = {RSC Advances}, volume = {6}, number = {35}, year = {2016}, month = {MAR}, pages = {29734-29740}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Manganese cobalt oxide (MnCo2O4) nanosheets were grown on nickel (Ni) foam by a simple electrodeposition method. The as-synthesized nanosheets were characterized using X-ray diffraction and scanning electron microscopy. The Ni foam supports the growth of MnCo2O4 nanosheets without any aggregation, thereby increasing its catalytic and electronic properties. The electrochemical studies show that MnCo2O4 exhibits excellent electrocatalytic activity towards glucose sensing applications. The MnCo2O4 based glucose sensor shows a good sensitivity value of 8.2 mA mM(-1) cm(-2), with a response time of 19 s. In addition to this, field emission studies of as-synthesized MnCo2O4 reveal a low turn-on field value of 1.9 V mm(-1) and good emission current stability, demonstrating MnCo2O4 nanosheets as a good field emitter material.

}, issn = {2046-2069}, doi = {10.1039/c6ra01169a}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000373636800006, title = {Gold(I) catalyzed [1,3] O -> C rearrangement of benzylvinyl ethers}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {4}, year = {2016}, month = {JAN}, pages = {453-456}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {

A simple procedure for the preparation of 3-(hetero) arylpropionaldehydes has been developed employing a gold-catalyzed [1,3]-rearrangement of vinyl ethers. Using this protocol, Canthoxal, an aromatic aldehyde used in perfumery, has been prepared on a gram scale.

}, issn = {2052-4129}, doi = {10.1039/c5qo00397k}, author = {Kona, Chandrababu Naidu and Patil, Mahesh N. and Ramana, Chepuri V.} } @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 {42940, title = {GSH Induced controlled release of levofloxacin from a purpose-built prodrug: luminescence response for probing the drug release in escherichia coli and staphylococcus aureus}, journal = {Bioconjugate Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {2062-2070}, abstract = {

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

}, doi = {10.1021/acs.bioconjchem.6b00324}, author = {Pal, Suman and Ramu, Vadde and Taye, Nandaraj and Mogare, Devraj G. and Yeware, Amar M. and Sarkar, Dhiman and Reddy, D. Srinivasa and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000380823400047, title = {H2S detection using low-cost SnO2 nano-particle Bi-layer OFETs}, journal = {Sensors and Actuators B-Chemical}, volume = {235}, year = {2016}, month = {NOV}, pages = {378-385}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

In this article, a unique platform with an organic field-effect transistor (OFET) integrated with metal oxide nanoparticles for sensing of H2S gas is presented. Metal oxide nanoparticles such as SnO2 and ZnO synthesized using herbal techniques were used in the fabrication of OFETs using a bi-layer technique. The as -synthesized nanoparticles were characterized by Field Effect Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD) and UV-vis Spectroscopy (UV-vis) to establish the material properties. We showed that the SnO2 based OFETs displayed better response for H2S at room temperature (25 degrees C) compared to the OFETs fabricated with ZnO. The characterization of the sensors by using extracted electrical parameters like field-effect mobility ([1), On -Current (Ion), threshold voltage (VT) and saturation current (ID]) establish the fact that the SnO2 based OFETs detect H2S gas at room temperature. Plausible mechanisms explaining the H2S gas detection by bi-layer film were discussed. On the other hand, the sensitivity of these OFETs against other reducing gases was less. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {bi-layer, H2S detection, Metal-oxide, OFETs, Sensor}, issn = {0925-4005}, doi = {10.1016/j.snb.2016.05.096}, author = {Surya, Sandeep G. and Ashwath, B. S. Narayan and Mishra, Sushma and Karthik, A. R. B. and Sastry, A. B. and Bhagavatula L. V. Prasad and Rangappa, Dinesh and Rao, V. Ramgopal} } @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:000370100200012, title = {Highly active bile salt hydrolase from enterococcus faecalis shows positive cooperative kinetics}, journal = {Process Biochemistry}, volume = {51}, number = {2}, year = {2016}, month = {FEB}, pages = {263-269}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Bile salt hydrolase (BSH; cholylglycine hydrolase, EC 3.5.1.24) is an important enzyme that catalyses the deconjugation of bile acids conjugated with glycine or taurine and assists in the reduction of blood cholesterol levels. In the present study, we report the cloning, overexpression and characterisation of BSH gene from a gut-associated microbe Enterococcus faecalis (EfBSH). The overexpressed protein in Escherichia coli was purified to homogeneity. Optimum pH and temperature for activity were found to be 5.0 and 50 degrees C, respectively. The enzyme was considerably stable in the pH range of 5.0-7.0 and at a temperature of up to 50 degrees C. It showed high specific activity of 1390 U mg(-1) and 1289 U mg-1 for substrates such as glycocholic acid (GCA) and glycodeoxycholic acid (GDCA), respectively. The effect of additives on enzyme activity was assessed, and the detergent Triton X showed a marginally enhanced activity. The enzyme demonstrated unique enzyme kinetics of non-linear regression, thereby displaying positive cooperativity. In addition, the modulating effect of the non-substrate ligand Pen V on the hydrolysing ability of EfBSH towards bile acid such as GDCA was measured. It was observed that Pen V significantly enhanced the BSH activity. This is markedly different from the previously reported competitive inhibition of BSH activity by Pen V. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Allosteric regulation, Bile acids, Bile salt hydrolase, Enzyme kinetics, Gut organism, Penicillin V acylase}, issn = {1359-5113}, doi = {10.1016/j.procbio.2015.12.006}, author = {Chand, Deepak and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {43411, title = {Highly selective direct azidation of alcohols over a heterogeneous povidone-phosphotungstic solid acid catalyst}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {DEC}, pages = {10240-10245}, abstract = {A simple protocol for the selective azidation of alcohols is developed using a solid acid hybrid of a povidone and phosphotungstic acid (PVP-PWA) using azidotrimethylsilane as an azide source at room temperature. In a broad substrate scope, various activated as well as unactivated benzylic and diphenyl alcohols were treated smoothly with TMS-N-3 to selectively produce only azide products with excellent yields in a very short reaction time of 2 h. FT-IR confirmed the stability of the catalyst with retention of the Keggins structure after the reaction. Recycling experiments demonstrated the reusability of the PVP PWA (3:1) several times without losing its original activity.}, doi = {10.1039/c6nj02500e}, author = {Kamble, Sumit and More, Sagar and Rode, Chandrashekhar V.} } @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:000372175300004, title = {I-2-mediated regioselective C-3 azidation of indoles}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, number = {11}, year = {2016}, month = {FEB}, pages = {3027-3030}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An unprecedented synthesis of novel 3-azido indoles has been developed using I-2 and NaN3 in high yields and excellent regio-selectivity. The reaction proceeds under metal-free conditions at room temperature. Essentially, an umpolung in reactivity at the C-3 position of indole has been achieved by the activation of indoles with I-2.

}, issn = {1477-0520}, doi = {10.1039/c6ob00295a}, author = {Prasad, Pragati K. and Kalshetti, Rupali G. and Reddi, Rambabu N. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {42901, title = {Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {OCT}, pages = {1569-1578}, author = {Muthukumarasamy, Kalai Mangai and Handore, Kishor L. and Kakade, Dipti N. and Shinde, Madhuri V. and Ranjan, Shashi and Kumar, Naveen and Sehrawat, Seema and Sachidanandan, Chetana and Reddy, D. Srinivasa} } @article { ISI:000380625200002, title = {Immobilization of pectinase on reusable polymer support for clarification of apple juice}, journal = {Food and Bioproducts Processing}, volume = {99}, year = {2016}, month = {JUL}, pages = {12-19}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Pectinase (E.C.3.2.1.15) was successfully immobilized on recyclable polymer matrix. The immobilization matrix was prepared by reaction of polyethyleneimine (mol. wt. 70,000) with epoxy-activated acrylate copolymer DILBEAD-VWR. The enzyme pectinase was first adsorbed on the polymer at pH 7.0 via ion exchange and then stabilized by crosslinking with dextran aldehyde. While the free enzyme shows a pH-optimum of 5.0, the immobilized enzyme exhibited high level of activity in a broad pH range of pH 3.0-7.0. Although the thermal stability of free and immobilized enzymes was similar, at room temperature, the immobilized enzyme could be recycled more than 10 times with loss of less than 5\% of its activity during clarification of apple juice. On the eventual loss of enzyme activity, the immobilized enzyme and dextran aldehyde can be easily removed from the polymer by a simple treatment with 1N HCl and the polymer can be reused for immobilization of a fresh batch of enzyme. This support also can be reused several times, making the process economically attractive. The properties of apple juice treated with immobilized enzyme were similar to those of that treated with free pectinase. (C) 2016 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Apple juice, Dextran aldehyde, Immobilization, Pectinase, Polyethyleneimine, Polymer}, issn = {0960-3085}, doi = {10.1016/j.fbp.2016.03.004}, author = {Rajdeo, Kishor and Harini, Tirunagari and Lavanya, Kuna and Fadnavis, Nitin W.} } @article {42944, title = {In vitro and ex vivo antitubercular activity of diarylheptanoids from the rhizomes of alpinia officinarum hance}, journal = {Natural Product Research}, volume = {30}, year = {2016}, month = {MAR}, pages = {2825-2830}, abstract = {

Phytochemical investigation of methanol extract of the rhizomes of Alpinia officinarum Hance afforded four known diarylheptanoids 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 5-hydroxy-7-(4 {\textquoteright}{\textquoteright}-hydroxy-3 {\textquoteright}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone (3), and 7-(4 {\textquoteright}{\textquoteright}-hydroxy-3 {\textquoteright}{\textquoteright}-methoxyphenyl)-1-phenyl heptan-3-one (4).The acetate derivative of (4), 7-(4 {\textquoteright}{\textquoteright}-actetate-3 {\textquoteright}{\textquoteright}-methoxy phenyl)-1-phenyl heptan-3-one (5), was prepared. These diarylheptanoids exhibited promising in vitro and ex vivo antitubercular activity for the first time against dormant Mycobacterium tuberculosis H37Ra with the IC50 values between 0.3447.69 and 0.1322.91 mu M, respectively. All compounds showed comparable activity against Mycobacterium bovis BCG (dormant phage) and did not show any activity against two gram + ve and two gram -ve bacterial strains. These compounds were also weakly cytotoxic up to 300 mu M against three human cancer cell lines THP-1, Panc-1 and A549.

}, doi = {10.1080/14786419.2016.1149702}, author = {Honmore, Varsha S. and Rojatkar, Supada R. and Nawale, Laxman U. and Arkile, Manisha A. and Khedkar, Vijay M. and Natu, Arun D. and Sarkar, Dhiman} } @article { ISI:000375647900005, title = {Incorporation of rigid polyaromatic groups in polybenzimidazole-based polymeric ionic liquids: assertive effects on gas permeation properties}, journal = {Polymer}, volume = {93}, year = {2016}, month = {JUN}, pages = {30-36}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polymeric ionic liquids (PILs) have emerged as promising membrane materials for CO2 separation. The present work is aimed at investigating the effects of incorporation of rigid polyaromatic hydrocarbons, viz., pyrene and anthracene, in polybenzimidazole-based PILs. The effects of substituent and anion variation on the gas permeation properties of PILs using pure gases were examined at 20 atm upstream pressure. The results were correlated with physical properties of PILs. The pyrene substituted PIL exhibited similar to 10 fold increase in CO2 permeability as compared to its precursor polymer PBI-BuI. The combination of a CO2 specific anion and bulky group substitution offered higher CO2 permeability as well as appreciable permselectivity than their structural analogue that was devoid of IL functionality. The permeation properties of present PILs were superior to those of conventional glassy polymers such as polysulfone, matrimid and polycarbonate which are widely studied for their gas permeation properties. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Gas permeation, membranes, Polymeric ionic liquids}, issn = {0032-3861}, doi = {10.1016/j.polymer.2016.03.093}, author = {Shaligram, Sayali V. and Rewar, Anita S. and Wadgaonkar, Prakash P. and Kharul, Ulhas K.} } @book {45861, title = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {1-756}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {Industrial Catalytic Processes for Fine and Specialty Chemicals provides a comprehensive methodology and state-of-the art toolbox for industrial catalysis. The book begins by introducing the reader to the interesting, challenging, and important field of catalysis and catalytic processes. The fundamentals of catalysis and catalytic processes are fully covered before delving into the important industrial applications of catalysis and catalytic processes, with an emphasis on green and sustainable technologies. Several case studies illustrate new and sustainable ways of designing catalysts and catalytic processes. The intended audience of the book includes researchers in academia and industry, as well as chemical engineers, process development chemists, and technologists working in chemical industries and industrial research laboratories. Discusses the fundamentals of catalytic processes, catalyst preparation and characterization, and reaction engineering Outlines the homogeneous catalytic processes as they apply to specialty chemicals Introduces industrial catalysis and catalytic processes for fine chemicals Includes a number of case studies to demonstrate the various processes and methods for designing green catalysts.}, issn = {978-012801457-8}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85011771021\&origin=inward\&txGid=7c8f7f226127f1f797c566d20e205f17}, author = {Joshi, S. S. and Ranade, V. V.} } @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 { ISI:000373419900016, title = {Intensification of degradation of methomyl (carbamate group pesticide) by using the combination of ultrasonic cavitation and process intensifying additives}, journal = {Ultrasonics Sonochemistry}, volume = {31}, year = {2016}, month = {JUL}, pages = {135-142}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present work, the degradation of methomyl has been carried out by using the ultrasound cavitation (US) and its combination with H2O2, Fenton and photo-Fenton process. The study of effect of operating pH and ultrasound power density has indicated that maximum extent of degradation of 28.57\% could be obtained at the optimal pH of 2.5 and power density of 0.155 W/mL. Application of US in combination with H2O2, Fenton and photo-Fenton process has further accelerated the rate of degradation of methomyl with complete degradation of methomyl in 27 min, 18 min and 9 min respectively. Mineralization study has proved that a combination of US and photo -Fenton process is the most effective process with maximum extent of mineralization of 78.8\%. Comparison of energy efficiency and cost effectiveness of various processes has indicated that the electrical cost of 79892.34 Rs./m(3) for ultrasonic degradation of methomyl has drastically reduced to 2277.00 Rs./m(3), 1518.00 Rs./m(3) and 807.58 Rs./m(3) by using US in combination with H2O2, Fenton and photo-Fenton process respectively. The cost analysis has also indicated that the combination of US and photo-Fenton process is the most energy efficient and cost effective process. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Fenton, Hydrogen peroxide, Methomyl, Photo-Fenton, Synergistic coefficient, Ultrasound cavitation}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2015.12.015}, author = {Raut-Jadhav, Sunita and Pinjari, Dipak V. and Saini, Daulat R. and Sonawane, Shirish H. and Pandit, Aniruddha B.} } @article { ISI:000379456500042, title = {Intramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: access to substituted phenanthrenes}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {13}, year = {2016}, month = {JUL}, pages = {5663-5669}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple, facile, and environmentally benign intramolecular dehydrogenative coupling of various 1,2-diarylethylenes for the synthesis of phenanthrenes in excellent yield has been described. This new methodology uses ceric ammonium nitrate (CAN) as a promoter at room temperature and has been extended to intermolecular synthesis of biaryl compounds. The electron transfer from methoxyarene to cerium leads to cationic radical formation, which further proceeds to intramolecular coupling. Preliminary mechanistic investigation by EPR spectroscopy and density functional theory calculation suggested a similar view.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00507}, author = {Gupta, Vijay and Rao, V. U. Bhaskara and Das, Tamal and Vanka, Kumar and Singh, Ravi P.} } @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:000378303400010, title = {Ir(III)-catalyzed carbenoid functionalization of benzamides: synthesis of N-methoxyisoquinolinediones and N-methoxyisoquinolinones}, journal = {Organic Letters}, volume = {18}, number = {12}, year = {2016}, month = {JUN}, pages = {2828-2831}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A mild and efficient Ir(III)-catalyzed C-H carbenoid functionalization strategy has been developed to access. N-methoxyisoquinolinediones and N-methoxyisoquinolinones. The reaction proceeds efficiently in high yield at room temperature over a broad range of substrates without requirement of any additional oxidants or a base.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01072}, author = {Phatake, Ravindra S. and Patel, Pitambar and Ramana, Chepuri V.} } @article { ISI:000368563200037, title = {Ir(III)-catalyzed synthesis of isoquinoline N-oxides from aryloxime and alpha-diazocarbonyl compounds}, journal = {Organic Letters}, volume = {18}, number = {2}, year = {2016}, month = {JAN}, pages = {292-295}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient Ir(III)-catalyzed C-H activation and annulations of aryloxime with a-diazocarbonyl compounds has been developed for the synthesis of substituted isoquinoline N-oxides. The reaction proceeds under mild atmospheric conditions, without any external oxidants and releases N-2 and H2O as the byproducts. In addition, synthetic applications of the N-oxide products have been established by performing further functionalization. An interesting dimeric iridacyclic complex allied through a bis-silver carboxylate bridge has been isolated that efficiently catalyzed the reaction.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03462}, author = {Phatake, Ravindra S. and Patel, Pitambar and Ramana, Chepuri 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 {42557, title = {Isothermal titration calorimetric study of the ionic liquid solutions in alcohols in extreme dilutions: an investigation of ion-solvent interactions}, journal = {Journal of Solution Chemistry}, volume = {45}, year = {2016}, month = {AUG}, pages = {1313{\textendash}1331}, abstract = {

In this work an effort has been made to show the effect of an alcohol-rich environment on imidazolium-based ionic liquids at 298.15 K using an isothermal titration calorimeter. It is divulged from this study that the thermal behavior expressed in terms of excess partial molar enthalpy, \( H_{\text{IL}}^{\text{E}} \), of ionic liquids in various linear alcohols is governed by the increasing hydrophobicity of the residual alkyl group attached to the cation of an ionic liquid and to the alcohol molecules. An interesting observation about the systems consisting of ethylated residuals on both the cations of the ionic liquid and the alcohol molecules is that these systems do not follow the trend exhibited by other ionic liquid{\textendash}alcohol systems. Interesting information on ionic interactions is obtained by using a simple methodology that gives the enthalpic interaction parameter \( H_{{I{\text{L - IL}}}}^{\text{E}} \).

}, keywords = {Ionic liquidsAlcoholsExcess enthalpyIsothermal titration calorimeter}, doi = {10.1007/s10953-016-0502-x}, author = {Rai, Gitanjali and Jain, Preeti and Kumar, Anil} } @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:000372981400010, title = {Ligand-free Pd catalyzed cross-coupling reactions in an aqueous hydrotropic medium}, journal = {Green Chemistry}, volume = {18}, number = {7}, year = {2016}, month = {NOV}, pages = {1898-1911}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple, efficient and ligand-free protocol for the Suzuki-Miyaura reaction and base-free Heck-Matsuda reactions under mild reaction conditions have been developed over palladium supported on activated carbon (Pd/C) in an aqueous hydrotropic solution. The catalyst Pd/C was fully characterized by TG-DTA, SEM, EDS, XRD, XPS, BET and ICP-AES analyses. This green methodology represents a cost-effective and operationally convenient method for the synthesis of a variety of biaryls, prochiral ketones, and acrylates under the conditions that are tolerant for a broad range of functional groups with good to excellent yields. The developed Pd/C-aqueous hydrotrope combined catalytic system is well suited for the 3R approach (reducible, robust, and recyclable) for different cross-coupling reactions without an appreciable loss of its activity.

}, issn = {1463-9262}, doi = {10.1039/c5gc02314a}, author = {Jadhav, Sanjay N. and Kumbhar, Arjun S. and Rode, Chadrashekhar V. and Salunkhe, Rajashri S.} } @article { ISI:000370101800013, title = {Mixing studies in unbaffled stirred tank reactor using electrical resistance tomography}, journal = {Flow Measurement and Instrumentation}, volume = {47}, year = {2016}, month = {MAR}, pages = {110-121}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Unbaffled stirred tanks are extensively used in chemical process industries for variety of applications including semi-batch reactions. In un-baffled stirred tanks, impeller rotation generates a vortex and reactants are added into this vortex. There is a growing interest towards understanding the mixing performance of such unbaffled stirred vessels. The present work is aimed at providing experimental results on mixing time and solid particle distribution inside an unbaffled vessel using electrical resistance tomography (ERT). A methodology for using ERT for characterizing vortex and mixing in unbaffled stirred vessel was established. The ERT was used to measure the mixing time with and without solid particles (glass beads, 250 mu m) in a stirred reactor. In this study, ERT technique was effectively applied for imaging solid-liquid flow and developed suitable data processing methodologies. It observed that estimated liquid phase mixing time for Un-baffled vessel was more as compared to baffled vessel. Radial solid concentration profiles showed Gaussian distribution inside the vessel. The presented methodology of using ERT and experimental results will be useful for designing and estimating mixing and solid distribution in unbaffled stirred tanks. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {ERT, Mixing time, Radial solid concentration, Unbaffled stirred tank}, issn = {0955-5986}, doi = {10.1016/j.flowmeasinst.2016.01.003}, author = {Sardeshpande, Madhavi V. and Kumar, Gaurav and Aditya, T. and Ranade, Vivek V.} } @article {43420, title = {Modified photo-electrochemical and photo-voltaic properties of solvothermally crystallised TiO2 nanotube arrays}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {12427-12437}, abstract = {TiO2 nanotube arrays formed by electrochemical anodization of Ti metal foil are crystallized through a solvothermal technique at 200 A degrees C (as compared to conventional annealing at 550 A degrees C), which results in anatase phase with granular morphology. The photo-current measurements reveal a higher current-density under the visible light for solvothermally crystallized samples. The photo-current behavior has been analysed and correlated with defect state characterization using X-ray photo-electron spectroscopy, Photo-luminescence, Electron paramagnetic resonance and Mott-Schottky measurements. These studies indicate an oxygen vacancy related defect state at 1.14 eV below the conduction band. Also, the density of defect states in solvothermally crystallised samples is an order of magnite, the photo-voltaic properties are studied through dye-sensitised solar cells. I-Vude higher than that in conventionally annealed samples. Furthermor characteristics of DSSC fabricated with solvothermally crystallised samples show comparable efficiency but higher dye-adsorption with respect to the conventionally annealed samples. Such a comparable efficiency at a lower thermal budget leads to reduced {\textquoteright}energy pay-back time{\textquoteright} in solar cells fabricated with solvothermally crystallised TiO2 nanotube arrays. Finally, we demonstrate a proof-of-concept design of flexible solar cell based on TiO2 nanotubes grown on Kapton substrate and crystallised through the solvothermal technique.}, doi = {10.1007/s10854-016-5248-0}, author = {Banki, Manmadha Rao and Tathavadekar, Mukta and Chunchu, Venkatrao and Roy, Somnath C.} } @article { ISI:000382079800019, title = {Modulation of charge carrier mobility by side-chain engineering of bi(thienylenevinylene)thiophene containing PPE-PPVs}, journal = {RSC Advances}, volume = {6}, number = {57}, year = {2016}, month = {MAY}, pages = {51642-51648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Four 2-dimensional conjugated poly(p-phenylene-ethynylene)-alt-poly(p-phenylene-vinylene) polymers containing a lateral bi(thienylenevinylene)thiophene unit (BTE-PVs) were synthesised and characterised. The investigated polymers share the same conjugated structure, but differ in the anchoring positions of solubilising linear octyloxy/branched 2-ethylhexyloxy side-chains. UV-vis spectra of the polymers in dilute chloroform solutions and as thin films were studied. X-Ray diffraction patterns as well as the bulk charge transport of polymer films cast from chlorobenzene solutions were also investigated. A dramatic effect of the solubilising side-chains on the charge carrier mobility of BTE-PV films was observed, with bulk hole mobility values ranging between 1.3 x 10(-5) cm(2) V-1 s(-1) and 2.2 x 10(-2) cm(2) V-1 s(-1), which is not ascribable to evident structural variations of the polymer films. It is shown that the combination of linear octyloxy and branched 2-ethylhexyloxy side-chains is favorable for the charge transport properties of BTE-PVs, compared to the incorporation of only linear or only branched side-chains.

}, issn = {2046-2069}, doi = {10.1039/c6ra00858e}, author = {Jadhav, Rupali R. and Camaioni, Nadia and Oppelt, Kerstin and Tinti, Francesca and Gazzano, Massimo and Fattori, Valeria and Wadgaonkar, Prakash P. and Rathgeber, Silke and Hoppe, Harald and Egbe, Daniel A. M.} } @article { 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 {45867, title = {Multifunctional copper dimer: structure, band gap energy, catalysis, magnetism, oxygen reduction reaction and proton conductivity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {APR}, pages = {37515-37521}, type = {Article}, abstract = {A new dimeric copper complex namely, [Cu2(PDA)2(Ald)2(H2O)2]{\textperiodcentered}8H2O, 1, (where PDA = 2,4-pyridine dicarboxylic acid, Ald = aldrithiol) has been synthesized through a slow diffusion technique. Compound 1 is a molecular structure and assembled through H-bonding forming a supramolecular architecture. The CuO2N3 units bridged through an aldrithiol molecule to form the dimeric structure. The lattice water molecules are linked through H-bonding to form the decameric water cluster. The decameric water clusters are H-bonded to each other to form the 1D chain which resulted in excellent water stability and conduction of protons under humid conditions. Band gap energy and magnetic measurements show that compound 1 is a semiconductor and paramagnetic in nature. Further the compound is shown as a selective heterogeneous catalyst for styrene and cyclohexene epoxidation. This also shows a facile oxygen reduction reaction (ORR) and can be used as a promising Pt-free cathode in alkaline Direct Methanol Fuel Cells (DMFC). The present results suggest that compound 1 is a promising multifunctional material}, doi = {10.1039/C6RA05961A }, author = {Sarkar, D. and Chandra Rao, P. and Aiyappa, H. B. and Kurungot, S. and Mandal, S. and Ramanujam, K. and Mandal, S.} } @article { ISI:000380599800018, title = {Multi-gram scale synthesis of hunanamycin A, an antibiotic natural product from the marine source}, journal = {Tetrahedron Letters}, volume = {57}, number = {32}, year = {2016}, month = {AUG}, pages = {3662-3663}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple, practical, and biomimetic approach to access antibiotic natural product hunanamycin A starting from readily available inexpensive material Riboflavin is disclosed here. The present synthesis consists of three operationally simple, protecting group free steps and it is far superior when compared with the previous route. Using this route one can make multi-gram quantities of the natural product which will help in further biological assays, in particular exploring the potential of treating food infections. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Antibacterial, Biomimetic synthesis, Gram scale synthesis, Natural product, Riboflavin}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.07.003}, author = {Shingare, Rahul D. and Farhana, Sa Ada and Reddy, D. Srinivasa} } @article { ISI:000374351200005, title = {Next-generation ammonia pretreatment enhances cellulosic biofuel production}, journal = {Energy \& Environmental Science}, volume = {9}, number = {4}, year = {2016}, month = {FEB}, pages = {1215-1223}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new liquid ammonia pretreatment methodology called Extractive Ammonia (EA) was developed to simultaneously convert native crystalline cellulose I-beta (CI) to a highly digestible cellulose IIII (CIII) allomorph and selectively extract up to B45\% of the lignin from lignocellulosic biomass with near-quantitative retention of all polysaccharides. EA pretreated corn stover yielded a higher fermentable sugar yield compared to the older Ammonia Fiber Expansion (AFEX) process while using 60\% lower enzyme loading. The EA process preserves extracted lignin functionalities, offering the potential to co-produce lignin-derived fuels and chemicals in the biorefinery. The single-stage EA fractionation process achieves high biofuel yields (18.2 kg ethanol per 100 kg untreated corn stover, dry weight basis), comparable to those achieved using ionic liquid pretreatments. The EA process achieves these ethanol yields at industrially-relevant conditions using low enzyme loading (7.5 mg protein per g glucan) and high solids loading (8\% glucan, w/v).

}, issn = {1754-5692}, doi = {10.1039/c5ee03051j}, author = {Sousa, Leonardo da Costa and Jin, Mingjie and Chundawat, Shishir P. S. and Bokade, Vijay V. and Tang, Xiaoyu and Azarpira, Ali and Lu, Fachuang and Avci, Utku and Humpula, James and Uppugundla, Nirmal and Gunawan, Christa and Pattathil, Sivakumar and Cheh, Albert M. and Kothari, Ninad and Kumar, Rajeev and Ralph, John and Hahn, Michael G. and Wyman, Charles E. and Singh, Seema and Simmons, Blake A. and Dale, Bruce E. and Balan, Venkatesh} } @article { ISI:000369072900005, title = {N-heterocyclic-carbene-catalyzed regioselective oxidative ring-opening of epoxides with aromatic aldehydes: a facile entry to alpha-acyloxyketones}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {1}, year = {2016}, month = {JAN}, pages = {48-51}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A high-yielding synthesis of -acyloxyketones using a N-heterocyclic-carbene (NHC)-catalyzed, oxidative ring-opening of epoxides with aromatic aldehydes is described. This regioselective, oxidative process utilizes a N-bromosuccinimide (NBS)/DMSO combination as the oxidant system and Et3N as the base under mild reaction conditions.

}, keywords = {aldehydes, epoxides, halogen oxidants, N-heterocyclic carbenes, oxygen}, issn = {2193-5807}, doi = {10.1002/ajoc.201500355}, author = {Reddi, Rambabu N. and Gontala, Arjun and Prasad, Pragati K. and Sudalai, Arumugam} } @article { ISI:000382652800001, title = {Non-catalytic deep desulphurization process using hydrodynamic cavitation}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {SEP}, pages = {Article Number: 33021}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

A novel approach is developed for desulphurization of fuels or organics without use of catalyst. In this process, organic and aqueous phases are mixed in a predefined manner under ambient conditions and passed through a cavitating device. Vapor cavities formed in the cavitating device are then collapsed which generate (in-situ) oxidizing species which react with the sulphur moiety resulting in the removal of sulphur from the organic phase. In this work, vortex diode was used as a cavitating device. Three organic solvents (n-octane, toluene and n-octanol) containing known amount of a model sulphur compound (thiophene) up to initial concentrations of 500 ppm were used to verify the proposed method. A very high removal of sulphur content to the extent of 100\% was demonstrated. The nature of organic phase and the ratio of aqueous to organic phase were found to be the most important process parameters. The results were also verified and substantiated using commercial diesel as a solvent. The developed process has great potential for deep of various organics, in general, and for transportation fuels, in particular.

}, issn = {2045-2322}, doi = {10.1038/srep33021}, author = {Suryawanshi, Nalinee B. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ranade, Vivek V.} } @article {43000, title = {Notch1-MAPK signaling axis regulates CD133+ cancer stem cell-mediated melanoma growth and angiogenesis}, journal = {Journal of Investigative Dermatology}, volume = {136}, year = {2016}, month = {DEC}, pages = {2462-2474}, abstract = {

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

}, doi = {10.1016/j.jid.2016.07.024}, author = {Kumar, Dhiraj and Kumar, Santosh and Gorain, Mahadeo and Tomar, Deepti and Patil, Harshal S. and Radharani, Nalukurthi N. V. and Kumar, Totakura V. S. and Patil, Tushar V. and Thulasiram, Hirekodathakallu V. and Kundu, Gopal C.} } @article { ISI: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 { ISI:000369771800068, title = {O-Quinone methides via oxone-mediated benzofuran oxidative dearomatization and their intramolecular cycloaddition with carbonyl groups: an expeditious construction of the central tetracyclic core of integrastatins, epicoccolide A, and epicocconigrone A}, journal = {Organic Letters}, volume = {18}, number = {3}, year = {2016}, month = {FEB}, pages = {612-615}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The intramolecular cycloaddition of o-quinone methides (o-QMs) with a carbonyl group has been envisaged and executed successfully in the context of constructing the complex and rare [6,6,6,6]-tetracyclic core found in the integrastatins, epicoccolide A, and epicocconigrone A. These transient o-QMs were generated easily from the oxidative dearomatization of the corresponding C2-(aryl)benzofuran by employing Oxone in acetone-water at rt. The subsequent cydoaddition with the carbonyl (or conjugated olefin) present on the C2-aryl group was spontaneous.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03707}, author = {More, Atul A. and Ramana, Chepuri V.} } @article {42843, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au(I)/Au(III)-catalysis: discovery of pyridinium-oxazole dyad as novel lonic fluorophore}, journal = {Angewandte Chemie International Edition}, year = {2016}, month = {JAN}, doi = {10.1002/anie.201609335R1}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @article { ISI:000367612000010, title = {Penicillin acylases revisited: importance beyond their industrial utility}, journal = {Critical Reviews In Biotechnology}, volume = {36}, number = {2}, year = {2016}, month = {MAR}, pages = {303-316}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

It is of great importance to study the physiological roles of enzymes in nature; however, in some cases, it is not easily apparent. Penicillin acylases are pharmaceutically important enzymes that cleave the acyl side chains of penicillins, thus paving the way for production of newer semi-synthetic antibiotics. They are classified according to the type of penicillin (G or V) that they preferentially hydrolyze. Penicillin acylases are also used in the resolution of racemic mixtures and peptide synthesis. However, it is rather unfortunate that the focus on the use of penicillin acylases for industrial applications has stolen the spotlight from the study of the importance of these enzymes in natural metabolism. The penicillin acylases, so far characterized from different organisms, show differences in their structural nature and substrate spectrum. These enzymes are also closely related to the bacterial signalling phenomenon, quorum sensing, as detailed in this review. This review details studies on biochemical and structural characteristics of recently discovered penicillin acylases. We also attempt to organize the available insights into the possible in vivo role of penicillin acylases and related enzymes and emphasize the need to refocus research efforts in this direction.

}, keywords = {beta-lactam, choloyl glycine, in vivo role, Ntn hydrolases, pathogenicity, quorum sensing, regulation, signalling}, issn = {0738-8551}, doi = {10.3109/07388551.2014.960359}, author = {Avinash, Vellore Sunder and Pundle, Archana Vishnu and Ramasamy, Sureshkumar and Suresh, Cheravakkattu Gopalan} } @article { ISI:000369603400016, title = {Phenothiazine and carbazole substituted pyrene based electroluminescent organic semiconductors for OLED devices}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {5}, year = {2016}, month = {DEC}, pages = {1009-1018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Due to their easy availability, low cost and opportunities for exploiting reactions of bromo substituents, 1,3,6,8-tetrabromopyrene has attracted major attention in the organic electronics community for designing and constructing novel classes of pyrene based organic semiconducting functional materials. In the present work, 1,3,6,8-tetrabromo pyrene was transformed into the corresponding tetrasubstituted carbazole and phenothiazine derivatives using the classical Suzuki coupling reaction. These newly synthesized materials with a carbazole substituent (PY-CA) and a phenothiazine substituent (PY-PH) were characterised thoroughly and were successfully used as an active light-emitting layer in organic light emitting diodes which resulted in blue and green emission with promising device performance. PY-CA exhibited the maximum brightness at around 2500 cd m(-2) and the power efficiency of 1.5 lm W-1 while that of PY-PH exhibited 2116 cd m(-2) and 0.45 lm W-1 respectively.

}, issn = {2050-7526}, doi = {10.1039/c5tc03690a}, author = {Salunke, Jagadish K. and Wong, F. L. and Feron, Krishna and Manzhos, Sergei and Lo, Ming Fai and Shinde, Durgaprasad and Patil, Abhijeet and Lee, C. S. and Roy, V. A. L. and Sonar, Prashant and Wadgaonkar, Prakash P.} } @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:000363852200028, title = {Polybenzimidazole based polymeric ionic liquids possessing partial ionic character: effects of anion exchange on their gas permeation properties}, journal = {Journal of Membrane Science}, volume = {497}, year = {2016}, month = {JAN}, pages = {282-288}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymeric ionic liquids (PILs) are emerging as promising membrane materials for CO2 separation. Present work is in continuation with our earlier efforts on evaluating gas permeation properties (especially, CO2) of film forming PILs based on polybenzimidazoles and efforts towards improving their permeability by structural tuning. This work specifically aims at evaluating effect of anion variation in chosen PILs possessing partial N-quaternization of imidazole moiety of PBI-Bul. Three anions (viz., Tf2N-, BF4- and Ac-) were chosen for the bromide exchange of two PILs, viz., [TBzPBI-Bul][Br](10) and [TBzPBI-Bul][Br](18), possessing degree of PEI N-quaternization (DQ) as 10 and 18\%, respectively. Concurrent effects of variation in anion and DQ were analyzed in terms of physical and gas permeation properties of the resulting PILs. All of them possessed amorphous nature, adequate thermal stability ( \>= 250 degrees C) and solvent solubility, which are primary requisites towards their applicability as a membrane material. PILs possessing BF4- anion exhibited improved CO2 permeability coefficient as well as its permselectivity over CH4 and N-2, in comparison to their counterparts with other anions. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Anion exchange, Gas separation, Polybenzimidazole, Polymeric ionic liquids (PILs)}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.09.019}, author = {Rewar, Anita S. and Shaligram, Sayali V. and Kharul, Ulhas K.} } @article {42861, title = {Porous thin films towards bridging the material gap in heterogeneous catalysis}, journal = {Catalysis, Structure \& Reactivity}, volume = {2}, year = {2016}, month = {MAR}, pages = {1-12}, type = {Article}, abstract = {

An attempt has been made to bridge the material gap, existing between ideal single crystals and real-world powder nanocatalyst employed in surface science and heterogeneous catalysis, respectively. Simple wet chemical method (sol{\textendash}gel and spin-coating deposition) has been applied to make continuous Ce1 - xZrxO2 (x = 0{\textendash}1) (CZ) thin films with uniform thickness (~40 nm) and smooth surface characteristics. Uniform thickness and surface smoothness of the films over a large area was supported by a variety of measurements. Molecular beam (MB) studies of O2 adsorption on CZ surfaces reveals the oxygen storage capacity (OSC), and sticking coefficient increases from 400 to 800 K. Porous nature of Ce-rich CZ compositions enhances O2 adsorption and OSC, predominantly due to O-diffusion and redox nature, even at 400 K. A good correlation exists between MB measurements made on CZ films for oxygen adsorption, and OSC, and ambient pressure CO oxidation on powder form of CZ; this demonstrates the large potential to bridge the material gap. CZ was particularly chosen as a model system for the present studies, since it has been well-studied and a correlation between surface science properties made on thin films and catalysis on powder CZ materials could be a litmus test. Ambient catalysis on ceria-zirconia nanocatalyst correlates well with surface properties measured through molecular beam on thinfilm and close the material gap.

}, doi = {10.1080/2055074X.2015.1133269}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gnanakumar, Edwin S. and Roy, Kanak and Vinod, C. P. and Gopinath, Chinnakonda S.} } @article { ISI:000371428800003, title = {Probing the ATP-induced conformational flexibility of the PcrA helicase protein using molecular dynamics simulation}, journal = {Journal of Molecular Modeling}, volume = {22}, number = {3}, year = {2016}, month = {MAR}, pages = {54}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Helicases are enzymes that unwind double-stranded DNA (dsDNA) into its single-stranded components. It is important to understand the binding and unbinding of ATP from the active sites of helicases, as this knowledge can be used to elucidate the functionality of helicases during the unwinding of dsDNA. In this work, we investigated the unbinding of ATP and its effect on the active-site residues of the helicase PcrA using molecular dynamic simulations. To mimic the unbinding process of ATP from the active site of the helicase, we simulated the application of an external force that pulls ATP from the active site and computed the free-energy change during this process. We estimated an energy cost of similar to 85 kJ/mol for the transformation of the helicase from the ATP-bound state (1QHH) to the ATP-free state (1PJR). Unbinding led to conformational changes in the residues of the protein at the active site. Some of the residues at the ATP-binding site were significantly reoriented when the ATP was pulled. We observed a clear competition between reorientation of the residues and energy stabilization by hydrogen bonds between the ATP and active-site residues. We also checked the flexibility of the PcrA protein using a principal component analysis of domain motion. We found that the ATP-free state of the helicase is more flexible than the ATP-bound state.

}, keywords = {ATP, DNA helicase, PcrA, Residue reorientation, Translocation, Umbrella sampling, Unwinding}, issn = {1610-2940}, doi = {10.1007/s00894-016-2922-3}, author = {Mhashal, Anil R. and Choudhury, Chandan Kumar and Roy, Sudip} } @article { ISI:000364655000057, title = {Processing of TGA data: analysis of isoconversional and model fitting methods}, journal = {Fuel}, volume = {165}, year = {2016}, month = {FEB}, pages = {490-498}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Thermogravimetric analysis (TGA) is routinely used to characterize coal. Apart from proximate analysis, TGA data is also used to characterize kinetics of devolatilization and char combustion. Various methods have been proposed to process the TGA data [isoconversional or model free methods such as Friedman method, Kissinger method, Flynn-Wall-Ozawa method (FWO), Kissinger-Akahira-Sunose method (KAS) or single or multi-reaction models (SRMs/MRMs) and distributed activation energy models (DAEMs)]. In this work, we have critically examined various models for processing TGA data obtained with typical Indian coal. A generalized equation has been proposed to encompass different models as special cases. We have also considered a model based on a possibility of distribution of frequency factor along with constant or distribution of activation energies. The results of TGA data described by different models were critically analyzed. The presented results and methodology will be useful for selecting appropriate strategy for processing TGA data. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {DAEM, High ash coal, Isoconversional methods, Pyrolysis, TGA}, issn = {0016-2361}, doi = {10.1016/j.fuel.2015.10.042}, author = {Jain, Ankit A. and Mehra, Anurag and Ranade, Vivek V.} } @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:000369508800059, title = {Promotional effect of Fe on the performance of supported Cu catalyst for ambient pressure hydrogenation of furfural}, journal = {RSC Advances}, volume = {6}, number = {5}, year = {2016}, month = {DEC}, pages = {3888-3898}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A noble-metal free FeCu based bimetallic catalyst system prepared by facile co-impregnation method was found to be highly admirable for vapour phase selective hydrogenation of furfural to furfuryl alcohol at ambient pressure. Monometallic Cu/gamma-Al2O3, Fe/gamma-Al2O3 and bimetallic FeCu/gamma-Al2O3 catalysts with different Fe loadings were prepared. Structural and morphological features of the catalysts were thoroughly investigated by several physico-chemical characterization techniques. The influence of various reaction parameters, such as Fe loading, reaction temperature and flow of reactants was examined with respect to furfural conversion and furfuryl alcohol yield. The results clearly showed that an optimum amount of Fe is necessary to enhance the catalytic activity of monometallic Cu/gamma-Al2O3 for the selective hydrogenation of furfural. The catalyst FC-10 with 10 wt\% Fe exhibited excellent activity which led to high furfural conversion (\>93\%) and furfuryl alcohol selectivity (\>98\%) under mild reaction conditions. The higher activity of bimetallic FeCu/gamma-Al2O3 compared to monometallic Cu/gamma-Al2O3 is ascribed to the formation of FeCu bimetallic particles and the existence of oxygen vacancies in the Fe oxide system. The superior activity after Fe loading on the Cu-based catalyst was attributed to the synergy between Cu and Fe. A plausible mechanism is proposed to explain the promoting effect of Fe, which involves synergism between Fe sites with strong oxophilic nature and Cu sites with a high ability for hydrogen activation. Based on the activity results, prolonged catalytic activity and spent catalyst analysis, the developed FeCu/gamma-Al2O3 catalyst is inexpensive, eco-benign and robust, which makes it a promising candidate for the efficient conversion of biomass-derived substrates to fine chemicals and drop-in biofuels.

}, issn = {2046-2069}, doi = {10.1039/c5ra24742j}, author = {Manikandan, Marimuthu and Venugopal, Ashok Kumar and Nagpure, Atul S. and Chilukuri, Satyanarayana V. and Raja, Thirumalaiswamy} } @article {42993, title = {Protein-dependent membrane interaction of a partially disordered protein complex with oleic acid : Implications for cancer lipidomics}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, abstract = {

Bovine α-lactalbumin (BLA) forms cytotoxic complexes with oleic acid (OA) that perturbs tumor cell membranes, but molecular determinants of these membrane-interactions remain poorly understood. Here, we aim to obtain molecular insights into the interaction of BLA/BLA-OA complex with model membranes. We characterized the folding state of BLA-OA complex using tryptophan fluorescence and resolved residue-specific interactions of BLA with OA using molecular dynamics simulation. We integrated membrane-binding data using a voltage-sensitive probe and molecular dynamics (MD) to demonstrate the preferential interaction of the BLA-OA complex with negatively charged membranes. We identified amino acid residues of BLA and BLA-OA complex as determinants of these membrane interactions using MD, functionally corroborated by uptake of the corresponding α-LA peptides across tumor cell membranes. The results suggest that the α-LA component of these cytotoxic complexes confers specificity for tumor cell membranes through protein interactions that are maintained even in the lipid complex, in the presence of OA.

}, doi = {10.1038/srep35015}, author = {Chaudhuri, Arunima and Prasanna, Xavier and Agiru, Priyanka and Chakraborty, Hirak and Rydstrom, Anna and Ho, James C. S. and Svanborg, Catharina and Sengupta, Durba and Chattopadhyay, Amitabha} } @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: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 {45869, title = {Recursive orthogonal least square based soft sensor for batch distillation}, journal = {Chemical product and process modeling}, volume = {11}, year = {2016}, month = {SEP}, pages = {241-263}, type = {Article}, abstract = {A multiple-input and multiple-output (MIMO) model, namely Recursive Orthogonal Least Square (ROLS) based radial basis function (RBF) is developed to estimate product compositions in a batch distillation process from temperature measurements. The process data is generated by simulating the differential equations of the batch distillation process, changing the initial feed composition and boiluprate from batch to batch. Moreover, the reflux ratio is also randomly varied within each batch to represent the exact dynamics of the batch distillation. Temperature and distillate composition is correlated by the RBF trained by ROLS algorithm. A Single RBF network estimate the quality of products in real-time. The results show that ROLS based estimator give correct composition estimations for a batch distillation process. The robustness of the ROLS algorithm and low computational requirement makes the estimator attractive for on-line use. }, doi = {10.1515/cppm-2015-0071}, author = {Mehta, S. and Ramani, H. and Yelgatte, N. N. and Rahman, I.} } @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 { ISI:000369545400074, title = {Re-engineering of PIP3-antagonist triazole PITENIN{\textquoteright}s chemical scaffold: development of novel antifungal leads}, journal = {RSC Advances}, volume = {6}, number = {14}, year = {2016}, month = {JAN}, pages = {11691-11701}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra25145a}, author = {Pulya, Sravani and Kommagalla, Yadagiri and Sant, Duhita G. and Jorwekar, Shweta U. and Tupe, Santosh G. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article { ISI:000369771800040, title = {Regioselective oxo-amination of alkenes and enol ethers with N-bromosuccinimide-dimethyl sulfoxide combination: a facile synthesis of alpha-amino-ketones and esters}, journal = {Organic Letters}, volume = {18}, number = {3}, year = {2016}, month = {FEB}, pages = {500-503}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unprecedented conversion of alkenes and enol ethers to the corresponding a-imido carbonyl compounds with excellent regioselectivity and yields has been developed. This oxo-amination process employs readily available N-bromosuccinimide (NBS) and secondary amines as N-sources and dimethyl sulfoxide (DMSO) as the oxidant and also leads to the production of amino alcohols in a single step on reduction, thus broadening the scope of this operationally simple reaction. For the first time, the formation of reactive Me2S+-O-Br species generated by the interaction of NBS with DMSO has been proven.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03540}, author = {Prasad, Pragati K. and Reddi, Rambabu N. and Sudalai, Arumugam} } @article { ISI:000373762400005, title = {Reporter nanoparticle that monitors its anticancer efficacy in real time}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {113}, number = {15}, year = {2016}, month = {APR}, pages = {E2104-E2113}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

The ability to monitor the efficacy of an anticancer treatment in real time can have a critical effect on the outcome. Currently, clinical readouts of efficacy rely on indirect or anatomic measurements, which occur over prolonged time scales postchemotherapy or postimmunotherapy and may not be concordant with the actual effect. Here we describe the biology-inspired engineering of a simple 2-in-1 reporter nanoparticle that not only delivers a cytotoxic or an immunotherapy payload to the tumor but also reports back on the efficacy in real time. The reporter nanoparticles are engineered from a novel two-staged stimuli-responsive polymeric material with an optimal ratio of an enzyme-cleavable drug or immunotherapy (effector elements) and a drug function-activatable reporter element. The spatiotemporally constrained delivery of the effector and the reporter elements in a single nanoparticle produces maximum signal enhancement due to the availability of the reporter element in the same cell as the drug, thereby effectively capturing the temporal apoptosis process. Using chemotherapy-sensitive and chemotherapy-resistant tumors in vivo, we show that the reporter nanoparticles can provide a real-time noninvasive readout of tumor response to chemotherapy. The reporter nanoparticle can also monitor the efficacy of immune checkpoint inhibition in melanoma. The self-reporting capability, for the first time to our knowledge, captures an anticancer nanoparticle in action in vivo.

}, keywords = {chemotherapy, immunotherapy, monitoring, nanoparticle, reporter}, issn = {0027-8424}, doi = {10.1073/pnas.1603455113}, author = {Kulkarni, Ashish and Rao, Poornima and Natarajan, Siva and Goldman, Aaron and Sabbisetti, Venkata S. and Khater, Yashika and Korimerla, Navya and Chandrasekar, Vineethkrishna and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article {42900, title = {Repurposing of a drug scaffold: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {723-730}, abstract = {

The structural similarity between an MmpL3 inhibitor BM212, and a cannabinoid receptor modulator rimonabant, prompted us to investigate the anti-tubercular activity of rimonabant and its analogues. Further optimization, particularly through incorporation of silicon into the scaffold, resulted in new compounds with significant improvement in anti-tubercular activity against Mycobacterium tuberculosis (H37Rv). The sila analogue 18a was found to be the most potent antimycobacterial compound (MIC, 31 ng/mL) from this series with an excellent selectivity index. (C) 2016 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2016.07.009}, author = {Ramesh, Remya and Shingare, Rahul D. and Kumar, Vinod and Anand, Amitesh and Swetha, B. and Veeraraghavan, Sridhar and Viswanadha, Srikant and Ummanni, Ramesh and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000374876700814, title = {Repurposing of old drugs: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {International Journal of Infectious Diseases}, volume = {45}, number = {1}, year = {2016}, month = {APR}, pages = {407-408}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, issn = {1201-9712}, doi = {10.1016/j.ijid.2016.02.870}, author = {Ramesh, R. and Shingare, R. and Anand, Amitesh and Veeraraghavan, S. and Viswanadha, S. and Ummanni, R. and Gokhale, R. and Reddy, D. S.} } @article { ISI:000374349600022, title = {Residue dependent hydrogen-bonding preferences in orthanilic acid-based short peptide beta-turn motifs}, journal = {RSC Advances}, volume = {6}, number = {42}, year = {2016}, month = {MAR}, pages = {35328-35331}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the competition between native beta-turn (C10) and 2-aminobenzenesulfonic acid (SAnt)( orthanilic acid)-based pseudo beta-turn (C11) in their hybrid peptides. Solid-state crystal structure and solution-state NMR studies revealed that C10 and C11 can be simultaneously observed under appropriate conditions. The variable temperature NMR coefficient data suggest that the isolated C11/C14 hydrogen bond is weaker in comparison with the consecutive C10 and C11 turns.

}, issn = {2046-2069}, doi = {10.1039/c6ra05684a}, author = {Jedhe, Ganesh S. and Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Sangtani, Ekta and Shinde, Dinesh R. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {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 {43592, title = {Role of aliasing and interacting factors in the enhanced production of dehalogenase from Yarrowia lipolytica for degradation of brominated compounds}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {41}, year = {2016}, month = {SEP}, pages = {114-121}, abstract = {Use of persistent organobromines for industrial applications has led to their accumulation in environment. Yarrowia lipolytica NCIM 3589, a tropical marine yeast, degrades and detoxifies bromocompounds by an initial hydrolytic step. By optimizing culture conditions with 1-bromodecane as reference compound, the dehalogenase involved was remarkably enhanced 13-fold (384.13 U/ml) by a hybrid statistical Plackett-Burman and Box-Behnken design of experiments. Studies bring out in a novel way the role of aliasing and other masked interactions in growth media factors. Importantly, the enzyme acted on C3-C16 bromoalkanes and bromoaromatics, thereby generalizing the {\textquoteright}green chemistry{\textquoteright} applicability of optimized media formulation for biotechnological applications. (C) 2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jiec.2016.07.015}, author = {Vatsal, Aakanksha and Potdar, Chirag and Smita S. Zinjarde and Kumar, V. Ravi and Kulkarni, Bhasker D. and RaviKumar, Ameeta} } @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} } @article {43617, title = {Scalability of coarse-grained potentials generated from iterative boltzmann inversion forpolymers: case study on polycarbonates}, journal = {Macromolecular Theory and Simulations}, volume = {25}, year = {2016}, month = {MAY}, pages = {274-286}, abstract = {Using systematic coarse-grained (CG) techniques such as iterative Boltzmann inversion (IBI) is an efficient means to simulate high molecular weight polymer melts within reasonable computational time. One drawback of such an approach is however the need to carry out extensive atomistic simulations in order to extrapolate the necessary distributions to derive the inter and intrabead force field parameters. Here it is shown that it is possible to use atomistic simulations of relative short oligomers to develop the CG model for high molecular weight polymers. In particular for the specific case of polycarbonates, it is found that the structural properties (end-to-end distance, radius of gyration and their distributions) are similar irrespective of whether the CG potentials are derived from 5-mer or 10-mer melt systems. Dynamical properties of the CG systems are smoother and faster than the atomistic ones. Scaling factor, derived by overlapping the CG mean square displacement curves (obtained from different CG IBI potentials) over the atomistic ones, also scales the autocorrelation functions. A prediction of the dynamical scaling factor in the case of the unavailability of atomistic simulations is also discussed. The dynamical properties of the CG melts are modeled reasonably well by all the CG potentials derived from atomistic simulations of short oligomers.}, doi = {10.1002/mats.201500079}, author = {Choudhury, Chandan Kumar and Carbone, Paola and Roy, Sudip} } @article {42546, title = {Selectivity engineering of the diazotization reaction in a continuous flow reactor}, journal = {Reaction Chemistry \& Engineering}, volume = {1}, year = {2016}, month = {APR}, pages = {387-396}, abstract = {

In situ generated diazonium salts are useful intermediates for the synthesis of fine chemicals and active pharmaceutical ingredients. This paper presents a methodology for selectivity engineering of the diazotization reaction in a continuous reactor. The yield of diazotization was found to depend on mixing, dispersion, reaction kinetics, operating temperature and residence time. Initially, experimental data and an isothermal axial dispersion model were used for estimating mixing time. A correlation for estimating mixing time for different flow reactors is proposed. The model predictions were compared with the experimental data. The validated axial dispersion model and Central Composite Design (CCD) were used to optimize diazotization in a straight tube reactor (1.78 mL). The model was then used for scaling-up of aniline diazotization from a straight tube reactor to a proprietary AmAR3 reactor (scale-up ratio of \~{}20). The initial concentration, inlet temperature, average heat capacity of the reaction mixture, mixing, residence time (distribution) and available heat transfer area per unit volume of the reactor were found to be the key parameters for scaling-up of the diazotization reaction. The presented approach and results will be useful to practicing chemists and engineers for enhancing the selectivity of diazotization reactions in continuous reactors.

}, doi = {10.1039/C5RE00056D}, author = {Shukla, C. A. and Kulkarni, Amol A. and Ranade, Vivek V.} } @article {42665, title = {Self- assembly of isomannide-based monoesters of C18-fatty acids and their cellular uptake studies}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {JUL}, pages = { 72074-72079}, type = {Article}, abstract = {

The self-assembling behavior of oleic, elaidic and stearic acid-isomannide glycolipids is revealed. Amongst these, oleic and elaidic acid-based isomannide lipids self-assembled to form microspheres which were efficiently taken up by cancer cell lines enabling their usage for drug delivery applications.

}, issn = {2046-2069}, doi = {10.1039/C6RA05608C}, author = {Dhasaiyan, Prabhu and Parekh, Nimisha and Reddy, T. Vijai Kumar and Rani, G. Sandhya and Devi, B. L. A. Prabhavathi and Bhagavatula L. V. Prasad} } @article {42554, title = {Sequence characterization and in silico structure prediction of fatty acid desaturases in linseed varieties with differential fatty acid composition}, journal = {Journal of the Science of Food and Agriculture}, volume = {96}, year = {2016}, month = {DEC}, pages = {4896-4906}, abstract = {

BACKGROUND: Linseed is the richest agricultural source of alpha-linolenic acid (ALA), an omega-3 fatty acid (FA) that offers several nutritional benefits. In the present study, sequence characterization of six desaturase genes (SAD1, SAD2, FAD2, FAD2-2, FAD3A and FAD3B) and 3D structure prediction of their proteins from ten Indian linseed varieties differing in ALA content were performed to determine whether the nucleotide and amino acid (AA) sequence variants have any functional implications in differential accumulation of ALA or other FAs in linseed. RESULTS: The SAD and FAD2 genes exhibited few sequence variations among the ten varieties, forming only one or two protein isoforms. In contrast, the FAD3A and FAD3B genes showed more sequence variations and three or four protein isoforms. Interestingly, the two high-ALA varieties NL260 and Padmini had the same FAD3B nucleotide and protein isoforms, which differed from all other varieties. Surprisingly, no AA changes altered the 3D structures of the desaturase proteins. CONCLUSION: Several nucleotide and AA sequence variations in desaturase genes were observed; however, they did not alter the 3D structure of any desaturase protein and were not correlated with FA levels among the ten linseed varieties, which had different ALA contents. This suggests a complex regulatory process of biosynthesis of FAs in linseed. (C) 2016 Society of Chemical Industry

}, doi = {10.1002/jsfa.7775}, author = {Rajwade, Ashwini V. and Joshi, Rakesh S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {43421, title = {Shear stress increases cytotoxicity and reduces transfection efficiency of liposomal gene delivery to CHO-S cells}, journal = {Cytotechnology}, volume = {68}, year = {2016}, month = {DEC}, pages = {2529-2538}, abstract = {Animal cells in suspension experience shear stress in different situations such as in vivo due to hemodynamics, or in vitro due to agitation in large-scale bioreactors. Shear stress is known to affect cell physiology, including binding and uptake of extracellular cargo. In adherent cells the effects of exposure to shear stress on particle binding kinetics and uptake have been studied. There are however no reports on the effect of shear stress on extracellular cargo delivery to suspension cells. In this study, we have evaluated the effect of shear stress on transfection of CHO-S cells using Lipofectamine 2000 in a simple flow apparatus. Our results show decreased cell growth and transfection efficiency upon lipoplex assisted transfection of CHO-S while being subjected to shear stress. This effect is not seen to the same extent when cells are exposed to shear stress in absence of the lipoplex complex and subsequently transfected, or if the lipoplex is subjected to shear stress and subsequently used to transfect the cells. It is also not seen to the same extent when cells are exposed to shear stress in presence of liposome alone, suggesting that the observed effect is dependent on interaction of the lipoplex with cells in the presence of shear stress. These results suggest that studies involving liposomal DNA delivery in presence of shear stress such as large scale transient protein expression should account for the effect of shear during lipoplex assisted DNA delivery.}, doi = {10.1007/s10616-016-9974-1}, author = {Rawat, Jyoti and Gadgil, Mugdha} } @inbook {43049, title = {Silanetriols and aluminosilicates}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {221-231}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {17}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {45642, title = {Silk fibroin-sophorolipid gelation: deciphering the underlying mechanism}, journal = {Biomacromolecules}, volume = {17}, year = {2016}, month = {OCT}, pages = {3318-3327}, type = {Article}, abstract = {

Silk fibroin (SF) protein, produced by silkworm Bombyx mori, is a promising biomaterial, while sophorolipid (SL) is an amphiphilic functional biosurfactant synthesized by nonpathogenic yeast Candida bombicola. SL is a mixture of two forms, acidic (ASL) and lactonic (LSL), which when added to SF results in accelerated gelation of silk fibroin. LSL is known to have multiple biological functionalities and hence hydrogels of these green molecules have promising applications in the biomedical sector. In this work, SANS, NMR, and rheology are employed to examine the assembling properties of individual and mixed SLs and their interactions with SF to understand the mechanism that leads to rapid gelation. SANS and NMR studies show that ASL assembles to form charged micelles, while LSL forms micellar assemblies and aggregates of a mass fractal nature. ASL and LSL together form larger mixed micelles, all of which interact differently with SF. It is shown that preferential binding of LSL to SF causes rapid unfolding of the SF chain leading to the formation of intermolecular beta sheets, which trigger fast gelation. Based on the observations, a mechanism for gelation of SF in the presence of different sophorolipids is proposed.

}, issn = {1525-7797}, doi = {10.1021/acs.biomac.6b01069}, author = {Dubey, Parul and Kumar, Sugam and Aswal, Vinod K. and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Prabhune, Asmita and Nisal, Anuya} } @article { 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 {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:000369515700086, title = {Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {JAN}, pages = {8416-8430}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {2046-2069}, doi = {10.1039/c5ra22683j}, author = {Bakthavatsalam, Rangarajan and Ghosh, Subrata and Biswas, Ratul Kumar and Saxena, Aayushi and Raja, Alagar and Thotiyl, Musthafa Ottakam and Wadhai, Sandip and Banpurkar, Arun G. and Kundu, Janardan} } @article {42897, title = {Solution-phase synthesis of the macrocyclic core of teixobactin}, journal = {European Journal of Organic Chemistry}, volume = {25}, year = {2016}, month = {SEP}, pages = {4289-4293}, abstract = {

Towards the total chemical synthesis of the exceptionally potent antibiotic teixobactin, we synthesized the macrocyclic core of a natural product by using a solution-phase approach. The gramscale synthesis of L-allo-enduracididine and Shiina macrolactonization are highlights of the present disclosure.

}, author = {Dhara, Santu and Gunjal, Vidya B. and Handore, Kishor L. and Reddy, D. Srinivasa} } @article { ISI:000370135100007, title = {Streptomyces lonarensis sp nov., isolated from lonar lake, a meteorite salt water lake in India}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {109}, number = {2}, year = {2016}, month = {FEB}, pages = {225-235}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel alkaliphilic actinomycete, strain NCL716(T), was isolated from a soil sample collected from the vicinity of Lonar Lake, an alkaline salt water meteorite lake in Buldhana district of Maharashtra State in India. The strain was characterised using a polyphasic taxonomic approach which confirmed that it belongs to the genus Streptomyces. Growth was observed over a pH range of 7-11 at 28 A degrees C. The cell wall was found to contain ll-diaminopimelic acid and traces of meso-diaminopimelic acid. The major fatty acid components were identified as iso-C-16:0 (46.8 \%), C-17:1 (12.4 \%), anteiso-C-15:0 (5.1 \%) and anteiso-C-17:1 (4.8 \%). The major polar lipids were identified as diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and phosphatidylinositol. The major menaquinones were determined to be MK-9 (H-6) (70.3 \%), MK-9 (H-4) (15.5 \%) and MK-9 (H-8) (7.2 \%). The G+C content of the DNA of the type strain was determined to be 71.4 mol \%. The 16S rRNA gene sequence has been deposited in GenBank with accession number FJ919811. Although the 16S rRNA gene sequence analysis revealed that strain NCL716(T) shares \> 99 \% similarity with that of Streptomyces bohaiensis strain 11A07(T), DNA-DNA hybridization revealed only 33.2 +/- A 3.0 \% relatedness between them. Moreover, these two strains can be readily distinguished by some distinct phenotypic characteristics. Hence, on the basis of phenotypic and genetic analyses, it is proposed that strain NCL716(T) represents a novel species of the genus Streptomyces, for which the name Streptomyces lonarensis sp. nov., is proposed. The type strain is NCL 716(T) (=DSM 42084(T) = MTCC 11708(T) = KCTC 39684(T)).

}, keywords = {Alkaliphile, DDH analysis, Polyphasic taxonomy, Streptomyces lonarensis sp nov.}, issn = {0003-6072}, doi = {10.1007/s10482-015-0626-9}, author = {Sharma, Trupti K. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Shinde, Vidhya K. and Zhan, Jing and Li, Wen-Jun and Rele, Meenakshi V. and Dastager, Syed Gulam and Kumar, Lalitha Sunil} } @article { ISI:000368973000001, title = {Structural analysis of a penicillin V acylase from pectobacterium atrosepticum confirms the importance of two Trp residues for activity and specificity}, journal = {Journal of Structural Biology}, volume = {193}, number = {2}, year = {2016}, month = {FEB}, pages = {85-94}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Penicillin V acylases (PVA) catalyze the deacylation of the beta-lactam antibiotic phenoxymethylpenicillin (Pen V). They are members of the Ntn hydrolase family and possess an N-terminal cysteine as the main catalytic nucleophile residue. They form the evolutionarily related cholylglycine hydrolase (CGH) group which includes bile salt hydrolases (BSH) responsible for bile deconjugation. Even though a few PVA and BSH structures have been reported, no structure of a functional PVA from Gram-negative bacteria is available. Here, we report the crystal structure of a highly active PVA from Gram-negative Pectobacterium atrosepticum (PaPVA) at 2.5 angstrom resolution. Structural comparison with PVAs from Gram-positive bacteria revealed that PaPVA had a distinctive tetrameric structure and active site organization. In addition, mutagenesis of key active site residues and biochemical characterization of the resultant variants elucidated the role of these residues in substrate binding and catalysis. The importance of residue Trp23 and Trp87 side chains in binding and correct positioning of Pen V by PVAs was confirmed using mutagenesis and substrate docking with a 15 ns molecular dynamics simulation. These results establish the unique nature of Gram-negative CGHs and necessitate further research about their substrate spectrum. (C) 2015 Elsevier Inc. All rights reserved.

}, keywords = {Aromatic stacking, Cholylglycine hydrolase, molecular dynamics, Mutagenesis, Oligomeric interactions}, issn = {1047-8477}, doi = {10.1016/j.jsb.2015.12.008}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Chand, Deepak and Pundle, Archana and Suresh, Cheravakattu Gopalan and Ramasamy, Sureshkumar} } @article { ISI:000369515700061, title = {Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {DEC}, pages = {8211-8221}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Poly[2,2{\textquoteright}-(p-phenylene)-5,5{\textquoteright}-bibenzimidazole (PBI) and poly(2,5-benzimidazole) (ABPBI) doped with phosphoric acid (PA) are considered as potential polymer electrolyte membranes for high temperature fuel cells. Conformational and structural properties of polymer chains in the presence of PA govern the function of the membrane. Therefore, in this work, a single chain conformational analysis of ABPBI and PBI in melt as well as in PA was performed using classical molecular dynamics simulations. End-to-end distance and the radius of gyration reveal significant changes in the conformations of PBI and ABPBI in PA. The structural changes are analyzed locally segment-wise as well as globally in these polymers. The shape and nature of the curvature along the chain is found to be significantly different for ABPBI and PBI. The role of the solvent (PA) on the chain backbone structure is explored for PA doped ABPBI and PBI chains. The PA arrangement along the backbone confirms that benzimidazole density in the case of both of the polymers determines the PA absorbing capacity. The H-bonding interactions between various atoms of the polymer backbone and the atoms of the PA molecules are evaluated along the polymer chain which relates to the arrangement of PA along the backbone. The reasons for the varying number of H-bonds along ABPBI and PBI which in turn has a significant effect on the stiffness of the chains are investigated.

}, issn = {2046-2069}, doi = {10.1039/c5ra22159e}, author = {Pahari, Swagata and Roy, Sudip} } @article { ISI:000375723900014, title = {Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study}, journal = {Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry \& Chemical Physics}, volume = {230}, number = {5-7, SI}, year = {2016}, month = {MAY}, pages = {819-836}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

Sophorolipids contain hydrophilic head groups at the ends of a long hydrophobic tail. As a result, sophorolipids can self assemble into variety of structures in water. Atomistic self assembly simulations of sophorolipids are performed in water. Two sophorolipids, oleic acid sophorolipid and linolenic acid sophorolipid, differing in number of double bonds in the hydrophobic tail are considered for this study. Long time self assembly simulations are performed considering 1 :3 lipid to water ratio by weight for both oleic and linolenic acid sophorolipids. In addition to 1 : 3 ratio, long time self assembly simulations are also performed with 1 : 1 and 1 : 2 ratios for linolenic acid sophorolipids. Distinctions in structural arrangements of sophorolipid molecules in the self assembled configuration for all the systems are investigated. The present study aims to provide structural insight into the different self assembled configurations of sophorolipids in water.

}, keywords = {MD Simulation, self assembly, sophorolipids, United Atom Force Field}, issn = {0942-9352}, doi = {10.1515/zpch-2015-0719}, author = {Pandey, Prithvi Raj and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Roy, Sudip} } @article {45643, title = {Structural-functional insights and studies on saccharide binding of Sophora japonica seed lectin}, journal = {International Journal of Biological Macromolecules}, volume = {91}, year = {2016}, month = {OCT}, pages = {75-84}, type = {Article}, abstract = {

Functional and conformational transitions of the Sophora japonica seed lectin (SJL) were studied in detail using bioinformatics and biophysical tools. Homology model of the lectin displayed all the characteristics of the legume lectin monomer and the experimental observations correlated well with the structural information. In silico studies were performed by protein-ligand docking, calculating the respective binding energies and the residues involved in the interactions were derived from LigPlot(+) analysis. Fluorescence titrations showed three times higher affinity of T-antigen disaccharide than N-acetyl galactosamine (GaINAc) towards SJL indicating extended sugar binding site of the lectin. Thermodynamic parameters of T-antigen binding to SJL indicated the process to be endothermic and entropically driven while those of GaINAc showed biphasic process. SDS-PAGE showed post-translationally modified homotetrameric species of the lectin under native conditions. In presence of guanidine hydrochloride (0.5-5.0 M), the tetramer first dissociated into dimers followed by unfolding of the protein as indicated by size exclusion chromatography, fluorescence and CD spectroscopy. Different structural rearrangements were observed during thermal denaturation of SJL at physiological pH 7.2, native pH 8.5 and molten globule inducing pH 1.0. Topological information revealed by solute quenching studies at respective pH indicated differential hydrophobic environment and charge density around tryptophan residues. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Dissociation, docking, Homology model, Ligand binding, Sophora japonica seed lectin, Thermal transitions}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.05.047}, author = {Yadav, Priya and Shahane, Ganesh and Ramasamy, Sureshkumar and Sengupta, Durba and Gaikwad, Sushama} } @article { ISI:000380167200011, title = {Studies on the static and dynamic properties of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {107}, number = {9}, year = {2016}, month = {OCT}, pages = {1175-1184}, publisher = {TAYLOR \& FRANCIS LTD}, address = {2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND}, abstract = {

Four major types of polyester industrial yarns, viz. high tenacity (HT), high modulus low shrinkage (HMLS), low shrinkage (LS) and super low shrinkage (SLS) polyester yarns, were studied for their static and dynamic properties. An attempt has been made to establish a linkage between static and dynamic properties of these yarns with its structure and with its end applications. HMLS and HT polyester yarns have lower tan delta and work loss, which are the desired characteristics required for its end applications which include tire and conveyer belt. Higher overall orientation and higher fraction of tie molecules helped to achieve these properties in HT and HMLS polyester yarns. LS and SLS polyester yarns are mostly used for static applications. Low thermal shrinkage is the key requirement for the downstream processes of these yarns. Lower amorphous orientation in these two yarns is primarily responsible for achieving very low thermal shrinkage. A good co-relation has been established between the peak temperature of work loss (in slow speed hysteresis test) and the peak temperature of tan delta (in high-speed dynamic test).

}, keywords = {creep, modulus, polyester, shrinkage, tan delta, work loss}, issn = {0040-5000}, doi = {10.1080/00405000.2015.1097087}, author = {Samui, Barun Kumar and Dasgupta, Saikat and Mukhopadhyay, R. and Ramesh, C. and Chakrabarty, Debabrata} } @article {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 {42896, title = {Synthesis and biological evaluation of palmyrolide a macrocycles as sodium channel blockers towards neuroprotection}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {AUG}, pages = {8457-8473}, abstract = {

Palmyrolide A is a neuroprotective macrolide isolated by Gerwick and coworkers in 2010. This natural product is known to suppress neuronal spontaneous calcium ion oscillations through its voltage-gated sodium channel blocking ability which is of significant interest in CNS drug discovery. Herein, we give a detailed account on total synthesis of (+)-palmyrolide A and synthesis of a focused library of macrocycles around the scaffold, followed by their biological evaluation. Use of the chiral pool approach, Zhu{\textquoteright}s oxidative homologation, access to unnatural cis-palmyrolide A, preparation of 18 new analogues and identification of macrolides with improved sodium channel blocking activity are the important features of the present paper. As a measure of potency as voltage-gated sodium channel blockers, all the synthesized analogues were profiled for their ability to inhibit the veratridine-stimulated Na+ influx in murine primary neuronal cultures. Four macrocycles were found to be more potent or comparable to that of the natural product (-)-palmyrolide A. The most potent compound from this series 20 was structurally simplified and readily accessible in good quantities for further biological profiling.

}, author = {Philkhana, Satish Chandra and Mehrotra, Suneet and Murray, Thomas F. and Reddy, D. Srinivasa} } @article {45646, title = {Synthesis and characterization of FeTiO3 ceramics}, journal = {Arabian Journal of Chemistry}, volume = {9}, year = {2016}, month = {SEP}, pages = {S429-S432}, type = {Article}, abstract = {

Nanocrystalline FeTiO3 ceramics powders were prepared by the sol-gel process combined with a surfactant-assisted template method. The resulting powders were calcined at different temperatures ranging from 150 degrees C to 600 degrees C for 2 h in an air. The results revealed that a pure hexagonal phase of FeTiO3 could be obtained at low temperature, 600 degrees C. The phase evolution of FeTiO3 was investigated by X-ray diffraction patterns (XRD), Fourier-transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS). Particle size and morphology was studied by transmission electron microscopy (TEM). (C) 2011 Production and hosting by Elsevier B.V. on behalf of King Saud University.

}, keywords = {Electron microscopy, hexagonal phase, Nanoparticles, sol-gel process, Ti-O bond}, issn = {1878-5352}, doi = {10.1016/j.arabjc.2011.05.012}, author = {Gambhire, Anil B. and Lande, Machhindra K. and Rathod, Sandip B. and Arbad, Balasaheb R. and Vidhate, Kaluram N. and Gholap, Ramakrishna S. and Patil, Kashinath R.} } @article { ISI:000374104500001, title = {Synthesis and characterization of superhydrophobic-superoleophilic surface}, journal = {Journal of Sol-Gel Science and Technology}, volume = {78}, number = {3}, year = {2016}, month = {JUN}, pages = {475-481}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

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

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

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

}, keywords = {phenothiazine-containing diamine, Polyimide, thermally stable polymer}, issn = {0954-0083}, doi = {10.1177/0954008314568877}, author = {Ghorpade, Ravindra V. and Thorave, Asmita K. and Rajan, C. R. and Chavan, Nayaku and Ponrathnam, S.} } @article {43167, title = {Synthesis of functionalized 6-hydroxy-2-oxindole derivatives by phenoxide cyclization}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {DEC}, pages = {6264-6267}, abstract = {An apparent intramolecular cross-dehydrogenative coupling of N-(3-hydrox)monoanilide of maleic esters comprising base promoted phenoxide cyclization and subsequent base-mediated aerobic oxidation was developed to synthesize a variety of 2-(6-hydroxy-2-oxoindolin-3-ylidene)-acetate derivatives. The isolation of intermediate cyclized products during the large scale reactions and their ready dehydrogenation with 1 equiv of base support this proposed two-step path.}, author = {Reddy, B. Narendraprasad and Ramana, Chepuri V.} } @article { ISI:000379431000015, title = {Synthesis of functionalized amino epoxides by a three-component coupling involving aziridines, arynes and aldehydes}, journal = {Chemical Communications}, volume = {52}, number = {58}, year = {2016}, month = {JAN}, pages = {9044-9047}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

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

}, issn = {1359-7345}, doi = {10.1039/c6cc00057f}, author = {Roy, Tony and Thangaraj, Manikandan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {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:000380018700009, title = {Synthesis of renewable copolyacetals with tunable degradation}, journal = {Macromolecular Chemistry and Physics}, volume = {217}, number = {12}, year = {2016}, month = {JUN}, pages = {1396-1410}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Acetal metathesis copolymerization (AMCP) of renewable isohexide diacetals and aliphatic long-chain diacetals is reported and access to a small family of copolyacetals has been established. Crucial 1-2D NMR and MALDI-ToF-MS findings unambiguously confirm the existence of a copolymeric structure. In a stark contrast to the earlier reported isohexide-polyacetals, the current copolyacetals reveal very slow degradation. Hydrolytic degradation of copolyacetal pellets is extremely slow at pH 7, whereas only 30\% degradation over a period of 15 d is observed in 9 M hydrochloric acid solution. GPC investigations reveal that with increasing chain-length the rate of degradation reduces, whereas copolyacetals with short-chain aliphatic segments display a faster degradation profile. The reduced rate of degradation can be attributed to the hydrophobic nature of long-chain acetal segments. In situ NMR spectroscopy reveals the existence of formates, hemiacetals, and diols as degradation products. Thus, the rate of degradation can be tuned by the judicious choice of isohexide-diacetal and linear-diacetals in a copolyacetal.

}, keywords = {copolyacetals, degradable polymers, diacetals, isohexides, renewable polymers}, issn = {1022-1352}, doi = {10.1002/macp.201600071}, author = {Rajput, Bhausaheb S. and Chander, Umesh and Arole, Kailash and Stempfle, Florian and Menon, Shamal K. and Mecking, Stefan and Chikkali, Samir H.} } @article { ISI:000377612300008, title = {Synthesis of revised structure of klaivanolide (acetylmelodorinol)}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {OCT}, pages = {116-122}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Klaivanolide (acetylmelodorinol) is an anti-leishmanial/anti-trypanosomal agent isolated from Uvaria klaineana and the structure was originally assigned as a 7-membered lactone with extended conjugation and S-configuration at the lactone junction. Very recently, the structure of klaivanolide was revised as previously known compound acetylmelodorinol. Now, we have synthesized the revised structure in racemic form using a short route.

}, keywords = {acetylmelodorinol, Klaivanolide, leishmaniasis, Natural product}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.231}, author = {Raut, Gajanan N. and Wagh, Sachin B. and Reddy, D. Srinivasa} } @inbook {43050, title = {Synthesis of silicon(II) compounds and their reactions}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {233-242}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {18}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {42997, title = {Template determines whether chemically identical nanoparticle scaffolds show elastic recovery or plastic failure}, journal = {Langmuir}, volume = {32}, year = {2016}, month = {NOV}, pages = {11623-11630}, abstract = {

Subtle variations in the preparation of ice-templated nanoparticle assemblies yield monoliths that are chemically identical but exhibit qualitatively different mechanical behavior. We ice template aqueous dispersions to prepare macroporous monoliths largely comprising silica nanoparticles held together by a crosslinked polymer mesh. When the polymer is crosslinked in the presence of ice crystals, we obtain an elastic sponge that is capable of recovery after imposition of large compressive strains (up to 80\%). If, however, the ice is lyophilized before the polymer is crosslinked, we obtain a plastic monolith that fails even for modest strains (less than 10\%). The elastic sponge and the plastic monolith are chemically identical; they have the same organic content, the same ratio of polymer to crosslinker, and the same average crosslink density. Atomic force microscopy (AFM) was used to probe the local mechanical properties of the crosslinked polymer mesh. These measurements indicate that plastic monoliths dissipate significantly more energy and have a larger spatial variation in local mechanical response relative to the elastic sponges. We believe that this behavior might correlate with a wider spatial distribution of crosslinks in plastic scaffolds relative to elastic scaffolds.

}, doi = {10.1021/acs.langmuir.6b03173}, author = {Suresh, Karthika and Patil, Shivprasad and Rajamohanan, Pattuparambil Ramanpillai and Kumaraswamy, Guruswamy} } @article {42858, title = {Three way catalytic converter reactions aspects at near ambient temperatures on modified pd-surfaces}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1363-1369}, abstract = {

The dissolution of oxygen in palladium plays an important role in palladium catalysis. The present study shows that the surface modification (SM) due to the dissolution of atomic oxygen into the subsurfaces of palladium can be used as a control to tune its catalytic activity. CO oxidation and NO + H-2 + O-2 reaction was separately carried out on metallic Pd and on surface modified Pd using a molecular beam instrument and the results were compared. The metallic Pd does not show activity below 400 K for both reactions, whereas the SM-Pd shows activity at near-ambient temperatures. The electronic change due to SM was investigated using ambient pressure photoelectron spectroscopy, and the investigation clearly shows the effect of subsurface oxygen in the ambient temperature activity of palladium. (C) 2016 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.crci.2015.11.019}, author = {Roy, Kanak and Jain, Ruchi and Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @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:000372915400016, title = {Total synthesis and structural assignment of hexaketide xylarinolb and its C1-epimer}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {3}, year = {2016}, month = {MAR}, pages = {417-422}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The total synthesis of two isomeric hexaketides isolated along with sordarial, which have the proposed relative arabino and ribo configurations, has been executed. A Rh-catalyzed [2+2+2]-alkyne cyclotrimerization has been employed as the key reaction to construct the central dihydroisobenzofuran core. The absolute configuration of the xylarinolB hexaketide has been established as l-arabino. This is the first natural product of this family for which the absolute configuration has been determined, and this can be extended to provide structural details of several of related hexaketides.

}, keywords = {hexaketides, sordarial, Wilkinson{\textquoteright}s catalyst, xylarinolB, {[2+2+2]-cyclotrimerization}, issn = {2193-5807}, doi = {10.1002/ajoc.201500511}, author = {Mullapudi, Venkanna Babu and Ramana, Chepuri V.} } @article { ISI:000372664600061, title = {Total synthesis of integrastatin B enabled by a benzofuran oxidative dearomatization cascade}, journal = {Organic Letters}, volume = {18}, number = {6}, year = {2016}, month = {MAR}, pages = {1458-1461}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of integrastatin B, a potent HIV-1 integrase inhibitor, has been accomplished in seven steps with a 17.9\% overall yield employing easily accessible starting compounds. The Oxone-mediated oxidative benzofuran dearomatization cascade has been employed as the key skeletal construct to forge the central tetracyclic nucleus.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00404}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000382768400020, title = {Total synthesis of (-)-nardoaristolone B}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2016}, month = {AUG}, pages = {3804-3808}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A stereoselective total synthesis of (-)-Nardoaristolone B, a nor-aristolane sesquiterpenoid natural product with an unusual 3/5/6 tricyclic ring system is described. The highlights of the present work includes use of (+)-(R)-Pulegone as a chiral-pool starting material, ring-closing metathesis, allylic oxidation and stereoselective cyclopropanation. In addition, a new analogue of Nardoaristolone B (minor product from the final step) was isolated in pure form and fully characterized with the help of single-crystal X-ray analysis.

}, keywords = {Chiral pool, cyclopropanation, Nardoaristolone B, Natural products, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201600538}, author = {Ople, Rohini S. and Handore, Kishor L. and Kamat, Nidhi S. and Reddy, D. Srinivasa} } @article { ISI:000379455300035, title = {Total synthesis of the marine natural product solomonamide B necessitates stereochemical revision}, journal = {Organic Letters}, volume = {18}, number = {13}, year = {2016}, month = {JUL}, pages = {3178-3181}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of the proposed structure of solomonamide B has been achieved. However, the H-1 and C-13 NMR spectral data of the synthesized compound was not exactly matching with that of the natural solomonamide B. This prompted us to revise the originally proposed structure, in particular, the stereochemistry of the nonpeptide part, which was confirmed by its total synthesis. During the course of the synthesis, we have developed an interesting hydroxy group directed Wacker oxidation of internal olefins in a macrocyclic setting.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01395}, author = {Kashinath, K. and Jachak, Gorakhnath R. and Athawale, Paresh R. and Marelli, Udaya Kiran and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI: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 { ISI:000369212900018, title = {Tuning emission responses of a triphenylamine derivative in host-guest complexes and an unusual dynamic inclusion phenomenon}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {2}, year = {2016}, month = {JAN}, pages = {512-521}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A newly synthesized triphenylamine derivative (1Cl(3)) shows significant differences in inclusion complex formation with two different macrocyclic hosts, cucurbit[7]uril (CB[7]) and beta-cyclodextrin (beta-CD). Detailed investigations by NMR spectroscopy reveal that CB[7] forms a 1:3 host-guest complex ([1 center dot 3{CB[7]}]Cl-3) in which three arms of 1Cl(3) are bound to three host molecules. On the other hand, beta-CD forms a dynamic 1:1 inclusion complex ([1 center dot{beta-CD}]Cl-3) by binding to only one of the three arms of 1Cl(3) at a given time. The formation of a 1:1 host-guest complex with beta-CD and 1:3 host-guest complex with CB[7] was also confirmed from the results of the isothermal titration calorimetric studies. Interestingly, 1Cl(3) exhibits a rare dual emission property in solution at room temperature with the lower and higher energy bands arising from a locally excited state and an intramolecular charge-transfer transition, respectively. The difference in inclusion complex formation behavior of 1Cl(3) with the two macrocyclic hosts results in the stabilization of different emission states in the two inclusion complexes. The fundamental difference in the electrostatic surface potentials, cavity polarities, and shapes of the two macrocyclic hosts could account for the formation of the different inclusion complexes with distinct luminescence responses.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02353}, author = {Gangopadhyay, Monalisa and Mandal, Amal K. and Maity, Arunava and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article { ISI:000374185000009, title = {Two-phase flow boiling in 19mm tube: experiments and CFD modelling}, journal = {Canadian Journal of Chemical Engineering}, volume = {94}, number = {5}, year = {2016}, month = {MAY}, pages = {872-885}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Boiling flows are encountered in a wide range of industrial applications such as boilers, nuclear reactors, electronic cooling, and various types of chemical reactors. Heat transfer coefficients, flow boiling regimes, flow instabilities, pressure drops, and conditions like dry-out are some of the key issues in every boiling flow study. It is observed that a limited experimental database is available for the 19mm ID channel diameter, i.e. a typical tube diameter of steam generator. Therefore, in the present work, the experimental setup was designed for studying boiling flows in a 19mm ID tube in such a way that different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) could be investigated by varying inlet conditions. The reported results cover a reasonable range: 8-27kW/m(2) and 2.9-5.9kg/m(2)s heat and mass flux conditions, respectively. A basic computational flow model was also developed to facilitate interpretation of the obtained data. The presented design of the experimental setup and the approach of mimicking different types of steam generator tubes as well as presented experimental and simulated results are useful for gaining insight into complex boiling flows in tubes, and provide a sound basis for further work in this area.

}, keywords = {CFD, Flow regimes, two-phase flow boiling, vapour quality}, issn = {0008-4034}, doi = {10.1002/cjce.22455}, author = {Sardeshpande, Madhavi V. and Raymond, Barlev and Ranade, Vivek V.} } @article {43581, title = {Two-phase flow boiling pressure drop in small channels}, journal = {International Journal of Heat and Fluid Flow}, volume = {61}, year = {2016}, month = {OCT}, pages = {636-649}, abstract = {Two-phase flow boiling in small channels finds a variety of applications in power and process industries. Heat transfer, boiling flow regimes, flow instabilities, pressure drop and dry out are some of the key issues related to two-phase flow boiling in channels. In this work, the focus is on pressure drop in two-phase flow boiling in tubes of 19 mm diameter. These tubes are typically used in steam generators. Relatively limited experimental database is available on 19 mm ID tube. Therefore, in the present work, the experimental set-up is designed for studying flow boiling in 19 mm ID tube in such a way that any of the different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) can be investigated by varying inlet conditions. The reported results cover a reasonable range of heat and mass flux conditions such as 9-27 kW/m(2) and 2.9-5.9 kg/m(2) s respectively. In this paper, various existing correlations are assessed against experimental data for the pressure drop in a single, vertical channel during flow boiling of water at near-atmospheric pressure. A special feature of these experiments is that time-dependent pressures are measured at four locations along the channel. The steady-state pressure drop is estimated and the identification of boiling flow regimes is done with transient characteristics using time series analysis. Experimental data and corresponding results are compared with the reported correlations. The results will be useful for understanding key aspects of flow boiling in small channels. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.ijheatfluidflow.2016.07.008}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.} } @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 { ISI:000371102800019, title = {Validation of force fields of rubber through glass-transition temperature calculation by microsecond atomic-scale molecular dynamics simulation}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {7}, year = {2016}, month = {FEB}, pages = {1367-1379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Microsecond atomic-scale molecular dynamics simulation has been employed to calculate the glass-transition temperature (T-g) of cis- and trans-1,4-polybutadiene (PB) and 1,4-polyisoprene (PI). Both all-atomistic and united-atom models have been simulated using force fields, already available in literature. The accuracy of these decade old force fields has been tested by comparing calculated glass-transition temperatures to the corresponding experimental values. T-g depicts the phase transition in elastomers and substantially affects various physical properties of polymers, and hence the reproducibility of T-g becomes very crucial from a thermodynamic point of view. Such validation using T-g also evaluates the ability of these force fields to be used for advanced materials like rubber nanocomposites, where T-g is greatly affected by the presence of fillers. We have calculated T-g for a total of eight systems, featuring all-atom and united-atom models of cis- and trans-PI and-PB, which are the major constituents of natural and synthetic rubber. Tuning and refinement of the force fields has also been done using quantum-chemical calculations to obtain desirable density and T-g. Thus, a set of properly validated force fields, capable of reproducing various macroscopic properties of rubber, has been provided. A novel polymer equilibration protocol, involving potential energy convergence as the equilibration criterion, has been proposed. We demonstrate that not only macroscopic polymer properties like density, thermal expansion coefficient, and T-g but also local structural characteristics like end-to-end distance (R) and radius of gyration (R-g) and mechanical properties like bulk modulus have also been equilibrated using our strategy. Complete decay of end-to-end vector autocorrelation function with time also supports proper equilibration using our strategy.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b10789}, author = {Sharma, Pragati and Roy, Sudip and Karimi-Varzaneh, Hossein Ali} } @article {43801, title = {4-Phenyl quinoline derivatives as potential serotonin receptor ligands with antiproliferative activity}, journal = {European Journal of Medicinal Chemistry}, volume = {136}, year = {2017}, month = {AUG}, pages = {246-258}, type = {Article}, abstract = {Antagonists of signaling receptors are often effective non-toxic therapeutic agents. Over the years, there have been evidences describing the role of serotonin or 5-hydroxytryptamine (5-HT) in development of cancer. Although there are reports on the antiproliferative effects of some serotonin receptor antagonists, there are very few investigations related to understanding their structure-activity relationships. In this study, we report the screening of a library of 4-phenyl quinoline derivatives for their antiproliferative activities. Preliminary docking studies indicated that these ligands had the ability to bind to two of the serotonin. receptors, 5-HT1B and 5-HT2B. The results of the in silico experiments were validated by performing in vitro studies on MCF-7 breast cancer cell line. The ethylpiperazine derivatives showed maximum toxicity against this cancer cell line. The compounds inhibited Calcium ion efflux (induced by serotonin) and ERK activation. One of the most active 4-phenyl quinoline derivatives (H3a) also induced apoptosis, thereby, suggesting the use of this scaffold as a potential anticancer drug. (C) 2017 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2017.05.002}, author = {Joshi, Pranaya V. and Sayed, Alim A. and RaviKumar, Ameeta and Puranik, Vedavati G. and Zinjarde, Smita S.} } @article {43833, title = {Access to fused tricyclic gamma-butyrolactones, a natural product -like scaffold}, journal = {Journal Of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUL}, pages = {7614-7620}, type = {Article}, abstract = {Serendipitous findings of an acid mediated skeletal rearrangement of bicydo-beta-ketoester having cyclopropyl ring to access fused tricyclic gamma-butyrolactones has been described. This novel transformation has been optimized to 30 mol\% p-toluenesulfonic acid (p-TSA) in toluene using Dean Stark apparatus, where the aldol condensation, cyclopropyl ring opening followed by cyclization took place in a single-pot operation. The resulting tricyclic compounds are interesting chemotype with natural product resemblance and may find useful applications in the future.}, doi = {10.1021/acs.joc.7b00794}, author = {Kalmode, Hanuman P. and Handore, Kishor L. and Reddy, D. Srinivasa} } @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 {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 {43979, title = {Allostreptomyces indica sp. nov., isolated from India}, journal = {Journal of Antibiotics}, volume = {70}, year = {2017}, month = {OCT}, pages = {1000-1003}, type = {Journal Article}, abstract = {A novel actinobacterium, designated strain YIM 75704T, was isolated from a limestone quarry located at Gulbarga, Karnataka, India. The novel strain has showed typical morphological and chemotaxonomic characteristics of the family Streptomycetaceae. Comparison of 16S rRNA gene sequences indicated that this strain represents a novel member of the family Streptomycetaceae and exhibited 99.0\% 16S rRNA gene sequence similarities with the type species of the recently described novel genus Allostreptomyces, that is, Allostreptomyces psammosilenae, whereas other species of Streptomyces were below 95\% sequence similarity. The cell hydrolysates contained the LL-isomer of diaminopimelic acid and the predominant quinones were MK-9 (H 6, H 8 and H 4). The polar lipid profile consisted of diphosphatidylglycerol, phosphatidylinositolmannosides and three unknown phospholipids. The DNA G+C content was 75.0 mol\%. A polyphasic study of the strain with morphological, phenotypic, phylogenetic and with DNA-DNA hybridization evidence with related members showed that this strain represents novel species of Allostreptomyces for which the name Allostreptomyces indica sp. nov., is proposed. The type strain is YIM 75704 T (= DSM 41985T =CCTCC AA 209051T = NCIM 5485T).}, doi = { 10.1038/ja.2017.82}, author = {Sahu, A.K.}, editor = {Quadri, S.R} } @article {42892, title = {Ambient CO oxidation on in-situ generated Co3O4 spinel surfaces with random morphology}, journal = {ChemistrySelect}, year = {2017}, month = {JAN}, pages = {431{\textendash}432}, abstract = {

The influence of the Co3O4 morphology on its redox behavior and catalytic performance in the CO oxidation reaction is studied. Three different Co3O4 morphologies were synthesized by precipitation and hydrothermal methods. TEM and SEM observations clearly show the different obtained morphologies: rods, wires and a mixture of plates and cubes. The textural properties depend on the morphology and the redox ones on the particle size. XRD analysis reveals a spinel structure in all solids but a preferential exposition of the [110] plane is presented in the Co3O4 rods. This preferential exposition, along with its higher specific surface area provides the rods with more efficient oxygen storage capacity resulting in an excellent catalytic performance compared to the other two morphologies.

}, doi = {10.1002/slct.201602010}, author = {Dubey, Anjani and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {43747, title = {Analysis of electrical and thermal conductivities of polyethersulfone-graphite based hybrid nanocomposites}, journal = {Macromolecular Research}, volume = {25}, year = {2017}, month = {APR}, pages = {311-316}, type = {Article}, abstract = {Polyethersulfone (PES)-7 wt\% graphite- x wt\% filler (carbon black (CB), carbon nanofiber (CNF), expanded graphite (ExGr)) hybrid composites are synthesized by solution blending route. The electrical percolation threshold in hybrid composites varies exponentially with the aspect ratio of the second conducting filler. The aspect ratio of the second conducting filler has been found to vary in the order CB < CNF < ExGr. The percolation threshold is identified at 0.05 wt\%, 0.4 wt\%, 1.3 wt\% for ExGr, CNF and CB added PES-7 wt\% graphite composites. Through plane thermal conductivity of PES-x wt\% graphite-y wt\% CB (x=10, 20, 30, 40, 50, 60, y=0, 3, 7) hybrid composites has been found to increase with the addition of CB. Thermal conductivity has been increased to 0.42 W/m-K when 7 wt\% CB is added to PES-60 wt\% graphite from 0.2 W/m-K. Reduction of interparticular distance with the increased loading of CB facilitates better thermal transport. Aspect ratios of second conducting fillers have been found out from transmission electron microscopy and scanning electron microscopy analysis.}, doi = {10.1007/s13233-017-5045-5}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, Shripad D.} } @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 {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 {43904, title = {Binding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions}, journal = {Journal of molecular Structure}, volume = {1143}, year = {2017}, month = {SEP}, chapter = {495-514}, abstract = {

The vitamin K3 derivatives 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone (M-1), 2-methyl-3-[(pyridin-2-ylethyl)-amino]-1,4-naphthoquinone (M-2), 2-methyl-3-((2-(thiophen-2-yl) methyl)amino)naphthalene-1,4-dione (M-3) and 2-methyl-3-((2-(thiophen-2-yl)ethyl)amino)naphthalene-1,4-dione (M-4) have been synthesized, characterized and studied for their chemosensor abilities towards transition metal ions. Crystal structures of M-1 to M-4 revealed a variety of N-H center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions. Minor variations in such interactions by chemical stimuli such as metal ions, results in change in color that can be visualized by naked eyes. It has been shown that electronic structure and H-1 NMR, vibrational as well as electronic spectra from the density functional theory agree well with the experiments. The metal ion binding in ethanol, ethanol-water and in mild base triethylamine brings forth recognizing ability of M-1 toward Ni2+ whereas M-2 exhibits large sensing ability for Cu2+ ion. Interestingly M-1 display varying metal ion binding specificity in different solvents with the association constant in ethanol being 11,786 M-1 for Ni2+ compared to 9462 M-1 for the Cu2+. A reversal in preferential binding of M-2 with the respective association constants being 4190 M-1 and 6370 M-1 is discernible. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone Molecular-structures, Anthraquinone, Aqueous-solution, Chemosensor, Crystal-structures, Cu(II), Derivatives, DFT, Fluorometric Chemosensors, hydrogen bonding, Naphthoquinone, pi-pi stacking, Recognition, sensors}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.04.094}, author = {Patil, Amit and Lande, Dipali N. and Nalkar, Archana and (Gejji, Shridhar P. and Chakrovorty, Debamitra and Gonnade, Rajesh and Moniz, Tania and Rangel, Maria and Pereira, Eulalia and Salunke-Gawali, Sunita} } @article {43558, title = {Biocompatible superhydrophobic coating material for biomedical applications}, journal = {Journal of Sol-Gel Science and Technology}, volume = {81}, year = {2017}, month = {MAR}, pages = {791-796}, abstract = {Biomaterials and wettability have played a crucial role in the biocompatibility with a host matrix of body fluid and cells. We discuss designing superhydrophobic biomaterials for novel applications such as temporally implant, contact lenses, controlled drug release coatings, coating on medical instruments, etc. Such Superhydrophobic coating surfaces were created with the simple dip coating method by single step base catalyst sol-gel method. Methyltriethoxysilane/trimethoxymethylsilane-based deposition at different dip periods introduces interesting properties in the region, including superhydrophobicity, biocompatibility and transparency. This works reveal the impact of interaction bone marrow mesenchymal stem cells and surface free energy on the biocompatibility of superhydrophobic biomaterial.}, doi = {10.1007/s10971-016-4244-4}, author = {Mahadik, Satish A. and Pedraza, F. and Mahadik, Sarika S. and Relekar, Brahmanand P. and Thorat, Sagar S.} } @article {44093, title = {Camptothecin-producing endophytic bacteria from pyrenacantha volubilis hook. (Icacinaceae): a possible role of a plasmid in the production of camptothecin}, journal = {Phytomedicine}, volume = {36}, year = {2017}, month = {DEC}, pages = {160-167}, type = {Article}, abstract = {Background: Camptothecin (CPT), a quinoline alkaloid, is a potent inhibitor of eukaryotic topoisomerase I. Because of this property, several derivatives of CPT are used as chemotherapeutic agents. CPT is produced by several plant species belonging to the Asterid clade as well as by a number of endophytic fungal associates of these plants. In this study, we report the production of CPT by four bacterial endophytes and show the possible role of a plasmid in the biosynthesis of CPT. Methods: Endophytic bacteria were isolated from leaves, stems and fruits of Pyrenacantha volubilis Hook. (Icacinanceae). The bacterial isolates were purified and analyzed for production of CPT by ESI-MS/MS and NMR analysis. Bacterial identity was established based on the morphology and 16s rRNA sequence analysis. Crude extracts of the bacterial endophytes were evaluated for their cytotoxicity using colon cancer cell lines. The role of plasmid in the production of CPT was studied by purging the plasmid, using acriflavine, as well as reconstituting the bacteria with the plasmid. Results: Four bacterial isolates, Bacillus sp. (KP125955 and KP125956), Bacillus subtilis (KY741853) and Bacillus amyloliquefaciens (KY741854) were found to produce CPT in culture. Both based on ESI-MS/MS and NMR analysis, the identity of CPT was found to be similar to that produced by the host plant. The CPT was biologically active as evident by its cytotoxicity against colon cancer cell line. The production of CPT by the endophyte (Bacillus subtilis, KY741853) attenuated with sub-culture. A likely role of a plasmid in the production of CPT was established. A 5 kbp plasmid was recovered from the bacteria. Bacterial isolate cured of plasmid failed to produce CPT. Conclusion: Our study implies a possible role of a plasmid in the production of CPT by the endophytic bacteria and opens up further work to unravel the exact mechanisms that might be involved.}, doi = {10.1016/j.phymed.2017.09.019}, author = {Soujanya, K. N. and Siva, R. and Kumara, P. Mohana and Srimany, Amitava and Ravikanth, G. and Mulani, F. A. and Aarthy, T. and Thulasiram, H. V. and Santhoshkumar, T. R. and Nataraja, Karaba N. and Shaanker, R. Uma} } @article {43921, title = {Carbonylation of glycerol with urea to glycerol carbonate over supported Zn catalysts}, journal = {Applied Petrochemical Research}, volume = {7}, year = {2017}, month = {APR}, chapter = {41-53}, abstract = {

Glycerol carbonylation with urea is a very feasible option to produce glycerol carbonate with a net result of CO2 fixation through urea synthesis. The prerequisite of an efficient catalyst for this reaction is to possess both acid and basic sites together. Several acidic supports were screened for ZnO catalyst in this work and Zn/MCM-41 was found to exhibit the best activity and almost complete selectivity to glycerol carbonate (GC). Although, non-catalytic glycerol carbonylation resulted in GC formation but glycerol conversion achieved was twice with Zn/MCM-41 as a catalyst. Further to that increase in Zn loading from 2 to 5\% resulted in increase in glycerol conversion from 63 to 82\%. The prepared catalysts were characterized by XRD, NH3 and CO2-TPD and effects of reaction parameters such as catalyst loading, glycerol to urea mole ratio and temperature on glycerol conversion and GC selectivity in batch mode of operation were also studied. Time on stream activity of 5\% Zn/MCM-41 catalyst for continuous carbonylation of glycerol was also studied for ~100 h with an average conversion of ~55\% and complete selectivity to GC. This indicated five times lower productivity of GC per h due to lower residence time than that in a batch operation as compared to that of a continuous operation. Activation energy estimated from the Arrhenius plot was found to be 39.82 kJ mol-1 suggesting that the reaction is kinetically controlled. A reaction pathway mediated by acid and basic sites of the Zn/MCM-41 catalyst is also proposed.

}, keywords = {Acid{\textendash}base ratio, Continuous process, Glycerol carbonate, Glycerol-urea carbonylation, reaction pathway, Supported Zn, Zn loading}, issn = {2190-5533}, doi = {10.1007/s13203-017-0177-2}, author = {Kondawar, S. E. and Mane, R. B. and Vasishta, A. and More, S. B. and Dhengale, S. D. and Rode, C. 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 {44147, title = {Cascade reductive etherification of bioderived aldehydes over Zr-based catalysts}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {OCT}, pages = {4090-4101}, type = {Article}, abstract = {An efficient one-pot catalytic cascade sequence has been developed for the production of value-added ethers from bioderived aldehydes. Etherification of 5-(hydroxymethyl)furfural with different aliphatic alcohols over acidic Zr-montmorillonite (Zr-Mont) catalyst produced a mixture of 5-(alkoxymethyl)furfural and 2-(dialkoxymethyl)-5-(alkoxymethyl)furan. The latter was selectively converted back into 5-(alkoxymethyl)furfural by treating it with water over the same catalyst. The synthesis of 2,5-bis(alkoxymethyl)furan was achieved through a cascade sequence involving etherification, transfer hydrogenation, and re-etherification over a combination of acidic Zr-Mont and the charge-transfer hydrogenation catalyst [ZrO(OH)(2)]. This catalyst combination was further explored for the cascade conversion of 2-furfuraldehyde into 2-(alkoxymethyl)furan. The scope of this strategy was then extended for the reductive etherification of lignin-derived arylaldehydes to obtain the respective benzyl ethers in >80\% yield. Additionally, the mixture of Zr-Mont and ZrO(OH)(2) does not undergo mutual destruction, which was proved by recycling experiments and XRD analysis. Both the catalysts were thoroughly characterized using BET, temperature-programmed desorption of NH3 and CO2, pyridine-FTIR, XRD, inductively coupled plasma optical emission spectroscopy, and X-ray photoelectron spectroscopy techniques.}, doi = {10.1002/cssc.201701275}, author = {Shinde, Suhas and Rode, Chandrashekhar} } @article {43649, title = {Catalytic ozonation of clofibric acid over copper-based catalysts: in situ ATR-IR studies}, journal = {Applied Catalysis B-Environmental}, volume = {209}, year = {2017}, month = {JUL}, pages = {523-529}, abstract = {The current study describes the catalytic ozonation of clofibric acid (CFA) under ambient conditions using copper oxide catalysts synthesized by different methods. The objective of this study is to provide novel catalysts and reaction mechanism for the degradation of emerging pharmaceutical compounds in aqueous solution. Among the various Cu catalysts screened in this study, the Cut-Ali oxide catalyst showed an excellent activity and stability in the degradation and mineralization of CFA. In situ attenuated total reflection IR (ATR-IR) spectroscopy was used to examine the interaction of ozone with the active sites of the catalyst in presence of water and to investigate the possible catalytic mechanism. The presence of Lewis acid sites in the Cut-Ali catalyst increased the amount of chemisorbed water enhancing stronger interaction of ozone to form surface activated species, resulting in higher catalytic activity. The results obtained from in-situ ATR-IR study indicate that surface hydroxyl groups and Lewis acid sites are responsible for promoting the generation of hydroxyl radicals (OHS) from aqueous ozone. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apcatb.2017.02.071}, author = {Sable, Shailesh S. and Ghute, P. P. and Fakhrnasova, D. and Mane, R. B. and Rode, Chandrashekhar V. and Medina, F. and Contreras, S.} } @article {44111, title = {Chiral discrimination through h-1 nmr and luminescence spectroscopy: dynamic processes and solid strip for chiral recognition}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {DEC}, pages = {18303-18313}, type = {Article}, abstract = {The appropriate choice of the host molecules with well-defined optical activity (S-H/R-H) helps in the differentiation between two secondary ammonium ion-derivative guest molecules with different optical activities (R-G/S-G) based on the fluorescence resonance energy transfer (FRET)based luminescence responses. Crown ether-based host molecules with opposite chiral configurations (R-H, S-H) have been derived from 1,1{\textquoteright}-bi-2-naphthol (BINOL) derivatives that have axially chiral biaryl centers. These chiral crown ethers form host-guest complexes (i.e., [2] pseudoro-taxanes) with chiral secondary ammonium ion derivatives (R-G, S-G). NMR spectroscopic studies show that the complexes are in a dynamic equilibrium in solution. Results of the H-1 NMR and fluorescence spectroscopic studies indicate a head-on orientation of the host and guest in the [2] pseudorotaxanes. The difference in the efficiency in the FRET-based responses between anthracene and the BINOL derivatives allow efficient chiral discrimination of the guests. Isothermal titration calorimetry and NMR investigations reveal that inclusion complexes between hosts and guests of the same chirality (R-H center dot R-G, S-H center dot S-G) are more stable relative to those of opposite chirality (R-H center dot S-G, S-H center dot R-G). However, FRET-based energy-transfer efficiency is higher for R-H center dot S-G and S-H center dot R-G complexes. NMR spectroscopic studies show that the relative orientation of the guest in the host cavity is significantly different when the host binds a guest of the same or opposite chirality; furthermore, the latter is more favorable for FRET, thus enabling discrimination between enantiomers. Interestingly, chiral discrimination of guest ions could also be achieved by using silica surfaces modified with chiral host molecules.}, doi = {10.1002/chem.201704837}, author = {Gangopadhyay, Monalisa and Maity, Arunava and Dey, Ananta and Rajamohanan, P. R. and Ravindranathan, Sapna and Das, Amitava} } @article {43541, title = {Colossal photo-conductive gain in low temperature processed TiO2 films and their application in quantum dot solar cells}, journal = {Applied Physics Letters}, volume = {110}, year = {2017}, month = {MAR}, pages = {Article Number: 123902}, abstract = {Colloidal quantum dot (QD) solar cells have seen remarkable progress in recent past to reach the certified efficiency of 10.6\%. Anatase titanium oxide (TiO2) is a widely studied n-type widow layer for the collection of photogenerated electrons in QD solar cells. Requirement of high temperature (similar to 500 degrees C) processing steps proved to be disadvantageous for its applications in flexible solar cells and roll to roll processing, and it also has adverse commercial implications. Here, we report that solar light exposure to low temperature processed (80 degrees C-150 degrees C) TiO2 and niobium doped TiO2 films leads to unprecedented enhancement in their electron densities and electron mobilities, which enables them to be used as efficient n-type layers in quantum dot solar cells. Such photoinduced high conducting states in these films show gradual decay over hours after the light bias is taken off and can be retrieved under solar illumination. On the contrary, TiO2 films processed at 500 degrees C show marginal photo induced enhancements in their characteristics. In bilayer configuration with PbS QDs, photovoltaic devices based on low temperature processed TiO2 films show improved performance over high temperature processed TiO2 films. The stability of photovoltaic devices also improved in low temperature processed TiO2 films under ambient working conditions. Published by AIP Publishing.}, doi = {10.1063/1.4978766}, author = {Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K.} } @article {45730, title = {Computational survey of ligand properties on iron(III)-iron(II) redox potential: exploring natural attenuation of nitroaromatic compounds}, journal = {Monatshefte Fur Chemie}, volume = {148}, year = {2017}, month = {APR}, pages = {655-668}, type = {Article}, abstract = {

This study is a computational investigation of the ligand effect on the redox potential of iron redox couple aimed at screening these systems for novel applications. The influence of common and naturally available organic compounds with diverse ligand characteristics (nature of donor site, chelation, pre-organization, degree of back acceptance) on the redox potential of iron(III)-iron(II) redox couple has been theoretically calculated using an appropriate level of density functional theory (DFT). The DFT calculated redox potentials of iron complexes are explored to supplement, corroborate, and predict the experimental behavior of the studied systems towards environmental reduction of nitroaromatic compounds to corresponding anilines. The comparative avidity of iron complexes with cysteine derivatives for the reduction of nitroaromatic compounds has been theoretically explored and based on structure-activity relationship; new iron complexes with a range of reactivity and enhanced ability towards nitroaromatic reduction have been predicted.

}, keywords = {Catechol derivatives, computational chemistry, Density functional theory, Iron complexes, Ligand effect on redox potential, Natural attenuation, Nitroaromatic compounds}, issn = {0026-9247}, doi = {10.1007/s00706-016-1813-8}, author = {Rizvi, Masood Ahmad and Mane, Manoj and Khuroo, Mohammad Akbar and Peerzada, Ghulam Mustafa} } @article {43165, title = {Concise approach for central core of trigolutes: total synthesis of trigolute B and 3-epi-trigolute B and analogues}, journal = {Tetrahedron}, volume = {73}, year = {2017}, month = {FEB}, pages = {888 - 899}, abstract = {

A concise approach comprising a combination of the Pd- or Ir-catalyzed Tsuji-Trost allylation and olefin dihydrox-ylation/acid catalyzed lactonization has been developed to construct the central spirolactone core of trigolutes with the requisite functional groups. A large number of analogues of trigolute B have been synthesized. Furthermore, the synthesis of both ({\textpm})-trigolute B and ({\textpm})-3-epi-trigolute B has been accomplished in 4{\textendash}5 steps from easily accessible building blocks.

}, author = {Reddy, B. Narendraprasad and Ramana, Chepuri V.} } @article {43484, title = {Concise enantioselective synthesis of 1,4-dideoxy-1,4-imino-D-arabinitol using Co(III)(salen)-catalyzed hydrolytic kinetic resolution of a two-stereocentered anti-azido epoxide}, journal = {Tetrahedron-Asymmetry}, volume = {28}, year = {2017}, month = {JAN}, pages = {162-165}, abstract = {A concise enantioselective synthesis of 1,4-dideoxy-1,4-imino-D-arabinitol, (+)-DAB-1, has been described in good overall yield (18.1\%) and with high enantiomeric purity (up to 98\% ee) starting from a simple raw material, cis-2-butene-1,4-diol. The Co-catalyzed hydrolytic kinetic resolution of a two-stereocentered racemic azido epoxide followed by asymmetric dihydroxylation of the alkene and {\textquoteright}one pot{\textquoteright} reductive cyclisation of the azido diol are key reactions in the synthetic sequence. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetasy.2016.10.013}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Kalshetti, Rupali G. and Sudalai, Arumugam} } @article {45744, title = {Concurrent synthesis of SnO/SnO2 nanocomposites and their enhanced photocatalytic activity}, journal = {Journal of Solid State Electrochemistry}, volume = {21}, year = {2017}, month = {JAN}, pages = {9-17}, type = {Article}, abstract = {

The SnO/SnO2 nanocomposites were synthesized using semisolvothermal reaction technique. These nanocomposites were prepared using different combination of solvents viz., ethanol, water, and ethylene glycol at 180 A degrees C for 24 h. The synthesized nanocomposites were analyzed with various characterization techniques. Structural analysis indicates the formation of tetragonal phase of SnO2 for the sample prepared in ethanol, whereas for other solvent combinations, the mixture of SnO and SnO2 having tetragonal crystal structures were observed. The optical study shows enhanced absorbance in the visible region for all the prepared SnO/SnO2 nanocomposites. The observed band gap was found to be in the range of 3.0 to 3.25 eV. Microstructural determinations confirm the formation of nanostructures having spherical as well as rod-like morphology. The size of nanoparticles in ethanol-mediated solvent was found to be in the range of 5 to 7 nm. Thermogravimetric analysis indicate the weight gain around 1.3 wt\% confirming the conversion of SnO to SnO2 material. The photocatalytic activity of synthesized nanocomposites was evaluated by following the aqueous methylene blue (MB) degradation. The sample prepared in ethylene glycol-mediated solvent showed highest photoactivity having apparent rate constant (K-app) 0.62 x 10(-2) min(-1).

}, keywords = {Dye-degradation, Nanocomposite, Photocatalysis, tin oxide}, issn = {1432-8488}, doi = {10.1007/s10008-016-3328-y}, author = {Roy, Animesh and Arbuj, Sudhir and Waghadkar, Yogesh and Shinde, Manish and Umarji, Govind and Rane, Sunit and Patil, Kashinath and Gosavi, Suresh and Chauhan, Ratna} } @article {43561, title = {Controlling necking in extrusion film casting using polymer nanocomposites}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {56}, year = {2017}, month = {FEB}, pages = {213-233}, abstract = {The research described was concerned with the effect of layered-silicate-based organically modified nanoclay fillers on controlling the extent of necking in a polymer melt extrusion film casting (EFC) process. We show that a linear polythylene resin (such as a linear low-density polyethylene-LLDPE) filled with a very low percentage of well-dispersed (or intercalated) nanoclay displays an enhanced resistance to the necking phenomenon. In general, melt-compounded nanoclay-filled LLDPE resin formulations displayed a higher final film width (less necking), thus a lower final film thickness (greater draw down for the same draw ratio), and cooled down faster when compared to the base LLDPE resin. Incorporation of nanoclay filler in the mainly linear chain LLDPE resin led to significant modification of the melt rheological properties that, in turn, affected the melt processability of these formulations. Primarily, the intercalated nanoclay-filled LLDPE formulations displayed the presence of strain-hardening in unaxial extensional rheology. Additionally, the presence of well-dispersed nanoclay in the LLDPE resin led to a display of prominent extrudate swell indicating the presence of melt elasticity in such formulations. The presence of melt elasticity, as shown by shear rheology and strain-hardening, observed by uniaxial extensional rheology, contributed to the LLDPE nanoclay formulations displaying an enhanced resistance to necking for these films. It can be concluded that linear chain polymers susceptible to necking in an EFC process can be made more resistant to such necking by using nanoclay fillers at very low levels of loading.}, doi = {10.1080/00222348.2017.1289797}, author = {Rokade, Dhammaraj and Azad, Lal B. and Poddar, Suparna and Mishra, Satyendra and Pol, Harshawardhan V. and Shukla, Rishab} } @article {43899, title = {Copper Cobalt Sulfide Nanosheets Realizing a Promising Electrocatalytic Oxygen Evolution Reaction}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {SEP}, chapter = {5871-5879}, abstract = {

Nanostructured CuCo2S4, a mixed metal thiospinel, is found to be a benchmark electrocatalyst for oxygen evolution reaction (OER) in this study with a low overpotential, a low Tafel slope, a high durability, and a high turnover frequency (TOF) at lower mass loadings. Nanosheets of CuCo2S4 are realized from a hydrothermal synthesis method in which the average thickness of the sheets is found to be in the range of 815 nm. Aggregated nanosheets form a highly open hierarchical structure. When used as an electrocatalyst, CuCo2S4 nanosheets offer an overpotential value of 310 mV at a 10 mA cm(2) current density, which remains consistent for 10000 measured cycles in a 1 M KOH electrolyte. A chronoamperometric study reveals constant oxygen evolution for 12 h at a 10 mV s(-1) scan rate without any degradation of the activity. Furthermore, the calculated mass activity of the CuCo2S4 electrocatalyst is found to be 14.29 A/g and to afford a TOF value of 0.1431 s(-1) at 310 mV at a mass loading of 0.7 mg cm(-2). For comparison, nanostructures of Co3S4 and Cu0.5Co2.5S4 have been synthesized using a similar method followed for CuCo2S4. When compared to the OER activities among these three thiospinels and standard IrO2, CuCo2S4 nanosheets offered the highest OER activities at the same mass loading (0.7 mg/cm(-2)). Extensive X-ray photoelectron spectroscopy and electron paramagnetic resonance analyses for a mechanistic study reveal that introduction of Cu into the Co3S4 lattice enhances the oxygen evolution and kinetics by offering Cu2+ sites for utilitarian adsorption of OH, O, and OOH reactive species and also by offering a highly active high-spin state of octahedral Co3+ for OER catalysis.

}, keywords = {Bifunctional Electrocatalyst, Catalyst, Cuco2s4, Efficient Electrocatalyst, electrocatalyst, Electronic-structure, Nanoparticles, Nanosheet, oxide, oxygen evolution, performance, Recent Progress, Water oxidation, Water Splitting Hydrogen Evolution}, doi = { 10.1021/acscatal.7b01831}, author = {Chauhan, Meenakshi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {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 {43880, title = {Coumarin-appended stable fluorescent self-complementary quadruple-hydrogen-bonded molecular duplexes}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {6403-6408}, type = {Article}, abstract = {In this paper we report a coumarin-conjugated self-assembling system adorned with valuable features such as high duplex stability and a built-in fluorophore, which would augment its application potential. This system forms a highly :stalik molecular duplex in a nonpolar solvent (K-dim > 1.9 X 10(7) M-1 in CDCl3). Due to the fluorescent property of coumarin, these new structural motifs may find potential application in material chemistry and supramolecular chemistry.}, doi = {10.1021/acs.joc.7b01249}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {43862, title = {C(sp(3))-F, C(sp(2))-F and C(sp(3))-H bond activation at silicon(II) centers}, journal = {Chemical Communication}, volume = {53}, year = {2017}, month = {SEP}, chapter = {9850-9853}, abstract = {

Silylene [PhC(NtBu)(2)SiN(SiMe3)(2)] (1) cleaves the C(sp(3))-H and C-F bonds of acetophenone and 1,1,1-trifluoroacetophenone, respectively, under mild conditions. The reaction is initiated via a nucleophilic attack from the oxygen to the silicon atom followed by C-F/H bond cleavage. The scope of C-F bond activation has further been extended with C6F6 and C6F5CF3.

}, keywords = {Boron triple bond, C-F Bond, Fluorinated Building-Block, H Activation, Ketones, N-heterocyclic carbenes, Oxodative Addition, Perfluorinated Arenes, Selective Activation, Transition-Metal Centers}, issn = {1359-7345}, doi = {10.1039/c7cc05145j}, author = {Swamy, V. S. V. S. N. and Parvin, Nasrina and Raj, K. Vipin and Sen, Sakya S.} } @article {44153, title = {Cucurbit[7]uril induced formation of fret-enabled unilamellar lipid vesicles}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {OCT}, pages = {10989-10999}, type = {Article}, abstract = {A unique fluorescence resonance energy transfer (FRET) process is found to be operational in a unilamellar lipid self-assembly in the aqueous phase. A newly synthesized naphthyl based long chain lipid derivative [N-(naphthalene-1-ylmethyl)tetradecane-1-ammonium chloride, 14NA(+)] forms various self-assembled architectures in the aqueous phase. Controlled changes in lipid concentration lead to a transition of the self-assemblies from micelles to vesicles to rods. In the presence of cucurbit[7]uril (CB7), 14NA(+) forms a host-guest [2]pseudorotaxane complex (CB7(sic)14NA(+)) and secondary interactions lead to the formation of a lipid bilayer with hydrophobic pockets situated in between the layers. The change in the structure of 14NA(+) assemblies, interaction with CB7 and formation of supramolecular assemblies of CB7(sic)14NA(+) were examined using light scattering, spectroscopic, and microscopic techniques. Entrapment of a luminescent dye, anthracene within the hydrophobic bilayer of the supramolecular assembly CB7(sic)14NA(+) favors a modified luminescent response due to an efficient FRET process. Further, the FRET process could be controlled by thermal and chemical stimuli that induce transformation of unilamellar vesicles.}, doi = {10.1021/acs.langmuir.7b02777}, author = {Kushwaha, Shilpi and Maity, Arunava and Gangopadhyay, Monalisa and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article {43728, title = {DBU-mediated diastereoselective aldol-type cyanomethylation of isatins}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4489-4496}, type = {Article}, abstract = {An efficient, metal-free approach to 3-substituted 3-hydroxybxindole by DBU-mediated highly diastereoselective addition of aryl acetonitrile to N-protected isatin under mild conditions has been developed. The reaction proceeds smoothly to produce respective cyanomethylated adducts in good yield and excellent diastereoselectivity. Further transformation of the cyanide group allowed the synthesis of an advance intermediate of corresponding (+/-) CPC analogue. The mechanistic insight :toward the aldol-type cyanomethylation, of N-tritylisatin with benzyl cyanide was obtained by DFT calculations.}, doi = {10.1021/acs.joc.7b00512}, author = {Rao, V. U. Bhaskara and Kumar, Krishna and Das, Tamal and Vanka, Kumar} } @article {45716, title = {Defect induced modification of structural, topographical and magnetic properties of zinc ferrite thin films by swift heavy ion irradiation}, journal = {Nuclear Instruments \& Methods In Physics Research Section B-Beam Interactions With Materials And Atoms}, volume = {396}, year = {2017}, month = {APR }, pages = {68-74}, type = {Article}, abstract = {

Swift heavy ion irradiation provides unique ways to modify physical and chemical properties of materials. In ferrites, the magnetic properties can change significantly as a result of swift heavy ion irradiation. Zinc ferrite is an antiferromagnet with a Neel temperature of 10 K and exhibits anomalous magnetic properties in the nano regime. Ion irradiation can cause amorphisation of zinc ferrite thin films; thus the role of crystallinity on magnetic properties can be examined. The influence of surface topography in these thin films can also be studied. Zinc ferrite thin films, of thickness 320 nm, prepared by RF sputtering were irradiated with 100 MeV Ag ions. Structural characterization showed amorphisation and subsequent reduction in particle size. The change in magnetic properties due to irradiation was correlated with structural and topographical effects of ion irradiation. A rough estimation of ion track radius is done from the magnetic studies. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Spin glass, Swift heavy ion, Zinc Ferrite}, issn = {0168-583X}, doi = {10.1016/j.nimb.2017.01.046}, author = {Raghavan, Lisha and Joy, P. A. and Vijaykumar, B. Varma and Ramanujan, R. V. and Anantharaman, M. R.} } @article {43829, title = {Deployment of underground coal gasification in India}, journal = {Current Science}, volume = {113}, year = {2017}, month = {JUL}, pages = {218-227}, type = {Article}, doi = {10.18520/cs/v113/i02/218-227}, author = {Singan, Akshay and Ranade, Vivek V.} } @article {43854, title = {Description of Lysinibacillus telephonicus sp nov., isolated from the screen of a cellular phone}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {JUL}, pages = {2289-2295}, type = {Article}, abstract = {A novel bacterial strain, designate dS5H2222(T), was isolated form the screen of a cellular phone. The cells were Gram-stainpositive, rod-shaped, aerobic and motile, and endospores are formed. S5H2222(T) grew as pale white colonies on trypticase soy agar and the best growth was observed at 37 degrees C (10- 55 degrees C) and at pH 7.0 (5.0-9.0). S5H2222(T) could tolerate up to 10\% (w/v) NaCl. Phylogenetic analysis based on 16S rRNA gene sequences placed this strain within the genus Lysinibacillus and it exhibited high 16S rRNA gene sequence similarity to Lysinibacillus halotolerans LAM612(T) (97.8 \%), Lysinibacillus chungkukjangi2RL3-2(T) (97.4 \%) and Lysinibacillus sinduriensis BLB-1(T) (97.2 \%). TheDNA- DNA relatedness of the strain with L. halotolerans JCM 19611(T), L. chungkukjangi KACC 16626(T) and L. sinduriensis KACC 16611(T) was 57, 64 and 55\% respectively. The genomic DNA G+C content was 39.8 mol\%. The major fatty acids of S5H2222(T) were iso-C-15:0, anteiso-C-15:0, iso-C-16:0 and anteiso-C-17:0. MK-7 was the only menaquinone and the main polar lipids were diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine, four unidentified polar lipids were also present. The diagnostic amino acids in the cell wall peptidoglycan contained Lys-Asp (type A4 alpha). On the basis of the results of the phenotypic and genotypic characterizations, it was concluded that S5H2222(T) represents a novel species of the genus Lysinibacillus, for which the name Lysinibacillus telephonicus sp. nov. is proposed. The type strain is S5H2222(T) (=MCC 3065 T =KACC 18714(T)=LMG 29294(T)).}, doi = {10.1099/ijsem.0.001943}, author = {Rahi, Praveen and Kurli, Rashmi and Khairnar, Mitesh and Jagtap, Shubhangi and Pansare, Aabeejjeet N. and Dastager, Syed G. and Shouche, Yogesh S.} } @article {43473, title = {Determination of the absolute configuration of gliomasolide D through total syntheses of the C-17 epimers}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {FEB}, pages = {560-564}, abstract = {The absolute configuration at C-17, the carbon bearing the distal hydroxy group of the 14-membered natural product gliomasolide D, was assigned as R by comparison of C-13 NMR shifts and specific rotation values of the epimers at C-17. The first total synthesis of gliomasolide D along with its C-17 epimer, regioselective macrocyclization (18 membered vs 14 membered), and regioselective Wacker oxidation are highlights of the present work.}, doi = {10.1021/acs.jnatprod.6b00926}, author = {Seetharamsingh, B. and Ganesh, Routholla and Reddy, D. Srinivasa} } @article {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 {43935, title = {DFT study on the effect of relative positions of methyl-, nitro- and N{\textrightarrow}oxide groups on the molecular structure, thermal/kinetic stability, crystal density, heat of decomposition and performance characteristics of triazolones}, journal = {Molecular Physics}, volume = {115}, year = {2017}, month = {APR}, pages = {1-10}, type = {Article}, abstract = {Methyl-, nitro- and N{\textrightarrow}oxide substituted triazolones are of interest in the contest of high-energy density compounds and have been found to have true local energy minima at the B3LYP/aug-cc-pVDZ level. The optimised structures, harmonic frequencies and thermodynamic values for all the model molecules have been obtained in their ground state. The velocity of detonation (D) and detonation pressure (P) have been evaluated by the Kamlet{\textendash}Jacob equations using the crystal density and the heat of explosion. The estimated performance properties are higher (D = 9.92{\textendash}10.27 km/s, P = 48.10{\textendash}52.52 GPa) compared with 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (D = 9.20 km/s, P = 42.0 Gpa). The higher densities are possibly due to the intramolecular hydrogen bonds and the layered structures in the crystal lattice. We speculate that the calculated heat of explosion and the density are for the gas phase compounds and in the reality they should be for the solid phase which would diminish the magnitude of the calculated values. The {\textendash}N{\textrightarrow}O and {\textendash}NO2 group leads to the desirable consequences of higher heat of explosion and diminished sensitivities. The substituting of N{\textendash}H hydrogen atom(s) of triazolones for a {\textendash}CH3 group decreases melting point, heat of formation and density; however, the methyl group increases the thermal stability.}, doi = {10.1080/00268976.2017.1314032}, author = {Ravi, P.} } @article {43504, title = {Diastase induced green synthesis of bilayered reduced graphene oxide and its decoration with gold nanoparticles}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {166}, year = {2017}, month = {JAN}, pages = {252-258}, abstract = {In this paper, we report an enzyme dependent, green one-pot deoxygenation cum decoration method to synthesize diastase-conjugated reduced graphene oxide (DRG) nanosheets, DRG/gold nanoparticles (DRG/Au) composite. The DRG synthesis was completed in 7 h under heating at 90 degrees C on water bath. Selected area electron diffraction (SAED) and Atomic force microscopy (AFM) study has revealed the formation of bilayered reduced graphene oxide sheets. Transmission electron microscopy (TEM) images of DRG/Au composite have shown the uniform decoration of gold nanoparticles (AuNPs) onto the DRG nanosheet surface. Fourier transform infrared spectroscopy (FTIR) and Raman results additionally have shown the functionalization of enzyme molecules onto the DRG nanosheet surface after reduction making it as an effective platform towards the efficient binding of gold nanoparticles. In vitro cytotoxicity studies by MIT assay on A549 and HCT116 cell lines exhibited that the cytotoxicity of the prepared graphene oxide (GO), DRG and DRG/Au is dose dependant. These results have shown that this synthetic method is effective for the production of large scale graphene in a low cost, simple and green method. Since this process avoids the use of hazardous and toxic substances, the produced DRG/Au composites are likely to offer various potential applications in biology and medicine. (C) 2016 Published by Elsevier B.V}, doi = {10.1016/j.jphotobiol.2016.12.008}, author = {Maddinedi, Sireesh Babu and Mandal, Badal Kumar and Patil, Sagar Hindurao and Andhalkar, Vaibhav Vilas and Ranjan, Shivendu and Dasgupta, Nandita} } @article {43926, title = {Diverse profiles of N-acyl-homoserine lactones in biofilm forming isolates of Cronobacter sakazakii}, journal = {Virulence}, volume = {8}, year = {2017}, month = {OCT}, pages = {275-281}, type = {Article}, abstract = {

The present study investigates the role of quorum sensing (QS) molecules expressed by C. sakazakii in biofilm formation and extracellular polysaccharide expression. The QS signaling was detected using Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4(pZLR4) based bioassay. Long chain N-acyl-homoserine lactones (AHLs) with C6- C18 chain length were identified using High Performance Liquid Chromatography and Liquid Chromatography-High Resolution Mass Spectrometry. A higher Specific Biofilm Formation (SBF) index (p \< 0.05) with the presence of genes associated with cellulose biosynthesis (bcsA, bcsC and bcsG) was observed in the strains. AHLs and their mechanisms can serve as novel targets for developing technologies to eradicate and prevent biofilm formation by C. sakazakii.

}, doi = {10.1080/21505594.2016.1226713}, author = {Singh, Niharika and Patil, Amrita and Prabhune, Asmita Ashutosh and Raghav, Mamta and Goel, Gunjan} } @article {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 {43994, title = {Drying of almonds I: single particle}, journal = {Indian Chemical Engineer}, year = {2017}, month = {JUN}, chapter = {1-23}, abstract = {

Drying is an essential unit operation required in food processing industries, particularly in the dry fruits industry. Drying of almonds exhibit many characteristic features such as non-spherical shape, swelling/ shrinkage as a function of moisture content, uneven drying because of their peculiar shape and proximity to other almond kernels and so on. In this study, we have investigated the drying of almonds through experiments and computational modelling. In this regard, Mettler Toledo Halogen moisture analyzer unit was used to conduct experiments for a single almond kernel. In this widely used equipment, internal air flow patterns and therefore heat and mass transfer depend on natural circulation of air. A detailed three-dimensional computational fluid dynamics (CFD) model was used to simulate the air flow pattern, heat and mass transfer in the drying unit. Carefully designed experiments with a single almond kernel were carried out at different temperatures to estimate key parameters of interest (drying kinetics and effective diffusivity). The CFD model was also used to quantify non-uniform heat and mass transfer and therefore non-uniform drying of a single almond kernel. The presented approach, models and results might be useful to improve the performance of drying units in industrial systems. The results and models presented here will also provide a basis for further work on multiple almond kernels and on tray dryer unit. {\textcopyright} 2017 Indian Institute of Chemical Engineers

}, issn = {0019-4506}, doi = {10.1080/00194506.2017.1333464}, author = {Chilka, A. G. and Ranade, V. V.} } @article {44026, title = {Drying of almonds II: multiple particles}, journal = {Indian Chemical Engineer}, year = {2017}, month = {AUG}, pages = {1-18}, type = {Journal Article}, abstract = {

Computational modelling is an efficient and effective tool for modelling the drying process for food products. Developing validated computational models for drying processes is essential to build energy-efficient drying units, producing uniform quality of dried products. This work presents drying behaviour of almonds with a specific focus on understanding interaction among multiple almonds. Eight (2 {\texttimes} 2 {\texttimes} 2) particles and twenty seven (3 {\texttimes} 3 {\texttimes} 3) particles arranged in the shape of a cuboid were used to conduct drying experiments in a Mettler Toledo Moisture Analyzer unit. Experiments were conducted to measure the moisture loss data with respect to drying time using almond kernels. Experimental data were used to understand drying kinetics as well as variation in moisture content with respect to their positions in a cuboid. Computational fluid dynamics based simulations were carried out for the flow, heat transfer and drying of particles in the unit. Actual geometry of individual particles was considered in simulations to predict the variation in velocity, heat and mass transfer coefficients for all the particles. Simulations predicted moisture loss data that matches well with the experimentally measured values. Average moisture for each layer was also compared for various intermediate drying times. Simulation results captured the overall drying process for multiple particles system adequately. The results are compared with the results obtained with drying of a single almond. The approach, models and presented results will be useful for designing large-scale drying units for almonds. {\textcopyright} 2017 Indian Institute of Chemical Engineers

}, keywords = {Almonds, CFD, Drying}, doi = {10.1080/00194506.2017.1363672}, author = {Chilka, A. G.}, editor = {Ranade, V. V.} } @article {44135, title = { Dynamic metabolic reprogramming of steroidal glycol-alkaloid and phenylpropanoid biosynthesis may impart early blight resistance in wild tomato (Solanum arcanum Peralta)}, journal = {Plant Molecular Biology}, volume = {95}, year = {2017}, month = {NOV}, pages = {411-423}, type = {Article}, abstract = {Alternaria solani severely affects tomato (Solanum lycopersicum L.) yield causing early blight (EB) disease in tropical environment. Wild relative, Solanum arcanum Peralta could be a potential source of EB resistance; however, its underlying molecular mechanism largely remains unexplored. Hence, non-targeted metabolomics was applied on resistant and susceptible S. arcanum accessions upon A. solani inoculation to unravel metabolic dynamics during different stages of disease progression. Total 2047 potential metabolite peaks (mass signals) were detected of which 681 and 684 metabolites revealed significant modulation and clear differentiation in resistant and susceptible accessions, respectively. Majority of the EB-triggered metabolic changes were active from steroidal glycol-alkaloid (SGA), lignin and flavonoid biosynthetic pathways. Further, biochemical and gene expression analyses of key enzymes from these pathways positively correlated with phenotypic variation in the S. arcanum accessions indicating their potential role in EB. Additionally, transcription factors regulating lignin biosynthesis were also up-regulated in resistant plants and electrophoretic mobility shift assay revealed sequence-specific binding of rSaWRKY1 with MYB20 promoter. Moreover, transcript accumulation of key genes from phenylpropanoid and SGA pathways along with WRKY and MYB in WRKY1 transgenic tomato lines supported above findings. Overall, this study highlights vital roles of SGAs as phytoalexins and phenylpropanoids along with lignin accumulation unrevealing possible mechanistic basis of EB resistance in wild tomato.}, doi = {10.1007/s11103-017-0660-2}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Panda, Sayantan and Meir, Sagit and Rogachev, Ilana and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {45665, title = {Effect of molecular weight of curing agents on properties of nanocomposites based on epoxy resin and organoclay with reactive modifier}, journal = {Journal of Applied Polymer Science}, volume = {134 }, year = {2017}, month = {MAR}, pages = {44595}, type = {Article}, abstract = {Nanocomposites of epoxy resin and clay modified with half neutralized salt of Jeffamine D400 were prepared by curing separately with three polyetheramines curing agents of different molecular weights and reactivity. The molecular weight of curing agents and their structural similarity with modifier played an important role in deciding the curing behavior, thermomechanical, and morphological properties of epoxy/clay nanocomposites. Morphological analysis carried out by X-ray diffraction (XRD) and transmission electron microscope (TEM) clearly show that the dispersion of clay layers in epoxy matrix decreases with decreasing molecular weight of the curing agents. Curing study done by using temperature modulated differential scanning calorimetry (MDSC) demonstrates that extragallery reaction rate increases with decreasing molecular weight of curing agents. Dynamic mechanical analysis (DMA) of epoxy/3 wt \% modified clay composite prepared by curing with curing agent of higher molecular weight shows around 270\% improvement in storage modulus (glassy) as compared with its neat epoxy network.}, doi = {10.1002/APP.44595}, author = {Jagtap, Siddheshwar B. and Ratna, Debdatta} } @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 {45811, title = {Effect of Ru precursors and reduction conditions on catalyst performance in glycerol hydrogenolysis}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {FEB}, pages = {1734-1745}, type = {Article}, abstract = {Catalyst precursors, their reduction protocols and reaction conditions integrally influenced the activity and selectivity pattern in glycerol hydrogenolysis. Ru prepared from chloride precursor (Ru(Cl)/C-B) showed the maximum selectivity to C-C cleavage products EG (56 \%) and methanol (17 \%) with 23 \% selectivity to 1,2-PDO. While, that prepared from nitrosyl precursor (Ru(n)/C-B) showed higher selectivity to 1,2-PDO (44 \%) and lower to EG (42 \%). The catalysts prepared either with chloride or nitrosyl precursors but reduced by H2 showed lower glycerol conversion (10-11 \%) than NaBH4 reduced catalysts. For these catalysts, 1,2-PDO selectivity increased to 40{\textendash}43 \% along with the major formation of 2-propanol (48-49 \%) and very less selectivities to C-C cleavage products. The lower activity of the H2 reduced catalysts can be related to their lower acidity and the bigger Ru metal particle size (3-5 nm). For Ru(Cl)/C-B catalyst, glycerol conversion increased from 28{\textendash}97 \% with a rise in temperature from 180 to 250 oC also favoring 1,2-PDO selectivity; indicating that C-O bond cleavage was favoured in comparison to C-C scission, at higher temperature. }, issn = {23656549}, doi = {10.1002/slct.201700049}, author = {Mane, R.B. and Patil, S.T. and Gurav, H. and Rayalu, S.S. and Rode, C.V.} } @article {43779, title = {Effect of shape of protrusions and roughness on the hydrophilicity of a surface}, journal = {Chemical Physics Letters}, volume = {658}, year = {2017}, month = {OCT}, pages = {34-39}, type = {Article}, abstract = {We have investigated wetting of model rough surfaces made up of hydrophilic triangular and hexagonal pillars (protrusions). The surface roughnesses are altered by varying the area of the rough surface, the height of the pillars, and the surface interactions to the water. We have established a correlation between structure i.e., the shape of a pillar, which actually depends on the number of edges (due to shape), and the wetting phenomena. We have found that surface with higher number of edges repels water at lower roughness value. We explain the correlation by analyzing the variation of interactions energy components and density profiles of water on the structured surfaces. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2017.07.015}, author = {Chowdhury, Sheelan Sengupta and Pandey, Prithvi Raj and Kumar, Rajnish and Roy, Sudip} } @article {45767, title = {Efficient organic photovoltaics with improved charge extraction and high short-circuit current}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {MAR }, pages = {5523-5530}, type = {Article}, abstract = {

Exciton generation, dissociation, free carrier transport, and charge extraction play an important role in the short-circuit current (J(sc)) and power conversion efficiency of an organic bulk heterojunction (BHJ) solar cell (SC). Here we study the impact of band offset at the interfacial layer and the morphology of active layer on the extraction of free carriers. The effects are evaluated on an inverted BHJ SC using zinc oxide (ZnO) as a buffer layer, prepared via two different methods: ZnO nanoparticle dispersed in mixed solvents (ZnO A) and sol-gel method (ZnO B). The device with ZnO A buffer layer improves the charge extraction and J(sc),. The improvement is due to the better band offset and morphology of the blend near the ZnO A/active layer interface. Further, the numerical analysis of current-voltage characteristics illustrates that the morphology at the ZnO A/active layer interface has a more dominant role in improving the performance of the organic photovoltaic than the band offset.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b01314}, author = {Mohan, Minu and Nandal, Vikas and Paramadam, Sanish and Reddy, Kasala Prabhakar and Ramkumar, Sekar and Agarwal, Sumanshu and Gopinath, Chinnakonda S. and Nair, Pradeep R. and Namboothiry, Manoj A. G.} } @article {44113, title = {Efficient palladium catalyzed Mizoroki-Heck cross-coupling in water}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {DEC}, pages = {5958-5970}, type = {Article}, abstract = {The homogeneous Pd-catalysed Mizoroki-Heck coupling reaction was successfully performed in water in the absence of any additives under aerobic conditions. The various key reaction parameters that affect the yield of the desired cross-coupling product were optimized. The Pd(PPh3)(4)/Et3N/H2O/98 degrees C catalyst system was found to be highly active (TOF = 12 to 14 h(-1)) towards achieving excellent yield of the Mizoroki-Heck coupling products for a wide range of electron-withdrawing as well as electron-donating aryl bromides and chlorides in the shortest reaction time. Pd(PPh3) 4 catalyst deactivation during the Mizoroki-Heck coupling reaction was investigated and to evolve a strategy for achieving ten times Pd-metal recyclability without appreciable loss of its activity. Thus, the proposed mechanism provides access to a variety of olefins in aqueous medium, making this protocol eco-friendly.}, doi = {10.1039/c7gc02869e}, author = {Jadhav, Sanjay N. and Rode, Chandrashekhar V.} } @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 {43776, title = {Electrical resistance tomography for gas holdup in a gas-liquid stirred tank reactor}, journal = {Chemical Engineering Science}, volume = {170}, year = {2017}, month = {OCT}, pages = {476-490}, abstract = {Gas-Liquid flows in stirred tank reactors (STR) are used in many significant industrial operations such as hydrogenation, absorption, stripping, oxidation, hydrogenation, ozonation, chlorination, fermentation, etc. Gas-Liquid STRs are expected to perform several functions such as mixing, dispersing gas into liquid, mass and heat transfer and reactions. Gas hold up distribution and various flow regimes are the key parameters affecting performance of gas-liquid STRs. Various techniques such as visual analysis, photography, light attenuation, optical probe method are used to understand gas hold-up distribution within stirred tanks. Most of these techniques have some limitations with respect to measurement of gas hold up distribution. Electrical Resistance Tomography (ERT) is an upcoming technique for obtaining both qualitative and quantitative data on multiphase process units non-invasively and non-intrusively. In this work, an attempt was made to establish and validate the ERT technique for characterizing gas-liquid flows in a laboratory scale STR using the Rushton turbine impeller. ERT was used to study gas holdup and to identify flow regimes. The results were compared with the visual measurements as well as previously published correlations. The effect of gas flow rate, impeller speed on the mean gas holdup is discussed. The methodology and results presented in this work will be useful to effectively apply ERT for characterizing gas-liquid flows in stirred tanks. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.ces.2017.04.025}, author = {Sardeshpande, Madhavi V. and Gupta, Suraj and Ranade, Vivek V.} } @article {43457, title = {Electrochemical synthesis of a ternary transition metal sulfide nanosheets on nickel foam and energy storage application}, journal = {Journal of Alloys and Compounds}, volume = {695}, year = {2017}, month = {FEB}, pages = {154-161}, abstract = {We report growth of nickel cobalt sulfide (NCS) ultrathin nanosheets directly on Ni foam substrate by a facile and novel electrodeposition method. The as-prepared NCS sample is used as an electrode material for supercapacitor application due to their large electrochemically active surface area and interconnected nanosheet channels for the facilitation of ion transportation. The NCS nanosheets possess enhanced electrochemical performance in terms of fast and high reversible faradaic reactions characterized by prominent oxidation and reduction peaks. NCS nanosheets showed an ultrahigh specific capacitance of 1712 Fg(-1) at a current density of 1 Ag-1 with excellent cyclic stability. The excellent supercapacitor performance of NCS nanosheets can be attributed to its rich redox reactions as well as high transport rate for both electrolyte ions and electrons. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jallcom.2016.10.163}, author = {Sahoo, Surjit and Naik, Kusha Kumar and Late, Dattatray J. and Rout, Chandra Sekhar} } @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 {45681, title = {Electrodeposited nickel cobalt manganese based mixed sulfide nanosheets for high performance supercapacitor application}, journal = {Microporous and Mesoporous Materials}, volume = {244}, year = {2017}, month = {MAY}, pages = {101-108}, type = {Article}, abstract = {Porous multi component Nickel Cobalt Manganese Sulfide (NCMS) nanosheets have been grown on Ni foam by cathodic electrodeposition method. The as-prepared NCMS nanosheets sample is used as an electrode material for supercapacitor application due to its large electrochemically active surface and high porosity structure. Moreover, NCMS nanosheets have good electrical and mechanical connections to the conductive Ni foam to achieve enhanced reaction kinetics with improved electrode integrity. The NCMS nanosheets exhibit an ultrahigh specific capacitance of 2717 Fig at a current density of 1 Aug with excellent cyclic stability and energy density of 94.07 Wh/kg. The electrodeposited NCMS nanosheets with extraordinary electrochemical performance enable the novel electrodes to hold great potential for high efficient energy storage systems. }, doi = {10.1016/j.micromeso.2017.02.043}, author = {Sahoo, S. and Mondal, R. and Late, D. J. and Rout, C. S.} } @article {45734, title = {Electronic control on linear versus branched alkylation of 2-/3-aroylbenzofurans with acrylates: combined DFT and synthetic studies}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JUN }, pages = {7570-7581}, type = {Article}, abstract = {

Investigations on the factors that govern unusual branched alkylation of 2-aroylbenzofurans with acrylates by Ru-catalyzed carbonyl-directed C-H activation has been carried out by calculating the kinetics associated with the two key steps-the coordination of the acrylate with the intermediate ruthenacycle and the subsequent migratory insertion reaction-studied with the help of DFT calculations. Eight possible orientations for each mode of alkylation have been considered for the calculations. From these calculations, it has been understood that there is a synergistic operation of the steric and electronic effects favoring the branched alkylation. Further DFT investigations on the alkylation of the isomeric 3-aroylbenzofurans indicated a preference for the linear alkylation and this has been verified experimentally. Overall, the observed/calculated complementary selectivity in the alkylation of 2-/3-aroylbenzofurans with acrylates reveals that the substrate-dependent charge distribution of the Ru-C bond in the intermediate ruthenacycle is an important determining factor and thus the current work opens up a new domain of substrate design for controlling regioselectivity.

}, keywords = {acrylates, Alkylation, aroylbenzofuran, C-H activation, Density functional calculations}, issn = {0947-6539}, doi = {10.1002/chem.201700643}, author = {Srinivas, Kolluru and Dangat, Yuvraj and Kommagalla, Yadagiri and Vanka, Kumar and Ramana, Chepuri V.} } @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 {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 {44021, title = {Estimation of gas induction in jet loop reactors: influence of nozzle designs}, journal = {Chemical Engineering Research and Design}, volume = {125}, year = {2017}, month = {JUN}, pages = {24-34}, type = {Journal Article}, abstract = {

Jet loop reactors are used widely for conducting gas liquid reactions because of the high mass transfer achieved in the gas{\textendash}liquid ejector. Studies have shown that the mass transfer has a very strong correlation to the amount of gas induced in the ejector, and hence it is important to understand gas induction to enhance the performance of any gas{\textendash}liquid nozzle. In this work, we used a single phase CFD model of the ejector with one adjustable parameter for estimating gas induction rates. After establishing that the model adequately describes the experimental data, the model was used for a quick evaluation of ejector geometries. Influence of key geometric parameters of gas{\textendash}liquid ejectors like nozzle diameter, mixing tube length, distance between the nozzle outlet and mixing tube, suction chamber geometry and diffuser angle was investigated. It was found that dependence of gas induction on geometric parameters like distance between nozzle{\textemdash}mixing tube, suction chamber geometry, diffuser angle was either weak or had a clear maxima at or beyond a certain value of the geometric parameter. Other parameters like mixing tube length and nozzle diameter have a more complex impact on gas induction. The presented approach and results will be useful for quantifying influence of nozzle designs on gas induction rate in jet loop reactors.

}, keywords = {CFD, Gas Induction, Jet Loop Reactors, Nozzle Geometry}, doi = {10.1016/j.cherd.2017.06.027}, author = {Sharma, D.V.}, editor = {Patwardhan, A.W.} } @article {44040, title = {Evaluating a new high-throughput twin-arginine translocase assay in bacteria for therapeutic applications}, journal = {Current Microbiology}, year = {2017}, month = {AUG}, pages = {1-15}, type = {Article in Press}, abstract = {The twin-arginine translocase (Tat) pathway is involved in the transport of folded proteins in bacteria, and has been implicated in virulence and pathogenesis. A simple but efficient assay based on the quantification of the exopolysaccharide colanic acid was developed as a new means to study Tat function. Colanic acid contains a methylpentose (l-fucose) component, and its production is directly linked to the Tat pathway through the transport of enzymes involved in polysaccharide biosynthesis. Monitoring of l-fucose levels can be applied for identification of new Tat substrates and high-throughput screening of Tat inhibitors for therapeutic applications.}, doi = { 10.1007/s00284-017-1321-z}, author = {Ghosh, D.}, editor = {Chougule, S.} } @article {45816, title = {Experimental study and Ab-initio calculations on the molecular structure, infrared and Raman spectral properties of dinitroimidazoles}, journal = {Chemical Data Collections}, volume = {9-10}, year = {2017}, month = {AUG}, pages = {11-23}, type = {Article}, abstract = {The structural and vibrational properties of 1,4-dinitroimidazole, 2,4-dinitroimidazole and 1-methyl-2,4-dinitroimidazole have been explored both experimentally and theoretically. The N1-N6, C2-NO2, C4-NO2, N1-CH3 lengths were found to be varied with the levels of theory and the calculated values were over estimated compared with those of experimental values. The experimental vibrational frequencies were compared with those values calculated at the HF/6{\textendash}311 ++G(d,p), B3P86/6{\textendash}311 ++G(d,p), B3LYP/6{\textendash}311 ++G(d,p) and B3LYP/aug-cc-pVDZ levels. The calculated frequencies were in good agreement with the experimental values and the relative mean deviations between the measured and calculated vibrational frequencies were smaller than 1\% for all molecules. The discrepancies in the bond lengths bond angles and harmonic frequencies are confined to the relative positions of NO2 groups that present a great deviation from the planarity of the molecule. Nevertheless the structural parameters and harmonic vibrational frequencies of nitroimidazoles calculated at the B3LYP/aug-cc-pVDZ level are superior compared with those values computed from other levels of calculation. }, issn = {24058300}, doi = { 10.1016/j.cdc.2017.01.005}, author = {Ravi, P.} } @article {43993, title = {Exploring the gem-dimethyl effect in the formation of imine-based macrocycles and cages}, journal = {New Journal of Chemistry}, volume = {17}, year = {2017}, month = {JUL}, pages = {8721-8724 }, type = {Article}, abstract = {Using the gem-dimethyl effect as a platform, a variety of organic [2+2] macrocycles and [2+3] cofacial cages was obtained in high yields. Imine-based macrocyclization could be performed even at high concentrations (0.5 to 1.0 M), via instant mixing of aldehydes and amines.}, doi = {10.1039/C7NJ02069D}, author = {Madhu, Suresh and Rashmi, E. V. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {43487, title = {Facile one-pot synthesis of aliphatic bridged diaryloxy compounds, cyclic and crown ethers under mild conditions}, journal = {Supramolecular Chemistry}, volume = {29}, year = {2017}, month = {JAN}, pages = {462-470}, abstract = {We report here the facile, room temperature, catalyst free, one pot synthesis of aliphatic bridged diaryloxy compounds, cyclic and crown ethers. Anhydrous potassium carbonate (K2CO3) as a mild base along with dimethyl sulfoxide generates the phenoxide ion which facilitates the nucleophilic substitution of bromoalkanes to yield the corresponding crown ethers.}, doi = {10.1080/10610278.2016.1267858}, author = {Sakate, Sachin and Kamble, Sumit and Chikate, Rajiv and Rode, Chandrashekhar} } @article {43335, title = {Facile synthesis of 3D anode assembly with Si nanoparticles sealed in highly pure few layer graphene deposited on porous current collector for long life Li-Ion battery}, journal = {Advanced Materials Interfaces}, volume = {4}, year = {2017}, month = {MAR}, pages = {Article Number: 1601043}, type = {Article}, abstract = {With its exceptional theoretical charge capacity, silicon holds great promise as an anode material for realization of high energy density Li-ion batteries. However, extensive volume expansion and poor cycle stability of silicon compromise its actual use. In an effort to tame volume expansion and structural disintegration during cycling, an innovative 3D electrode assembly is fabricated involving continuous layer of graphene coated on porous current collector and Si nanoparticles sealed in as an active material. Graphene deposition and pore formation in metal current collector is achieved in a unique single step synthesis. All the active components like current collector, reacting material, and conducting material are manipulated in a way to produce synergistic architecture in a chemical vapor deposition process. Highly pure graphene deposited in this process enables efficient electron transfer from allover of the surface of silicon nanoparticles and prevents continuous solid electrolyte interphase layer formation. This binder free anode assembly shows extremely stable lithium storage performance for over 1000 cycles with 88\% of initial capacity retention and 100\% Coulombic efficiency.}, doi = {10.1002/admi.201601043}, author = {Shelke, Manjusha V. and Gullapalli, Hemtej and Kalaga, Kaushik and Rodrigues, Marco and Devarapalli, Rami Reddy and Vajtai, Robert and Ajayan, Pulickel M.} } @article {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 {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 {43481, title = {Fluoride-mediated dephosphonylation of alpha-diazo-beta-carbonyl phosphonates}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {JAN}, pages = {372-375}, abstract = {The possibility of fluoride-mediated selective dephosphonylation of alpha-diazo-beta-carbonyl phosphonates such as the Ohira-Bestmann reagent has been proposed and executed. The resulting alpha-diazocarbonyl intermediates undergo a (3 + 2)pcycloaddition at room temperature with conjugated olefins and benzynes. Interestingly, under the current conditions, the resulting cycloaddition products underwent either N-acylation (with excess alpha-diazo-beta-carbonyl phosphonates) or Michael addition (with conjugated olefins).}, doi = {10.1021/acs.orglett.6b03573}, author = {Phatake, Ravindra S. and Mullapudi, Venkannababu and Wakchaure, Vivek C. and Ramana, Chepuri V.} } @article {43834, title = {Formal [2+1] annulation (Spiro-Cyclopropanation) reaction between sulfur ylides derived from baylis-hillman bromides and arylidene indane-1,3-dione}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {6159-6162}, type = {Article}, abstract = {

The sulfonium salts derived from the Baylis-Hillman bromides have been successfully employed for the selective cycloproporanation of arylidene indane-1,3-diones to synthesize densely substituted spiro-cyclopropanes in good to excellent yields (upto 94\%). Products were obtained mostly in 1:1 diastereomeric ratio and were isolated in pure form. Diastereoselectivity has been improved by using suitably substituted starting materials. In this case a formal [2+1] annulation reaction competes over a probable [3+2] cycloaddition reaction. The reaction proceeds through a Michael initiated ring closure process of S-ylides to the activated olefins for the formation of structurally strained spiro-cyclopropanes.

}, doi = {10.1002/slct.201701221}, author = {Roy, Suparna and Piradhi, Venkatesh} } @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 {45760, title = {Grafoil-scotch tape-derived highly conducting flexible substrate and its application as a supercapacitor electrode}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {MAR }, pages = {3593-3600}, type = {Article}, abstract = {

Development of flexible supercapacitors is limited by the availability of flexible and durable conducting substrates; a conducting and cheap substrate for the active material deposition is essential for breakthrough progress in this direction. In this report, a highly flexible, conducting, and cheap substrate is prepared by simple stick and peel-off method involving Scotch tape and Grafoil. A Grafoil-Scotch tape derived flexible substrate exhibits a sheet resistance of 7 Omega square(-1) along with a high degree of flexibility and durability. Moreover, its properties are further enhanced by the anodization in order to increase the hydrophilicity and surface area. The substrate is highly thin with a thickness of just 74 mu m. Its practical utility has been demonstrated by electrodepositing MnO2 as an active material and, thereafter, fabricating a solid-state flexible supercapacitor. The fabricated device exhibits high capacitance retention under bent (99\%) and twisted (98\%) conditions along with a low ESR of 7 Omega.

}, issn = {2040-3364}, doi = {10.1039/c7nr00281e}, author = {Soni, Roby and Raveendran, Alka and Kurungot, Sreekumar} } @article {43948, title = {Heterogeneously catalyzed domino synthesis of 3-indolylquinones involving direct oxidative C-C coupling of hydroquinones and indoles}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAY}, chapter = {2238-2247}, abstract = {
Abstract Image

A domino synthesis of 3-indolylquinones was achieved successfully via direct oxidative C{\textendash}C coupling of hydroquinones with indoles over Ag2O and Fe3O4/povidone{\textendash}phosphotungstic acid (PVP{\textendash}PWA) catalysts using H2O2\ in tetrahydrofuran at room temperature. Ag2O catalyzed the in situ oxidation of hydroquinone and 3-indolylhydroquinone intermediates, whereas ferrite solid acid, Fe3O4/PVP{\textendash}PWA, with a 1:4:1 ratio of Fe3O4, PVP, and PWA, catalyzed the activation of quinones. The efficiency of this catalytic domino approach was established by a broad scope of substrates involving a variety of hydroquinones and quinones to give high yields (81{\textendash}97\%) of 3-indolylquinones. Fe3O4/PVP{\textendash}PWA was separated magnetically, whereas simple filtration could separate Ag2O, both of which could be recycled several times without losing their activities.

}, keywords = {Carbonyl compounds (organic); Electron microscopy; Fourier-transform spectroscopy; Redox reaction}, doi = {10.1021/acsomega.7b00201}, author = {Kamble, Sumit B.; and Vyas, Praneet P. and Jayaram, Radha V.; and Rode, Chandrashekhar V.} } @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 {43822, title = {Highly active recyclable SBA-15-EDTA-Pd catalyst for Mizoroki-Heck, Stille and Kumada C-C coupling reactions}, journal = {Journal of Porous Materials}, volume = {24}, year = {2017}, month = {AUG}, pages = {837-846}, type = {Article}, abstract = {Highly efficient SBA-15-EDTA-Pd(11) heterogeneous catalyst was synthesized by covalent anchoring Pd-EDTA complex over organo-modified surface of SBA-15. SBA-15-EDTA-Pd(11) catalyst was found to exhibit excellent catalytic activity in appreciable yield for Heck, Stille and Kumada cross-coupling reactions. Catalytic system exhibited excellent activity for completion of reaction, isolation, Pd loading (0.87 mmol\%) and yields of products as compared to earlier reported heterogeneous supported Pd catalysts. Covalently anchored heterogeneous SBA-15-EDTA-Pd(11) catalyst can be recycled for more than five times without noticeable loss in activity and selectivity.}, doi = {10.1007/s10934-016-0323-8}, author = {Rathod, Jayant and Sharma, Priti and Pandey, Punam and Singh, A. P. and Kumar, Pradeep} } @article {43744, title = {Identification and synthesis of mycalol analogues with improved potency against anaplastic thyroid carcinonia cell lines}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {APR}, pages = {1125-1133}, type = {Article}, abstract = {The marine metabolite mycalol (1) has a specific inhibitory activity on cells of anaplastic thyroid carcinoma (ATC), a very aggressive and rare cancer that does not have effective conventional therapy. In this study, we describe six new related analogues (2-7) that differ in the length of the terminal alkyl residue and the presence of acetate or 3S-hydroxybutyrate (3S)-3HB as a substituent at C-19. Despite the structural{\textquoteright} analogies, some of the new members were significantly more-cytotokic than 1 on cell lines,derivecl from human ATC. Structures inclusive of the 2{\textquoteright}R,3R,4S,7R,8S,19R absolute configuration were asigned to 2-7 on the basis of detailed spectroscopic analysis, synthesis of different isomers, and application of ECD and Mosher{\textquoteright}s methods. This work led to the identification of mycal61-578 (3) as the most potent analogue, with an IC50 of 2.3 mu M on FRO cells:}, doi = {10.1021/acs.jnatprod.7b00043}, author = {Cutignano, Adele and Seetharamsingh, B. and D{\textquoteright}Angelo, Daniela and Nuzzo, Genoveffa and Khairnar, Pankaj V. and Fusco, Alfredo and Reddy, D. Srinivasa and Fontana, Angelo} } @article {43556, title = {Identification of biomolecules involved in the biosynthesis of gold nanoparticles from living peanut seedlings}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {17}, year = {2017}, month = {MAR}, pages = {1787-1795}, abstract = {In present work, we have fabricated gold nanoparticles by treating an aqueous solution of 10(-4) M HAuCl4 with the proteins extracted from roots of in vitro raised peanut seedlings and purified them by FPLC at room temperature. These proteins which tested positive for the reduction of 10(-4) M HAuCl4 were identified as Mannose glucose binding lectin and Ara h 8 allergen isoforms by ESI MS/MS. It is a well known fact that aromatic amino acids possess delocalized pi electrons in their ring structures, rendering them as the best electron donors which can transfer electrons and reduce the acceptor. These results suggest that the aromatic amino acids present in the proteins from the peanut seedlings are the primary biomolecules involved in the reduction of Au (III) to Au (0). We isolated different protein of molecular weight 16.4, 28.3 and 30 kDa involved in the formation of nanoparticles. The protein with molecular weight 16.4 kDa (allergens) yielded NPs of 25-60 nm whereas, the proteins with molecular weight 28.3 kDa and 30 kDa (lectins) yielded highly monodispersed NPs of 5-20 nm in size. The results clearly indicate that the size of nanoparticles can be controlled by different proteins.}, doi = {10.1166/jnn.2017.12879}, author = {Raju, D. and Siddiqui, Ejaz Ahmad and Prasanth, S. and Khan, Bashir M. and Mehta, Urmil J. and Ahmad, Absar} } @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 {44014, title = {Influence of carbon based supports on selectivity behavior of diols and propanol in Ru catalyzed glycerol hydrogenolysis}, journal = {Applied Catalysis B: Environmental}, volume = {204}, year = {2017}, month = {MAY}, chapter = {134-146}, abstract = {

Activated carbon (AC) and three graphite materials were studied as supports for Ru catalyzed glycerol hydrogenolysis to propanediols and 1-propanol. Structural characteristics of AC and graphite materials were found to greatly affect the reducibility and particle size of supported Ru and hence, the activity and product distribution in glycerol hydrogenolysis. XRD of graphite materials showed distinctly (002) plane having highly organized layered structure and the peak intensity decreased in the order of Ru/KS150 \> Ru/HSAG100 \> Ru/KS6 due to decrease in the graphite sheet thickness. In Raman, the intense D band in HSAG100 compared to that in KS6 and KS150 samples indicated its highly amorphous nature or mixed carbon hybridization. Glycerol conversion for Ru on AC was higher than that on graphite and among different graphites, it showed a descending activity order of Ru/KS6 \> Ru/HSAG100 \> Ru/KS150. The product distribution for AC and HSAG100 supported Ru was similar, giving 1-propanol (45\%) alongwith 1,2-propanediol (1,2-PDO) (37\%) and 1,3-propanediol (1,3-PDO) (9{\textendash}11\%). For graphite supports, availability of Ru although bigger in size (4{\textendash}5 nm), would be higher on the surface than in case of AC which formed deep hydrogenolysis products like 1-, 2- propanol, ethanol etc.

}, keywords = {activated carbon, Amorphous carbon, catalysis, Glycerol, Glycerol conversions, Glycerol hydrogenolysis, graphite composites, Graphite supports, Hydrogenolysis, Hydrolysis, layered structures, Particle size, Product distributions, Propanediols, Propanol, Selectivity behavior, Structural characteristics, Structural effect, Structural effects}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2016.11.032}, author = {Mane, Rasika B. and Patil, S. and Shirai, Masayuki and Rayalu, Sadhana S. and Rode, Chandrashekhar V.} } @article {43937, title = {Influences of functionalized nanoclays on morphology and mechanical properties of polyvinyl alcohol based composites by twin-screw extruder}, journal = {Polymer-Plastics Technology and Engineering}, volume = {56}, year = {2017}, month = {MAR}, type = {Article}, abstract = {Polyvinyl alcohol (PVA) based nanocomposites filled with different weight percentage of functionalized nanoclays were prepared by melt processing with a twin-screw extruder. The effective incorporation of amine modified bentonite nanoclays (AMB) in the PVA matrix leads to increase in thermal stability, stress-strain properties. The effect of addition of functionalized nanoclays in PVA matrix exhibits intercalated nanocomposite structure. The thermal decomposition (Td) temperature of the composites increases up to 30 {\textdegree}C, than pristine PVA. The morphology influences were studied by TEM. These clay nanocomposite films could be useful for wound dressing material and for enhancing the moisture absorbance properties.}, doi = {10.1080/03602559.2016.1236390}, author = {Rajeswari, B. and Malarvizhi, N. and Elumalai, Deenadayalan and Jaisankar, Sellamuthu N.} } @article {43840, title = {Interrupting base-mediated benzofuran ring transformation with michael acceptors}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {SEP}, pages = {9816-9823}, type = {Article}, abstract = {

A simple two-stage approach for the synthesis of 3-(2-arylbenzofuran-3-yl)propanoates and propanamides has been developed employing simple acrylates and acrylamides and readily available 3-aroylbenzofurans. The key step of this process involves a base-mediated ring opening of the 3-aroylbenzofurans and subsequent Michael addition of the resulting 1,3-dicarbonyl intermediate with acrylate/acrylamide, followed by the deformylation in one-pot. The resulting products undergo an acid-mediated dehydrative cyclization to arrive at these targets.

}, keywords = {Acyl Benzylic Bromides, Beta-Ketoaldehydes, Efficient Synthesis, Ortho-Hydroxybenzyl Ketones, Phenols, Position, Precursors, Sur Le Benzofuranne, Transposition}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b01267}, author = {Srinivas, Kolluru and Sharma, Rashmi and Ramana, Chepuri V.} } @article {43276, title = {Iron-carbon nanohybrid particles as environmentally benign electrode for supercapacitor}, journal = {Journal of Solid State Electrochemistry }, volume = {21}, year = {2017}, month = {FEB}, pages = {1665-1674}, type = {Article}, abstract = {

In this work, we report the synthesis and electrode applications of iron-carbon nanohybrid particles prepared by carbonization of a nanocomposite of FeOOH nanoneedles and melamine-formaldehyde resin. The chemical composition and microstructure of the material have been characterized using ICP-AES, FT-IR, XRD, FESEM, TEM and XPS. The supercapacitor properties of the MF-Fe-C are studied in detail. A thorough comparison of the supercapacitor performances of MF-Fe-C and bare MF-C has been carried out through detailed electrochemical characterisations employing both two and three-electrode techniques. The nanohybrid showed an enhanced energy density of 127.75 WhKg$^{-}${\textonesuperior}, specific capacitance of \~{}408 F g$^{-}${\textonesuperior} at 1 mVs$^{-}${\textonesuperior} scan rate, and excellent cyclic stability even after 1000 charge-discharge cycles, making it an intriguing material for high energy density supercapacitor devices.

}, doi = {10.1007/s10008-017-3537-z}, author = {Ratha, Satyajit and Vernekar, Dnyanesh and Sivaneri, Kavin and Jagadeesan, Dinesh and Rout, Chandra Sekhar} } @article {43987, title = {Manganese incorporated on glucose as an efficient catalyst for the synthesis of adipic acid using molecular O2 in aqueous medium}, journal = {Applied Catalysis A: General}, volume = {546}, year = {2017}, month = {SEP}, pages = {122-125}, type = {Journal Article}, abstract = {A new manganese incorporated on glucose catalyst Mn@CC-SO3H-NH2 was synthesized and well characterized using FT-IR, PXRD, EDAX, SEM, TEM, [13] C cross-polarization NMR and BET analysis. The catalyst thus synthesized was studied for its utility in the synthesis of industrially important chemical adipic acid starting from readily available cyclohexanone using molecular O2 as a source. Adipic acid was obtained in maximum yield of 82\% using Mn@CC-SO3H-NH2 catalyst in water as a solvent. The catalyst was easily recovered and reused for minimum five runs without any significant loss in the yield of products. Using molecular O2 as an oxidant and water as a solvent, the reaction is very important from green chemistry perspectives and can also be industrially feasible. }, keywords = {Adipic Acid, Catalyst, manganese, recyclable, Water}, doi = {10.1016/j.apcata.2017.08.008}, author = {Nale, S.D.}, editor = {Rathod, P. V.} } @article {43790, title = {Mapping architectural and transcriptional alterations in non-lesional and lesional epidermis in vitiligo}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {In vitiligo, chronic loss of melanocytes and consequent absence of melanin from the epidermis presents a challenge for long-term tissue maintenance. The stable vitiligo patches are known to attain an irreversible depigmented state. However, the molecular and cellular processes resulting in this remodeled tissue homeostasis is unclear. To investigate the complex interplay of inductive signals and cell intrinsic factors that support the new acquired state, we compared the matched lesional and non-lesional epidermis obtained from stable non-segmental vitiligo subjects. Hierarchical clustering of genome-wide expression of transcripts surprisingly segregated lesional and non-lesional samples in two distinct clades, despite the apparent heterogeneity in the lesions of different vitiligo subjects. Pathway enrichment showed the expected downregulation of melanogenic pathway and a significant downregulation of cornification and keratinocyte differentiation processes. These perturbations could indeed be recapitulated in the lesional epidermal tissue, including blunting of rete-ridges, thickening of stratum corneum and increase in the size of corneocytes. In addition, we identify marked increase in the putrescine levels due to the elevated expression of spermine/spermidine acetyl transferase. Our study provides insights into the intrinsic self-renewing ability of damaged lesional tissue to restore epidermal functionality in vitiligo.}, doi = {10.1038/s41598-017-10253-w}, author = {Singh, Archana and Gotherwal, Vishvabandhu and Junni, Paivi and Vijayan, Vinaya and Tiwari, Manisha and Ganju, Parul and Kumar, Avinash and Sharma, Pankaj and Fatima, Tanveer and Gupta, Aayush and Holla, Ananthaprasad and Kar, Hemanta K. and Khanna, Sangeeta and Thukral, Lipi and Malik, Garima and Natarajan, Krishnamurthy and Gadgil, Chetan J. and Lahesmaa, Riitta and Natarajan, Vivek T. and Rani, Rajni and Gokhale, Rajesh S.} } @article {43876, title = {MCM-41-supported phosphotungstic acid-catalyzed cleavage of C-O bond in allyl aryl ethers}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUN}, pages = {4943-4949}, type = {Article}, abstract = {Removal of the protecting allyl group from allyl aryl ethers in the presence of other oxygen protecting groups was successfully achieved using a solid acid supported on the high surface area material MCM-41. The catalyst showed excellent activity in the presence of various electron withdrawing, electron donating, and oxidizable functional groups. The methodology is also very useful for the removal of protecting allyl groups of various natural products such as vanillin, isovanillin, and other oxygen functionalized aldehydes and ketones.}, doi = {10.1039/c7nj00375g}, author = {Sakate, Sachin S. and Kamble, Sumit B. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {43647, title = {Medium constituents mediated engineering for size and shape tuning of gold nanocrystallites}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {51}, year = {2017}, month = {JUL}, pages = {288-294}, abstract = {The current investigation introduces the utilization of cell culture mediums as a novel source for the one plot synthesis as well as stabilization of metal nanoparticles. By varying the medium constituents we could control the size and shape distributions of the gold nanoparticles. Nanospheres of diameter 24 +/- 6 nm and 19 +/- 5 nm were produced using DMEM and M199 mediums respectively, nanoneedles of 150 +/- 50 nm using RPMI medium and nanoflowers of 60 +/- 25 nm using IMDM medium, with an overall yield of 91 +/- 2\%. A remarkable decrease in the reaction duration (<3 min) was noted, irrespective of the growth mediums used. Fourier transform infrared spectroscopy and zeta potential measurements revealed them to have a common protenacious encapping agent with different overall surface charges of -23 +/- 3, -21 +/- 1, -24 +/- 2, and -20 +/- 1 mV for Au@DMEM, Au@RPMI, Au@IMDM and Au@M199 respectively. X-ray diffraction confirmed the purity and crystallinity of the particles with Bragg peaks at (111), (200), (220) and (311) for gold nanocrystals. This approach could lead to the creative utilization of novel eco-friendly sources for the production and size/shape control of nanoparticles. Moreover, the adopted methodology is absolutely green, robust and facile, offering new insights for sustainable synthesis for various biomedical and engineering applications. (C) 2017 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jiec.2017.03.015}, author = {Suresh, Anil K. and Vijay, Veena and Hameed, Bahrudeen S. and Ramasamy, Sureshkumar and Sakthivel, Natarajan} } @article {45743, title = {Metal free acid base catalyst in the selective synthesis of 2,5-diformylfuran from hydroxynnethylfurfural, fructose, and glucose}, journal = {ACS Sustainable Chemistry \& Engineering }, volume = {5}, year = {2017}, month = {JAN}, pages = {701-707}, type = {Article}, abstract = {A novel metal free acid-base (CC-SO3H-NH2) catalyst was synthesized by introducing acidic -SO3H, -COOH, and silyloxypropylamine (-OSiCH2CH2CH2NH2) functional groups on glucose derived carbocatalyst. The catalyst was characterized by Fourier transform infrared (FTIR), powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) analyses. Superior catalytic activity was shown by the catalyst toward one-pot synthesis of DFF using molecular oxygen as the sole oxidant. The catalyst was found to be highly selective in synthesis of 2,5-diformylfuran (DFF) from hydroxymethylfurfural (HMF), fructose, and, more importantly, from glucose with excellent yields. Moreover, the catalyst was easily recycled and reused without any significant loss in its catalytic activity.}, doi = {10.1021/acssuschemeng.6b02053}, author = {Rathod, P. V. and Nale, S. D. and Jadhav, V. H.} } @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 {44169, title = {Metallic cobalt to spinel Co3O4-electronic structure evolution by near-ambient pressure photoelectron spectroscopy}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {OCT}, pages = {21472-21481}, type = {Article}, abstract = {

In the present study, valence band (VB) and core level photoelectron spectroscopy was carried out to investigate the electronic structural changes from polycrystalline Co to spinel Co3O4, via CoO at near ambient pressures (NAP; similar to 0.1). O-2 Co and H-2-CoOx gas solid oxidative and reductive interactions, respectively, have been explored with UV photons (He I) or low kinetic energy electrons (\<= 16 eV) under NAP conditions. Typical VB features of Co metal, CoOx Co3O4, and a mixed phase between any two adjacent features were observed and well corroborated with core level changes. Very significant and characteristic changes were observed with Co 3d features in the VB for each stage from Co oxidation to Co3O4 as well as Co3O4 reduction to CoOx Co(3O)4 and CoO can be reversibly obtained by alternating the conditions between 0.1 mbar of H-2 at 650 K and 0.1 mbar of O 2 at 400 K, respectively. A meaningful correlation is observed between the changes in work function with cation oxidation state; small changes in the stoichiometry can strongly influence the shift in Fermi level and changes in work function under NAP conditions. Reversible work function changes are observed at a constant BE (similar to 5 ev) between oxidation and reduction conditions. While the O 2 p derived feature for CoOx was observed at throughout the redox conditions, the Co 3d band and molecular oxygen or hydrogen vibration feature shifts significantly underscoring the physicochemical changes, such as charge transfer energy and hence changes in satellite intensity. The peak close to E-F originated from the 3d(6)L final state of the octahedral Co3+ 3d band of Co3O4.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b06661}, author = {Reddy, Kasala Prabhakar and Jain, Ruchi and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @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 {43977, title = {MgFeCe ternary layered double hydroxide as highly efficient and recyclable heterogeneous base catalyst for synthesis of dimethyl carbonate by transesterification}, journal = {Catalysis Letters}, volume = {147}, year = {2017}, month = {OCT}, pages = { 2558-2569}, type = {Journal Article}, abstract = {A series of Mg3:Fex + Ce1-x LDHs (3:1) were synthesized by co-precipitation method by varying molar ratio of Fe:Ce between 1:0 to 0:1 (LDH-1 to LDH-6). All synthesized LDHs were characterized by XRD, FT-IR, TEM, N2 sorption, benzoic acid titration and XPS in detail and evaluated for selective synthesis of dimethyl carbonate by transesterification of ethylene carbonate with methanol. It was demonstrated that the structural and basic properties of synthesized LDHs were strongly dependent on the Fe:Ce molar ratio (Ce concentration). The correlation between their physicochemical properties and catalytic performance was studied in detail. Among all synthesized LDHs the best result was obtained with LDH-3 (Fe:Ce = 0.85:0.15) where LDH structure remained intact, and showed high number of strong basic sites on LDH surface. LDH-3 was recycled 7 times while maintaining high catalyst activity and selectivity towards DMC. The obtained results elucidate the important role of Ce in modifying the basic properties of LDH in enhancing the catalytic activity for DMC synthesis. Graphical Abstract: [Figure not available: see fulltext.]. {\textcopyright} 2017, Springer Science+Business Media, LLC.}, keywords = {Dimethyl carbonate, ethylene carbonate, Mg{\textendash}Fe{\textendash}Ce Ternary Hydrotalcite, transesterification}, doi = {10.1007/s10562-017-2146-x}, author = {Nivangune, N. T.}, editor = {Ranade, V. V.} } @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} } @article {43794, title = {Microwave-assisted synthesis of 5-substituted 1H-tetrazoles via [3+2] cycloaddition over a heterogeneous Cu-based catalyst: application to the preparation of N-13-labelled tetrazoles}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {AUG}, pages = {8084-8091}, type = {Article}, abstract = {The [3+2] cycloaddition between various nitriles and sodium azide proceeds smoothly in the presence of a new Cu-II catalyst in N-methyl-2-pyrrolidone (NMP) to give the corresponding 5-substituted 1H-tetrazoles. The desired tetrazoles were obtained in high yields within 3-30 min by employing controlled microwave heating. The reaction most probably proceeds through the activation of the nitrile groups by the Cu-II species, followed by a successive [3+2] cycloaddition with the sodium azide. The good performance of the catalyst enabled the preparation of selected tetrazoles labelled with the positron emitter nitrogen-13 even under conventional heating. The short reaction time, simple work-up procedure, and recyclability of the catalyst are advantages of the method reported here.}, doi = {10.1039/c7nj00568g}, author = {Joshi, Sameer M. and Mane, Rasika B. and Pulagam, Krishna R. and Gomez-Vallejo, Vanessa and Llop, Jordi and Rode, Chandrashekhar} } @article {43468, title = {Modeling G-L-L-S reactor: a case of hydrogenation of nitrobenzene}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {FEB}, pages = {1404-1415}, abstract = {Gas-liquid liquid solid (GLLS) reaction systems are often encountered in manufacturing of fine and specialty chemicals. More often than not, such reaction systems involve multiple reactions, and selectivity toward the desired component always poses challenges. An adequate understanding of various parameters affecting GLLS reactor performance is essential to develop strategies for realizing desired selectivity. In this work, a comprehensive reaction engineering model for simulating four phase hydrogenation reactions has been developed. A generalized mixing cell based framework for a reaction system with four interacting phases (gas [G], aqueous [L], organic [L], and solid catalyst [S]) was developed. The model is written in a general way so as to specify one of the liquid phases as a continuous phase, and the other three phases are dispersed into it. In each cell, vapor space is included. The model includes the possibility of evaporation of solvent and internal condensation (in vapor space). The model can also be applied for a dead end (from a perspective of reacting gas) reactor. Model equations were solved using MATLAB. The equations and solution methodology were verified by comparing numerical solutions with available solutions of various limiting cases. A case of four phase hydrogenation of nitrobenzene to para amino phenol and aniline was considered to illustrate the application of the developed model. Key findings from the model were validated by comparing with laboratory scale experimental data. The model was then used to develop insights and guidelines for enhancing selectivity toward desired product. The developed model and presented results will be useful to develop general guidelines for design and optimization of GLLS reactors.}, doi = {10.1021/acs.iecr.6b03744}, author = {Sharma, Deepankar V. and Patwardhan, Ashwin W. and Ranade, Vivek V.} } @article {44160, title = {Modelling natural and synthetic biological networks}, journal = {Current Science}, volume = {113}, year = {2017}, month = {OCT}, pages = {1221-1222}, type = {Article}, author = {Raghunathan, Anu and Athale, Chaitanya A.} } @article {44114, title = {Modular approach towards functionalized highly stable self-complementary quadruple hydrogen bonded systems}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {10087-10094}, type = {Article}, abstract = {Self-complementary quadruple hydrogen bonded systems have shown potential as key building blocks for developing various supramolecular polymers. Opportunities for the introduction of multiple functionalities would further augment, in principle, their application potential. Herein, we report a novel modular approach to simultaneously introduce two closely aligned side chains into AADD-type self-complementary quadruple hydrogen-bonding systems. Dithiane-tethered ureidopyrimidinone has been used as a reactive intermediate to efficiently attach closely aligned side chains by simply reacting with amines to form highly stable molecular duplexes. These duplexes featuring AADD-type arrays of hydrogen bonding codes are highly stable in non-polar solvents (K-dim > 1.9 x 10(7) M-1 in CDCl3) as well as in polar solvents (K-dim > 10(5) in 10\% DMSO-d(6)/CDCl3). Another notable feature of these self-assembling systems is their insensitivity to prototropy-related issues owing to their prototropic degeneracy, which will enhance their application potential in supramolecular chemistry.}, doi = {10.1039/c7ob02358h}, author = {Rayavarapu, Suresh and Kheria, Sanjeev and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {45748, title = {Molecular features of bile salt hydrolases and relevance in human health}, journal = {Biochimica et Biophysica Acta - General Subjects}, volume = {1861}, year = {2017}, month = {JAN}, pages = {2981-2991}, type = {Article}, abstract = {Background: Bile salt hydrolase (BSH) enzyme is responsible for the de-conjugation of bile salts by commensal bacteria, thus playing a vital role in their colonization and survival in the mammalian intestine and determination of their probiotic potential. Further, bile deconjugation also leads to lowering of cholesterol and alterations in energy homeostasis, thus making BSH a clinically important enzyme. Scope of the review: Many recent observations have indicated that BSH may be involved in a multifaceted array of roles, directly or indirectly in the host and microbial physiology. BSH paralogues have now been found to occur in different microbes including free-living and pathogenic bacteria and Archaea. BSHs from various sources also show differential activity and substrate spectrum. Certain bacteria are known to possess multiple genes for BSH enzymes. BSHs have been reported to influence different metabolic phenomena, including bacterial pathogenesis and the maintenance of lipid and glucose homeostasis in the host. These observations necessitate an intense study into the biochemical, structural and regulatory features of BSH enzymes to better understand their role in regulating bacterial and host metabolism. Major conclusions: In this review, the available information on the characteristics of BSH enzymes have been organized in order to understand their interactions with a wide range of substrates and their myriad physiological roles, from bile resistance to signalling mechanisms. General significance: A detailed exploration of BSH architecture and regulation could provide insights into its evolution and a deeper appreciation of the multiple functions of this enzyme relevant to healthcare.}, doi = {10.1016/j.bbagen.2016.09.024}, author = {Chand, D. and Avinash, V. S. and Yadav, Y. and Pundle, A. V. and Suresh, C. G. and Ramasamy, S.} } @article {42995, title = {Molecular motifs for additives that retard PEO crystallization}, journal = {Polymer Engineering \& Science}, volume = {57}, year = {2017}, month = {AUG}, pages = {857-864}, type = {Article}, abstract = {

We investigate the influence of several bifunctional phenol additives (resorcinol: RES, hydroquinone: HYD, p-hydroxybenzoic acid: PHBA, and p-nitrophenol: PNP) on the crystallization of matrix polymer, polyethyleneoxide. We employ solid state Nuclear Magnetic Resonance spectroscopy (NMR), Differential Scanning Calorimetry (DSC), optical microscopy, and Small Angle X-ray Scattering (SAXS) to investigate crystallization of the additivated PEO and compare with Density Functional Theory (DFT) calculations of additive-PEO interactions. Additive-polymer interactions are a function of the functional groups on the additive. Temperature-dependent spherulitic growth rate measurements from optical microscopy and SAXS lamellar long spacings indicate a distinct trend in the effect of additives on PEO crystallization. Change in PEO crystallization is most pronounced with PNP, followed by PHBA and finally RES and HYD. This trend correlates qualitatively with the binding energies of additive-PEO interactions from DFT studies. Our results suggest that DFT calculations might be a useful screening tool to evaluate the influence of additives on polymer crystallization. POLYM. ENG. SCI., 2016. {\textcopyright} 2016 Society of Plastics Engineers

}, doi = {10.1002/pen.24462}, author = {Shrivastava, Sudhakar Dinesh and Eldho, Kavalakal Mathai and Rajamohanan, P. R. and Ajithkumar, Thalasseril G. and Vanka, Kumar and Kumaraswamy, Guruswamy} } @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 {43940, title = {New pyrene cored small organic molecule with a flexible alkyl spacer: a potential solution processable blue emitter with bright photoluminescence}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {OCT}, pages = {11383-11390}, type = {Article}, abstract = {A new pyrene cored small organic molecule viz. 1,3,6,8-tetrakis(4-((5-(9H-carbazol-9-yl) pentyl)oxy) phenyl)pyrene (PY-II) was designed and synthesized. The carbazole moiety with an alkyl spacer was introduced at 1, 3, 6 and 8 positions of the pyrene core to improve the charge transport properties and solution processability. PY-II exhibited excellent solubility in common organic solvents and high thermal stability up to 345 degrees C. The photoluminescence quantum yield (PLQY) of PY-II in solution was found to be 0.9 with bright blue emission near 450 nm which is just appropriate for the human eye. The solution processed non-doped OLED device fabricated using PY-II as an emissive layer afforded a pure blue emission with CIE coordinates of 0.16 and 0.16, a power efficiency of 0.17 lm W-1, a maximum current efficiency of 0.41 cd A(-1) and a maximum brightness of 202 cd m(-2).}, doi = {10.1039/c7nj01921a}, author = {Valsange, Nitin G. and Wong, F. L. and Shinde, Durgaprasad and Lee, C. S. and Roy, V. A. L. and Manzhos, Sergei and Feron, K. and Chang, Samuel and Katoh, Ryuzi and Sonar, Prashant and Wadgaonkar, Prakash P.} } @article {43883, title = {Nickel-catalyzed N-vinylation of heteroaromatic amines via C-H bond activation}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {SEP}, pages = { 6896-6900}, type = {Article}, abstract = {

Here, we report a ligand- and reductant-free nickel-catalyzed N-vinylation of heteroaromatic amines using biorenewable p-cymene as a solvent. This unprecedented cross-coupling strategy has high functional group tolerance (halides, alkoxy, cyano, chiral motif, etc.) and proceeded via C-H bond activation.

}, keywords = {Alkylation, Amination Reactions, Anilines, Aryl Chlorides, halides, Monoarylation, O Bonds, Precatalyst, Pyrimidines, Removeble Directing Group}, issn = {1477-0520}, doi = {10.1039/c7ob01791j}, author = {Landge, Vinod G. and Rana, Jagannath and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {43947, title = {NIR light-triggered shrinkable thermoresponsive PNVCL nanoshells for cancer theranostics}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {SEP}, pages = {44026-44034}, type = {Article}, abstract = {For the localized treatment of a tumor in a more controlled fashion, several stimuli-responsive nanocarriers and minimally or non-invasive techniques like photothermal therapy (PTT) have emerged. However, PTT is limited to only treatment of small and superficial tumors due to the inability of NIR light to penetrate more and kill the core cells of large and deep-seated tumors. As a preliminary step towards addressing the problem, NIR light-triggered thermoresponsive theranostic nanoshell consisting of chitosan-grafted poly(N-vinyl caprolactam) as core and biocompatible gold as shell (Au PNVCL NS) are synthesized and well characterized by various techniques. PNVCL is polymerized from N-vinyl caprolactam using free radical polymerization method, and chitosan is grafted to raise its lower critical solution temperature (LCST) to hyperthermic temperature (\~{}43 {\textdegree}C). Surface plasmon resonant gold shell over PNVCL NPs core is assembled by ascorbic acid-driven in situ reduction. Core to shell diameter ratio is controlled to tune the peak in NIR region (750 nm). Therapeutic potential of Au PNVCL NS is determined over breast cancer cells MCF-7, while diagnostic potential is compared with the commercial contrast agent-Omnipaque.}, doi = {10.1039/C7RA07485A}, author = {Chauhan, Deepak S. and Singaravelu, Indulekha and Gottipalli, Rupesh and Reddy, B. Pradeep K. and Chikate, Tanmayee and Gupta, Ramkrishn and Jahagirdar, Dushyant N. and Prasad, Rajendra and De, Abhijit and Srivastava, Rohit} } @article {43963, title = {Novel interaction study of Th(IV) and Zr(IV) with 4-sulfonatocalix[6]arene: experimental and theoretical investigation}, journal = {Polyhedron}, volume = {137}, year = {2017}, month = {NOV}, pages = {137}, type = {Journal Article}, abstract = {

Calixarenes based ligands are well known in the extraction of heavy metal ions. The modifications at lower as well as upper rim increase the new possibilities of metal extraction in terms of quantum and selectivity of metal. In comparison to calix[4]arene, complexing nature of calix[6]arene is less studied due to its large size and flexible nature. In the present study, 4-sulfonatocalix[6]arene (SCX6) is synthesized and an attempt has been made to understand its complexation behavior with Th(IV) and Zr(IV) metal ions. The effect of different solvents has been examined along with calculation of binding constants for better complexation possibilities. Though in general, its complexation proves to be at 1:1 stoichiometry with respect to ligand and metal, the specific metals show its characteristic modes of interaction with the ligand. This has been understood through IR spectroscopic analysis and density functional theory based first principle studies. 1H NMR spectra of SCX6 and its complexes with Th(IV) and Zr(IV) metal ions was established. IR, UV{\textendash}Vis, fluorescence spectroscopic studies provided a systematic understanding about the binding behavior of these two metals including interference possibilities from other metals.

}, keywords = {4-Sulfonatocalix[6]arene, DFT, metal complexation, Th(IV) Zr(IV)}, doi = { 10.1016/j.poly.2017.08.026}, author = {Rathod, N.V.}, editor = {Joshi, K.} } @conference {45797, title = {OFET based H2S gas sensing among reducing and mining gases using green synthesis SnO2}, booktitle = {2016 3rd International Conference on Emerging Electronics, ICEE 2016}, year = {2017}, month = {JAN}, publisher = {IEEE}, organization = {IEEE}, address = {Mumbai, India}, abstract = {In this paper we present detection of H2S gas using an organic field effect transistor (OFET) based sensor. A low-cost green synthesis process for SnO2 nanoparticles and bi-layer approach for device fabrication have been adopted to come up with the sensor. With the help of multiparameteric analysis, selectivity towards H2S gas was proved among other reducing and mining gases. }, doi = {10.1109/ICEmElec.2016.8074608}, author = {Surya, S. G. and Roy, S. and Ganne, B. S. P. and Pasam, D. and Sastry, A. B. and Bhagavatula L. V. Prasad} } @article {43688, title = {Optical antenna effect on SiNWs/CuS photodiodes}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600635}, type = {Article}, abstract = {One-dimensional architectures between silicon nanowires (SiNWs) and CuS were fabricated by radio-frequency (RF) magnetron sputtering and analyzed for solid-state photodetector application. Inspired by the subwavelength optical concentration by the surface plasmons on metal nanostructures at the nanoscale, we investigated the effect of gold nanorods (AuNRs) on the optical absorption and photodetection properties of the heterojunction photodiode. AuNRs acting as an optical trapping antenna enhances the light absorption, consequently boosting the photocurrent from the device. A maximum photoresponsivity of 0.36 mA W-1 was achieved under 665 nm excitation wavelength independent of the bias, a value similar to 13 times higher than for the heterojunction photodiode without AuNRs. Such plasmonic sensitization can be useful for improving the sensitivity of visible as well as IR photodetectors. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600635}, author = {Yenchalwar, Sandeep G. and Rondiya, Sachin R. and Shinde, Pravin N. and Jadkar, Sandesh R. and Shelke, M. V.} } @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 {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 {44116, title = {Overcoming the lack of oral availability of cyclic hexapeptides: design of a selective and orally available ligand for the integrin alpha v beta 3}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {DEC}, pages = {16405-16409}, type = {Article}, abstract = {Ahighly systematic approach for the development of both orally bioavailable and bioactive cyclic N-methylated hexapeptides as high affinity ligands for the integrin alpha v beta 3 is based on two concepts: a) screening of systematically designed libraries with spatial diversity and b) masking of the peptide charge with a lipophilic protecting group. The key steps of the method are 1) initial design of a combinatorial library of Nmethylated analogues of the stem peptide cyclo(d-Ala-Ala(5)); 2) selection of cyclic peptides with the highest intestinal permeability; 3) design of sublibraries with the bioactive RGD sequence in all possible positions; 4) selection of the best ligands for RGD-recognizing integrin subtypes; 5) finetuning of the affinity and selectivity by additional Ala to Xaa substitutions; 6) protection of the charged functional groups according to the prodrug concept to regain intestinal and oral permeability; 7) proof of biological effects in mice after oral administration.}, doi = {10.1002/anie.201709709}, author = {Weinmueller, Michael and Rechenmacher, Florian and Marelli, Udaya Kiran and Reichart, Florian and Kapp, Tobias G. and Raeder, Andreas F. B. and Di Leva, Francesco Saverio and Marinelli, Luciana and Novellino, Ettore and Munoz-Felix, Jose M. and Hodivala-Dilke, Kairbaan and Schumacher, Adi and Fanous, Joseph and Gilon, Chaim and Hoffman, Amnon and Kessler, Horst} } @article {43360, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au I /Au III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757 - 761}, doi = {10.1002/ange.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh Sadanand and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad Padmakar and Patil, Nitin T.} } @article {43482, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au-I/Au-III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757-761}, abstract = {Oxidative intramolecular 1,2-amino-oxygenation reactions, combining gold(I)/gold(III) catalysis, is reported. The reaction provides efficient access to a structurally unique ionic pyridinium-oxazole dyad with tunable emission wavelengths. The application of these fluorophores as potential biomarkers has been investigated.}, doi = {10.1002/anie.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {45704, title = {Palladium incorporated on carbonaceous catalyst for Suzuki coupling reaction in water}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {MAR}, pages = {1006-1009}, type = {Article}, abstract = {A new palladium incorporated carbonaceous catalyst Pd@CC SO3H -NH2 was synthesized by introducing palladium on glucose derived carbocatalyst. The catalyst was well characterized and was used for the Suzuki coupling of phenyl boronic acid with different aryl halides under aqueous conditions. This green methodology represents a ligand free, cost-effective and operationally convenient method for the synthesis of a variety of biaryl{\textquoteright}s under the conditions that are tolerant for a broad range of functional groups with good to excellent yields. Moreover, the catalyst could be easily recycled and reused at least five times without any significant loss of its catalytic activity. }, doi = {10.1016/j.tetlet.2017.01.093}, author = {Rathod, P. V. and Jadhav, V.H.} } @article {45766, title = {Penicillin V acylases from gram-negative bacteria degrade N-acylhomoserine lactones and attenuate virulence in Pseudomonas aeruginosa}, journal = {Applied Microbiology and Biotechnology}, volume = {101}, year = {2017}, month = {MAR}, pages = {2383-2395}, type = {Article}, abstract = {

Virulence pathways in gram-negative pathogenic bacteria are regulated by quorum sensing mechanisms, through the production and sensing of N-acylhomoserine lactone (AHL) signal molecules. Enzymatic degradation of AHLs leading to attenuation of virulence (quorum quenching) could pave the way for the development of new antibacterials. Penicillin V acylases (PVAs) belong to the Ntn hydrolase superfamily, together with AHL acylases. PVAs are exploited widely in the pharmaceutical industry, but their role in the natural physiology of their native microbes is not clearly understood. This report details the characterization of AHL degradation activity by homotetrameric PVAs from two gram-negative plant pathogenic bacteria, Pectobacterium atrosepticum (PaPVA) and Agrobacterium tumefaciens (AtPVA). Both the PVAs exhibited substrate specificity for degrading long-chain AHLs. Exogenous addition of these enzymes into Pseudomonas aeruginosa greatly diminished the production of elastase and pyocyanin and biofilm formation and increased the survival rate in an insect model of acute infection. Subtle structural differences in the PVA active site that regulate specificity for acyl chain length have been characterized, which could reflect the evolution of AHL-degrading acylases in relation to the environment of the bacteria that produce them and also provide strategies for enzyme engineering. The potential for using these enzymes as therapeutic agents in clinical applications and a few ideas about their possible significance in microbial physiology have also been discussed.

}, keywords = {N-acylhomoserine lactone acylase, Ntn hydrolase, pathogenesis, Penicillin Vacylase, Quorum quenching}, issn = {0175-7598}, doi = {10.1007/s00253-016-8031-5}, author = {Sunder, Avinash Vellore and Utari, Putri Dwi and Ramasamy, Sureshkumar and van Merkerk, Ronald and Quax, Wim and Pundle, Archana} } @article {43479, title = {Performance of colloidal CdS sensitized solar cells with ZnO nanorods/nanoparticles}, journal = {Beilstein Journal of Nanotechnology}, volume = {8}, year = {2017}, month = {JAN}, pages = { 210-221}, abstract = {

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

}, doi = {10.3762/bjnano.8.23}, author = {Roy, Anurag and Das, Partha Pratim and Tathavadekar, Mukta and Das, Sumita and Devi, Parukuttyamma Sujatha} } @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 {43666, title = {Photo-induced cytotoxicity and anti-metastatic activity of ruthenium(II)-polypyridyl complexes functionalized with tyrosine or tryptophan}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6634-6644}, abstract = {The synergistic effect of oxygen, light, and photosensitizer (PS) has found applications in medicine for the treatment of cancer through photodynamic therapy (PDT). Induction of apoptosis to cancerous cells will prevent tumor metastasis that spreads cancer cells to the neighboring organs/tissues. Herein, we report the two apoptotic Ru(II)-polypyridyl complexes that are functionalized with pendant amino acid moieties tyrosine (1) and tryptophan (2), respectively. These two water soluble complexes were found to interact strongly (K-a(1) = (1.18 +/- 0.28) x 10(5) M-1 and K-a(2) = (1.57 +/- 0.77) x 10(5) M-1) with CT-DNA. Isothermal titration calorimetry (ITC) studies revealed that these complexes bind to CT-DNA through an entropically driven process. Both the complexes showed photo-induced cytotoxicity and exhibit apoptotic activity under photo-irradiation conditions. The comet assay indicated that these complexes can damage cellular DNA, which is attributed to the significant build-up of O-1(2) level even on irradiation with low intensity light (10 J cm(-2), lambda(Range) 450-480 nm). This photoinduced DNA damage and apoptosis in A549 cells was induced by reactive oxygen species (ROS) and occurred through up-regulation of apoptotic marker caspase-3. Control experiments under dark conditions revealed an insignificant cytotoxicity towards these cells for two photosensitive molecules.}, doi = {10.1039/c7dt00670e}, author = {Ramu, Vadde and Aute, Sunil and Taye, Nandaraj and Guha, Rweetuparna and Walker, Michael G. and Mogare, Devaraj and Parulekar, Apoorva and Thomas, Jim A. and Chattopadhyay, Samit and Das, Amitava} } @article {45691, title = {Photovoltaic and photocatalytic performance of electrospun Zn2SnO4 hollow fibers}, journal = {Applied Catalysis B}, volume = {203}, year = {2017}, month = {APR}, pages = {692-703}, type = {Article}, abstract = {The phase pure hollow Zn2SnO4 and green emitting ZnO-SnO2-Zn2SnO4 composite fiber have been prepared by post calcining the as formed fiber by electrospin technique. Depending upon the calcination temperature, the as prepared fiber exhibited a striking variation in composition, microstructure, optical and photo-electrochemical properties. The composition dependent dissimilarity in photovoltaic performance and photocatalytic activity has been established in this work. A relatively enhanced open circuit voltage (Voc) of 0.76 V, fill factor (FF) of 59.78\%, short circuit current Qsc) of 4.2 mA/cm(2) and an overall conversion efficiency (n) of 1.93\% have been achieved for the phase pure Zn2SnO4 porous fiber obtained at the elevated calcination temperature of 1000 degrees C. On the contrary, a relatively reduced Voc, FF, J(sc) and n of 0.70 V, 42.54\%, 3.8 mA/cm(2) and 1.17\%, respectively, have been achieved for the 800 degrees C calcined dense fiber consisting of a mixture of three distinct phases ZnO, SnO2 and Zn2SnO4. Unlike photovoltaic behaviour the trend in photocatalytic performance interestingly got reversed for the ZnO-nO(2)-Zn2SnO4 composite fiber owing to its superior photo-induced charge separation ability followed by generation of larger amount of active hydroxyl radicals (OFF). Our results establish the composite fiber as a preferred photocatalyst in comparison to phase pure Zn2SnO4 towards the textile dyes Methylene blue and Congo red and non absorbing organic pollutants such as Phenol and Bisphenol A under UV illumination.}, doi = {10.1016/j.apcatb.2016.10.035}, author = {Das, P. P. and Roy, A . and Tathavadekar, M. and Devi, P. S.} } @article {45673, title = {Plant cholesterol biosynthetic pathway overlaps with phytosterol metabolism}, journal = {Nature Plants}, volume = {3}, year = {2017}, month = {JAN}, type = {Article}, abstract = {The amount of cholesterol made by many plants is not negligible. Whereas cholesterogenesis in animals was elucidated decades ago, the plant pathway has remained enigmatic. Among other roles, cholesterol is a key precursor for thousands of bioactive plant metabolites, including the well-known Solanum steroidal glycoalkaloids. Integrating tomato transcript and protein co-expression data revealed candidate genes putatively associated with cholesterol biosynthesis. A combination of functional assays including gene silencing, examination of recombinant enzyme activity and yeast mutant complementation suggests the cholesterol pathway comprises 12 enzymes acting in 10 steps. It appears that half of the cholesterogenesis-specific enzymes evolved through gene duplication and divergence from phytosterol biosynthetic enzymes, whereas others act reciprocally in both cholesterol and phytosterol metabolism. Our findings provide a unique example of nature{\textquoteright}s capacity to exploit existing protein folds and catalytic machineries from primary metabolism to assemble a new, multi-step metabolic pathway. Finally, the engineering of a {\textquoteright}high-cholesterol{\textquoteright} model plant underscores the future value of our gene toolbox to produce high-value steroidal compounds via synthetic biology.}, doi = {10.1038/nplants.2016.205}, author = {Sonawane, P. D. and Pollier, J. and Panda, S. and Szymanski, J. and Massalha, H. and Yona, M. and Unger, T. and Malitsky, S. and Arendt, P. and Pauwels, L. and Almekias-Siegl, E. and Rogachev, I. and Meir, S. and Cardenas, P.D. and Masri, A. and Petrikov, M. and Schaller, H. and Schaffer, A. A. and Kamble, A. and Giri, A. P. and Goossens, A. and Aharoni, A.} } @article {43903, title = {Polyhydroxyalkanoates as biomaterials}, journal = {MedChemComm}, volume = {8}, year = {2017}, month = {SEP}, chapter = {1774-1787}, abstract = {

Polyhydroxyalkanoates (PHAs) are biopolymers synthesized by bacteria under unbalanced growth conditions. These biopolymers are considered as potential biomaterials for future applications because they are biocompatible, biodegradable, and easy to produce and functionalize with strong mechanical strength. Currently, PHAs are being extensively innovated for biomedical applications due to their prerequisite properties. The wide range of biomedical applications includes drug delivery systems, implants, tissue engineering, scaffolds, artificial organ constructs, etc. In this article we review the utility of PHAs in various forms (bulk/nano) for biomedical applications so as to bring about the future vision for PHAs as biomaterials for the advancement of research and technology.

}, keywords = {Biomedical Applications, Cancer-therapy, Drug-delivery Systems, In-vitro, Molecular-weight, Poly(Ester Urethane)S, poly(ethylene glycol), Regenerative Medicine, Tissue Engineering Applications, Vitro Antibiotic Release}, issn = {2040-2503}, doi = {10.1039/c7md00252a}, author = {Bhagyashri, S. and Gadgil, Thorat and Killi, Naresh and Rathna, Gundloori V. N.} } @article {44007, title = {Polymer-based hybrid catalyst of low Pt content for electrochemical hydrogen evolution}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {SEP}, pages = {22821-22829}, type = {Journal Article}, abstract = {

Hydrogen is regarded as the most promising fuel to replace conventional fossil fuel. The electrochemical production of hydrogen requires catalyst and development of efficient non-Pt catalysts or catalysts with low Pt content are in demand. Herein, we demonstrate the photochemical synthesis of a hydrogen evolution electrocatalyst poly(α-terthiophene)-Pt nanoparticle hybrid material (polyTT-Pt) of low Pt content and its electrocatalytic activity. The synthesis of polyTT-Pt hybrid material involves the photoinduced electron transfer between α-terthiophene (α-TT) and and the subsequent in situ growth of polymer and Pt nanoparticles. The irradiation of the mixture of α-TT and with sunlamp initiates the oxidative polymerization and reduction of Pt complex to Pt nanoparticles. The polymer has cabbage-like microstructure and the in situ grown Pt nanoparticles have an average size of 1.8 nm. The Pt nanoparticles are embedded into the polymer matrix as well as randomly distributed over the polymer. The hybrid material contains 2.91 wt\% of Pt and it shows characteristic electrochemical signature with an electrochemically active surface area of 35.7 m{\texttwosuperior}/gPt. The hybrid material polyTT-Pt is electrocatalytically highly active though it contains very small amount of Pt. It efficiently catalyses hydrogen evolution reaction (HER) and the bench mark current density of 10 mA/cm{\texttwosuperior} is achieved at an overpotential of 67 mV. The mass activity of the hybrid catalyst is 1172 mA/mgPt at the overpotential of 67 mV. The high activity is ascribed to the high electronic conductivity of the polymer matrix, facile access of electrolyte due to the embedded small nanoparticles and the presence of large number of catalytically active Pt sites. Tafel analysis suggests that the HER follows the Volmer-Tafel mechanism. Polymer-based hybrid catalyst of low Pt content for electrochemical hydrogen evolution. Available from: https://www.researchgate.net/publication/319039592_Polymer-based_hybrid_catalyst_of_low_Pt_content_for_electrochemical_hydrogen_evolution [accessed Oct 16 2017].

}, doi = {10.1016/j.ijhydene.2017.07.152}, author = {Chakrabartty, S.}, editor = {Gopinath, C. S.} } @article {44090, title = {Polyphenylene sulfide- expanded graphite nanocomposites: processing route dependent electrical percolation}, journal = {Journal of Thermoplastic Composite Materials}, volume = {30}, year = {2017}, month = {DEC}, pages = {1603-1614}, type = {Article}, abstract = {Polyphenylene sulfide (PPS)-expanded graphite (ExGr) conducting nanocomposites have been prepared by powder mixing and in situ polymerization routes after sonicating ExGr particles in acetone. Synthesized PPS has been used to make powder mixed composites. The powder mixed composites exhibit a percolation threshold of 3 wt\% due to the formation of graphite nanosheets. When PPS-ExGr composites are prepared by in situ polymerization route, very low electrical percolation threshold less than 0.5 wt\% ExGr is obtained. The low percolation threshold obtained is attributed to better dispersion of ExGr nanosheets in the polymer matrix when compared to powder mixed composites. The synthesized PPS has been characterized by X-ray diffraction, differential scanning calorimetry, and infrared spectroscopy. The formation of graphite nanosheets has been confirmed by transmission and scanning electron microcopy analysis.}, doi = {10.1177/0892705716646420}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, S. D.} } @article {45722, title = {Polypropylene-based conducting nanocomposites: effect of aspect ratio of second conducting filler on the electrical percolation}, journal = {Journal of Thermoplastic Composite Materials}, volume = {30}, year = {2017}, month = {JUN}, pages = {840-854}, type = {Article}, abstract = {

Powder-mixed polypropylene (PP)-graphite binary composites exhibit an electrical percolation threshold at 10 wt\% graphite signifying insulator-semiconductor transition. Three conducting fillers such as carbon black (CB), sonicated expanded graphite (s-ExGr), and carbon nanofiber (CNF) are mixed with PP-7 wt\% graphite binary composites. The electrical percolation threshold has been found to have inverse relation to the aspect ratio of second conducting fillers in hybrid composites. The aspect ratio of second conducting fillers varies in the order CB \< ExGr \< CNF. The electrical percolation threshold is found to vary for the hybrid composites as 2.2 wt\% for CB addition, 0.75 wt\% for ExGr addition, and 0.2 wt\% for CNF addition in the PP-7 wt\% graphite binary composites. When the aspect ratio of second conducting fillers increases, they reduce the barrier for the charge transport. The second conducting fillers occupy the interspace of graphite and alternating current studies show that the effective dielectric constant increases with the concentration of second conducting filler in the hybrid composites. The composites are characterized by transmission electron microscopy and scanning electron microscopy. Melt-crystallized PP-7 wt\% graphite-CNF composites exhibit higher percolation threshold due to decrease in the polymer viscosity which increases the interparticulate distance.

}, keywords = {carbon nanofiber, Conducting polymer composites, Electrical properties, graphite nanosheets, hybrid composites, percolation, scanning, transmission electron microscopy}, issn = {0892-7057}, doi = {10.1177/0892705715614063}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, S. D.} } @article {45672, title = {Pyrethrin accumulation in elicited hairy root cultures of chrysanthemum cinerariaefolium}, journal = {Plant Growth Regulation}, volume = { 81 }, year = {2017}, month = {APR}, pages = {365-376}, type = {Article}, abstract = {The flowers of Pyrethrum (Chrysanthemum cinerariaefolium) are known to contain Pyrethrins that are naturally occurring potential insecticide. Hairy roots were induced from leaves of C. cinerariaefolium using Agrobacterium rhizogenes strain A4. The root clones were characterized in to four groups i.e. thick, unbranched (D2 and D5), thin, highly branched (D3), thick, branched (B2) and thick, highly branched (D1, D6). Six established hairy root clones showed the presence of pyrethrin and were selected for elicitation studies. Growth kinetics studies revealed highest growth index in hairy root clone D1 (592.0) followed by D6 and D3 on dry weight basis after 40 days of culture. The maximum pyrethrin content was found in the clone D3 (7.2 mg/g dw) which is comparable to the flowers obtained from the variety "Avadh". Hairy root clone D2 (5.2 mg/g dw) and D6 (1.3 mg/g dw) contained pyrethrin but in less amount as compared to clone D3. The PCR analysis showed the presence of rol B and rol C genes in all the six hairy root clones while rol A was detected only in D2 clone. The methanolic extract of D3 clone showed antifungal activities against phytopathogenic fungal strains which were found maximum against Curvuleria andropogonis followed by Colletotrichum acutatum and Rhizoctonia solani. Hairy root clones D2, D3 and D6 were elicited with culture filtrate of endophytic fungus (Fusarium oxysporum) and bacteria (Bacillus subtilis). The culture filtrate (4.0 \%v/v) of both the fungal and bacterial origin was found to be effective in enhancing the pyrethrin content in all the tested hairy root clones. Clone D3 showed maximum pyrethrin content on elicitation with F. oxysporum (9.7 mg/g dw) and B. subtilis (9.7 mg/g dw) culture filtrate, which is 32 \% higher than the non elicited D3 hairy roots (7.2 mg/g dw). F. oxysporum also enhanced the hairy root growth resulting into the higher biomass yield of D3 (50 \%) and D2 (76 \%) in comparison to control non elicited hairy root clones of D3 and D2, respectively leading to higher pyrethrin yield.}, doi = {10.1007/s10725-016-0213-8}, author = {Khan, Shamshad A. and Verma, Priyanka and Banerjee, Suchitra and Chaterjee, Arnab and Tandon, Sudeep and Kalra, Alok and Khaliq, Abdul and Rahman, Laiq Ur} } @article {45742, title = {Ratiometric sensor for DNA based on a dual emission Ru(dppz) light-switch complex}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY }, pages = {6079-6086}, type = {Article}, abstract = {

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

}, issn = {1477-9226}, doi = {10.1039/c7dt00801e}, author = {Walker, Michael G. and Ramu, Vadde and Meijer, Anthony J. H. M. and Das, Amitava and Thomas, Jim A.} } @article {43495, title = {Reaction engineering of urea alcoholysis: alkyl carbamates}, journal = {Indian Journal of Chemical Technology}, volume = {24}, year = {2017}, month = {JAN}, pages = {9-19}, abstract = {Urea alcoholysis is a reversible reaction generating alkyl carbamate and ammonia as products. The reaction can be performed non-catalytically or in presence of catalyst. The first step in Reaction engineering analysis is to finalize the reactor configuration. In this case it is important to determine the necessity of reactive separation (simultaneous reaction and separation). This has been addressed by first establishing the reversibility of the reaction through theoretical and experimental investigation. Based on this analysis, an experimental setup comprising tubular reactor and a separator has been built. Experiments have been performed for different alcohols at different flow rates and temperatures. The experimental data is used to establish kinetic parameters. Systematic reaction engineering analysis based on multi-stage ideal reactors with and without simultaneous mass transfer is then carried out in terms of three dimensionless numbers. The analysis presented in this work can be readily applied to a general class of reversible reactions with volatile products and the methodology can be used to develop and design reactors for them. The approach and results presented here will be useful to establish optimal reactor configuration and design for urea alcoholysis reactions.}, author = {Mote, Dhananjay R. and Ranade, Vivek V.} } @article {43476, title = {Reactive distillation for the production of methoxy propyl acetate: experiments and simulation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {FEB}, pages = {832-843}, abstract = {Propylene glycol methyl ether acetate is an industrially important solvent. In this work, we study the applicability of reactive distillation (RD) for its synthesis in the presence of an ion-exchange resin, Amberlyst 15, as a catalyst. Simultaneous separation of water during the course of reaction shifts the reaction in the forward direction, which renders cost effectiveness and compactness to the process. The presence of an azeotrope between methoxy propanol and water complicates the separation, leading to a loss of reactants in the product streams, thereby hampering both conversion and purity. Toluene is thus used as an entrainer to further intensify the process. In this work, the intrinsic kinetic parameters are determined from batch reactor data, and used subsequently to simulate the column performance. An experimentally validated simulator is used to examine the effect of various operating and design parameters. Reactant and product losses are minimized to negligible levels and a significant increase in the conversion is realized.}, doi = {10.1021/acs.iecr.6b03489}, author = {Gadekar-Shinde, Shambala and Reddy, Bhoja and Khan, Mohammad and Chavan, Sanjay and Saini, Dauiat and Mahajani, Sanjay} } @article {43810, title = {Reactivity of difunctional polar monomers and ethylene copolymerization: a comprehensive account}, journal = {Macromolecules}, volume = {50}, year = {2017}, month = {AUG}, pages = {5748-5758}, type = {Article}, abstract = {A comprehensive picture of insertion of 1,1-disubstituted difunctional olefins, their ability to double the functional group density at the same level of incorporation as that of monofunctional olefin, and copolymerization with ethylene has been demonstrated. Exposure of a palladium complex [{P boolean AND O}PdMe(L)] (P boolean AND O = kappa(2)-P,O-Ar2PC6H4SO2O with Ar = 2-MeOC6H4.; L = C2H6OS) to methyl 2-acetamidoacrylate (MAAA) revealed slight preference for 1,2-insertion over 2,1-insertion (1.0:0.7). In contrast, insertion of electron-deficient 2-(trifluoromethyl)acrylic acid (TFMAA) unveiled selective 2,1-insertion {via [(P boolean AND O)PdC5H6F3O2] (11)1. The unstable intermediate 11 undergoes beta-hydride and beta-fluoride elimination to produce subsequent insertion and elimination products. The identity of elimination products (E/Z)-2-trifluoromethyl)but-2-enoic acid [17(E/Z)] and 2-(difluoromethylene)butanoic acid (13) was fully established by 1-2D NMR spectroscopy. These insertion experiments, taken together with insertion rates, suggest that MAAA and TFMAA. are amenable to insertion. Polymerization of ethylene with MAAA, TFMAA, acetamidoacrylic acid, 2-bromoacrylic acid, dimethyl allylmalonate, and allylmalonic acid was catalyzed by [{P boolean AND O}PdMe(L)] (L = C2H3N) (S.ACN), and the highest incorporation of 11.8\% was observed for dimethyl allylmalonate (DMAM). The changes in the surface properties of the copolymers after incorporation of difunctional olefins were evaluated by measuring the water contact angle. Copolymer with highest (11.8\% of DMAM) incorporation revealed a reduced water contact angle of 76 degrees. These findings demonstrate that 1,1-disubstituted difunctional olefins are amenable to polymerization, and incorporation of difunctional olefins In polyethylene backbone leads to the production of relatively hydrophilic polyethylene copolymers.}, doi = {10.1021/acs.macromol.7b01356}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Koshti, Vijay S. and Poddar, Suparna and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Chikkali, Samir H.} } @article {43795, title = {Redox-mediated 3D graphene based nanoscoop design for ultracapacitor applications}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {AUG}, pages = {8390-8398}, type = {Article}, abstract = {Contemporary energy storage devices significantly rely on the rational design of micro and nanostructural features of electrode materials for efficient ion transport. A judicious concept of utilizing the extended charge mobility on the third dimension along with an active redox couple to significantly maximize the capacitance has been demonstrated via (a) the fabrication of a 3D network from 2D graphene and (b) the introduction of an active redox species. Compared with traditional graphene systems, an unprecedented 8-fold gain of capacitance that was sustained with minimal loss even beyond 5000 cycles is achieved and is reported for the first time. This was due to the complementary advantage of both the electric double layer capacitance of the 3D graphene electrode and the redoxmediated pseudocapacitance of K3Fe(CN)(6) in alkaline electrolytes. Colloidal polystyrene spheres with a tunable size range were used as sacrificial templates for generating the 3D network. This design outperforms others, is an excellent candidate as an ultracapacitor and is envisaged to lead to new opportunities in several electrochemical applications.}, doi = {10.1039/c7nj01461a}, author = {Rani, Pallavi and Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article {44011, title = {Repurposing Ivacaftor for treatment of staphylococcus aureus infections}, journal = {International Journal of Antimicrobial Agents}, volume = {50}, year = {2017}, month = {SEP}, pages = {389-392}, type = {Journal Article}, abstract = {

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

}, doi = {10.1016/j.ijantimicag.2017.03.020}, author = {Thakare, R. and Das, S. and Vasudevan, N. and Jachak, G.R. and Reddy, D.S. and Dasgupta, A. and Chopra, S.}, editor = {Singh, A. K.} } @article {44132, title = { Role of localized graphitization on the electrical and magnetic properties of activated carbon}, journal = {Journal of the American Ceramic Society}, volume = {100}, year = {2017}, month = {NOV}, pages = {5151-5161}, type = {Article}, abstract = {The correlation between the magnetic and electrical properties of activated carbon with its microstructure is studied. The changes in the microstructure of activated carbon, after activation at three different temperatures (800 degrees C, 900 degrees C, 1000 degrees C) using different amounts of the activating agent, KOH (KOH/C ratio of 1: 1, 2: 1, 3: 1 and 4: 1), are studied using X-ray diffraction and Raman spectroscopy. The results showed the formation of localized nanographitic domains, along with the changes in the surface area and porosity of the activated carbon. The changes in the microstructure are found to be directly correlated with the magnetic properties and electrical conductivity. The interplay between ordering and disordering parameters in the activated carbon is found to determine the electrical conductivity and magnetic properties.}, doi = {10.1111/jace.15035}, author = {Raj, Kovummal Govind and Joy, Pattayil Alias} } @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 {45690, title = {Route to benzimidazol-2-ones via decarbonylative ring contraction of quinoxalinediones: application to the synthesis of flibanserin, A drug for treating hypoactive sexual desire disorder in women and marine natural product hunanamycin analogue}, journal = {ACS Omega}, volume = { 2 }, year = {2017}, month = {AUG}, pages = {5137-5141}, type = {Article}, abstract = {

A simple and practical method to access a variety of benzimidazol-2-ones is reported here. A series of N-alkylsubstituted benzimidazol-2-ones were synthesized by decarbonylative ring contraction starting from corresponding quinoxalinediones for the first time. The utility of the method has been demonstrated by synthesizing recently approved controversial drug flibanserin (Addyi) and a urea analogue of marine antibiotic natural product hunanamycin-A.

}, doi = {10.1021/acsomega.7b00819}, author = {Shingare, Rahul D. and Kulkarni, Akshay S. and Sutar, Revannath L. and Reddy, D. Srinivasa} } @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 {43995, title = {Selective molecular separation by interfacially crystallized covalent organic framework thin films}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {SEP}, pages = {13083-13091}, type = {Journal Article}, abstract = {Exponential interest in the field of covalent organic frameworks (COFs) stems from the direct correlation between their modular design principle and various interesting properties. However, existing synthetic approaches to realize this goal mainly result in insoluble and unprocessable powders, which severely restrict their widespread applicability. Therefore, developing a methodology for easy fabrication of these materials remains an alluring goal and a much desired objective. Herein, we have demonstrated a bottom-up interfacial crystallization strategy to fabricate these microcrystalline powders as large-scale thin films under ambient conditions. This unique design principle exploits liquid-liquid interface as a platform, allowing simultaneous control over crystallization and morphology of the framework structure. The thin films are grown without any support in free-standing form and can be transferred onto any desirable substrate. The porous (with Tp-Bpy showing highest SBET of 1a151 m2 g-1) and crystalline thin films, having high chemical as well as thermal stability, also hold the merit to tune the thickness as low as sub-100 nm. These nanostructured thin COF films demonstrate remarkable solvent-permeance and solute-rejection performance. A prominent instance is the Tp-Bpy thin film, which displays an unprecedented acetonitrile permeance of 339 L m-2 h-1 bar-1.}, doi = { 10.1021/jacs.7b06640}, author = {Dey, K. and Das, A and Mukherjee, R. and Kharul, U. K. and Banerjee, R.}, editor = {Pal, M.} } @article {45656, title = {Selective molecular sieving in self-Standing porous covalent-Organic-framework membranes}, journal = {Advanced Materials}, volume = {2}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Self-standing, flexible, continuous, and crack-free covalent-organic-framework membranes (COMs) are fabricated via a simple, scalable, and highly cost-effective methodology. The COMs show long-term durability, recyclability, and retain their structural integrity in water, organic solvents, and mineral acids. COMs are successfully used in challenging separation applications and recovery of valuable active pharmaceutical ingredients from organic solvents.}, doi = {10.1002/adma.201603945}, author = {Kandambeth, S. and Biswal, B. P. and Chaudhari, H. D. and Rout, K. C. and Kunjattu, H. S. and Mitra, S. and Karak, S. and Das, A. and Mukherjee, R. and Kharul, U. K. and Banerjee, R.} } @article {45741, title = {Selective self-etherification of 5-(hydroxymethyl) furfural over Sn-Mont catalyst}, journal = {Catalysis Communications}, volume = {88}, year = {2017}, month = {JAN}, pages = {77-80}, type = {Article}, abstract = {Sn-Mont was found to be a highly efficient catalyst for self-etherification of 5-(hydroxymethyl)furfural (HMF) to give 5,5{\textquoteright}-oxy(bis-methylene)-2-furaldehyde (OBMF). L-B acidity of Sn(OH)(4) species enwrapped into the layers of montmorillonite was responsible for the excellent activity of Sn-Mont catalyst giving almost complete conversion of HMF with 98\% selectivity to OBMF. Aprotic non-polar, dichloroethane was most effective solvent due to the facile formation of oxonium ion mediating etherification reaction. The catalyst showed suitable recyclability confirming its appreciable hydrolytic stability in water, and retention of its acidity. }, doi = { 10.1016/j.catcom.2016.09.034}, author = {Shinde, S and Rode, C} } @article {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 {43784, title = {Significance of optimal N-doping in mesoporous carbon framework to achieve high specific capacitance}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {40-48}, type = {Article}, abstract = {Nitrogen-doped mesoporous carbon (NMC) has been synthesized by sol-gel process using a mixture of phenol and formaldehyde as source of carbon, and melamine as source of nitrogen. The Ludox-AS40 (40 wt\% SiO2) is employed, for the first time, as hard template to obtain polymeric gel by prolonged heat treatment at 80 degrees C. The wt\% of nitrogen is tuned by varying the weight ratio of melamine to phenol. Stable mesoporous carbon frameworks are obtained by pyrolysis of the dry gel at 800 degrees C in nitrogen atmosphere and treated with alkali to remove silica. One of the carbon framework samples has 11 wt\% nitrogen doping and shows pore volume of 0.5 cm(3) g(-1) and surface area 609 m(2) g(-1). The other carbon frame work sample has 6 wt\% nitrogen doping and shows higher pore volume of 1.1 cm(3) g(-1) and surface area 736 m(2) g(-1). The later sample exhibits highest electrochemical capacitance of 196 F g(-1) at 0.5 A g(-1) while the former shows only 146 F g(-1) at 0.5 A g(-1). However, both the NMC electrodes show good cyclic performance (91\% of the initial capacitance after 1000 cycles) in an aqueous KOH electrolyte. This study demonstrates that there is an optimum level of nitrogen doping required to keep the meso-structure of carbon network intact, simultaneously maintaining high surface area and sufficient electrical conductivity for electrochemical applications. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2016.11.181}, author = {Sahoo, Malaya K. and Gogoi, Pranjal and Rajeshkhanna, G. and Chilukuri, Satyanarayana V. and Rao, G. Ranga} } @article {43748, title = {Solvent-free glycerol transesterification with propylene carbonate to glycerol carbonate over a solid base catalyst}, journal = {Energy \& Fuels}, volume = {31}, year = {2017}, month = {APR}, pages = {4361-4371}, type = {Article}, abstract = {Glycerol transesterification using propylene carbonate (PC) to glycerol carbonate.(GC) could be efficiently performed under solvent-free {\textquoteright}conditions {\textquoteright}wing solid base as catalysts involving non-noble metal oxide in combination with hydrotalcites (HTs). Among all of the catalysts studied for transesterification, the best result was obtained over a calcium-doped hyclrotalcite (Ca-FIT) catalyst, giving 84\% conversion of glycerol and almost complete. GC selectivity. The crystal structure of HT was modified by incorporation of Ca and La into FIT, as revealed by X-ray diffraction studies. The temperature-programmed desorption of carbon dioxide study confirmed the presence of the highest basic site density in terms of 1.94 mmol of CO2 desorbed/g of catalyst, responsible for its higher transesterification efficiency of the Ca-HT catalyst. The Fourier transform infrared spectroscopy study showed peaks at 3036 and 3042 cm(-1) for Ca -HT and lanthanum-doped hydrotalcite (La -HT), respectively, confirming the presence of hydrogen bonding between water and interlayer carbonate anions responsible for abstracting proton from the primary hydroxyl group of glycerol to attack over carbonyl carbon of PC. The presence of intercalated carbonate ions is also confirmed by the Raman study, in both PIT and ca-HT catalysts and even after use of the Ca HT catalyst. The thermogravimetry-differential thermal analysis study evidenced the higher thermal stability of the Ca -HT (T-4 = 765 degrees C) catalyst than that of parent HT with a Mg/Al ratio of 3:1 (T4 = 630 degrees C). Various process conditions, such as the temperature, molar ratio of glycerol/PC, and catalyst loading, significantly influenced conversion and selectivity of glycerol: and GC, Tespectively.}, doi = {10.1021/acs.energyfuels.7b00034}, author = {Kondawar, Sharda and Rode, Chandrashekhar} } @article {43885, title = {Spectroscopic and reactivity comparisons of a pair of bTAML complexes with Fe-V=O and Fe-IV=O units}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {JUN}, pages = {6352-6361}, type = {Article}, abstract = {In this report we compare the geometric and electronic structures and reactivities of [Fe-V(O)](-) and [Fe-IV(O)](2-) species supported by the same ancillary nonheme biuret tetraamido macrocyclic ligand (bTAML). Resonance Raman studies show that the Fe-O vibration of the [Fe-IV(O)](2-) complex 2 is at 798 cm(-1), compared to 862 cm(-1) for the corresponding [Fe-V(O)](-) species 3, a 64 cm(-1) frequency difference reasonably reproduced by density functional theory calculations. These values are, respectively, the lowest and the highest frequencies observed thus far for nonheme high-valent Fe-O complexes. Extended X-ray absorption fine structure analysis of 3 reveals an Fe-O bond length of 1.59 angstrom, which is 0.05 angstrom shorter than that found in complex 2. The redox potentials of 2 and 3 are 0.44 V (measured at pH 12) and 1.19 V (measured at pH 7) versus normal hydrogen electrode, respectively, corresponding to the [Fe-IV(O)](2-)/[Fe-III(OH)](2-) and [Fe-V(O)](-)/[Fe-IV(O)](2-) couples. Consistent with its higher potential (even after correcting for the pH difference), 3 oxidizes benzyl alcohol at pH 7 with a second-order rate constant that is 2500-fold bigger than that for 2 at pH 12. Furthermore, 2 exhibits a classical kinteic isotope effect (KIE) of 3 in the oxidation of benzyl alcohol to benzaldehyde versus a nonclassical KIE of 12 for 3, emphasizing the reactivity differences between 2 and 3.}, doi = {10.1021/acs.inorgchem.7b00448}, author = {Pattanayak, Santanu and Jasniewsk, Andrew J. and Rana, Atanu and Draksharapu, Apparao and Singh, Kundan K. and Weitz, Andrew and Hendrich, Michael and Que, Lawrence, Jr. and Dey, Abhishek and Sen Gupta, Sayam} } @article {44413, title = {Study of nanofiber scaffolds of PAA, PAA/CS, and PAA/ALG for its potential use in biotechnological applications}, journal = {International Journal of Polymeric Materials}, year = {2017}, month = {MAY}, abstract = {In recent times, electrospun nanofibers have been widely studied from several biotechnological approaches; in this work, poly (acrylic acid) solutions mixed with chitosan and alginate were electrospun and characterized in order to determine the behavior of these fibers when used in combination with bacteria, different samples were incubated with the bacterial strains: Streptomyces spp., Micromonospora spp. and Escherichia coli and a OD600 test was performed. The formation of nanofibers via electrospinning and the physicochemical properties of the obtained fibers were evaluated. Results showed that the presence of Chitosan enhanced the thermal stability of poly (acrylic acid), since poly (acrylic acid)/alginate fibers lost 5\% of their mass at 41{\textdegree}C while poly (acrylic acid)/chitosan lost this amount at around 125{\textdegree}C. The fibers demonstrated suitable characteristics to be used as a bacteria bioreactor.}, doi = {10.1080/00914037.2017.1378887}, author = {Rodolfo, Velasco and Ricardo, Vera-Graziano and L{\'o}pez-Maldonado, E.A. and Mercedes, Oropeza and Dastager, Syed and Adriana, {\'A}lvarez-Andrade and Ana, leticia Iglesias and Luis, Jes{\'u}s Villarreal-G{\'o}mez} } @article {43266, title = {Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as anti-mycobacterial agents}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {JAN}, pages = {200-209}, type = {Article}, abstract = {Resistance among dormant mycobacteria leading to multi-drug resistant (MDR) and extremely-drug resistant(XDR) tuberculosis is one of the major threats. Hence, a series of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione derivatives (4a-5c) have been synthesised and screened for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra (H37Ra). Thetriazolethiones4b and 4v showed high anti-tubercular activity (both MIC and IC50) against the dormant H37Ra by in vitro and ex vivo. They were shown to have more specificity towards mycobacteria than other gram-negative and gram- positive pathogenic bacteria. The cytotoxicity was almost insignificant up to 100 μg/mL against THP-1, A549 and PANC-1 human cancer cell lines, and solubility was high in aqueous solution, indicating the potential of developing these compounds further as novel therapeutics against tuberculosis infection.}, doi = {10.1111/cbdd.12939}, author = {Sonawane, Amol and Rode, Navnath D. and Nawale, Laxman U. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman} } @article {44091, title = {Synthesis, biological evaluation, and molecular docking studies of novel 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles derivatives targeting Mycobacterium tuberculosis}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {DEC}, pages = {1206-1214}, type = {Article}, abstract = {A small library of new 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles was synthesized and screened for the antimycobacterial potency against Mycobacterium tuberculosis H37Ra strain and Mycobacterium bovis BCG both in active and dormant stage. Among the synthesized library, 25 compounds exhibited promising anti-TB activity in the range of IC(50)0.03-5.88g/ml for dormant stage and 20 compounds in the range of 0.03-6.96g/ml for active stage. Their lower toxicity (>100g/ml) and higher selectivity (SI=>10) against all cancer cell lines screened make them interesting compounds with potential antimycobacterial effects. Furthermore, to rationalize the observed biological activity data and to establish a structural basis for inhibition of M.tuberculosis, the molecular docking study was carried out against a potential target MTB CYP121 which revealed a significant correlation between the binding score and biological activity for these compounds. Cytotoxicity and in vivo pharmacokinetic studies suggested that 1,2,4-triazole analogues have an acceptable safety index, in vivo stability and bio-availability.}, doi = {10.1111/cbdd.13040}, author = {Rode, Navnath D. and Sonawane, Amol D. and Nawale, Laxman and Khedkar, Vijay M. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman and Joshi, Rohini R.} } @article {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 {43893, title = {Synthesis of isohexide-di(ether-ene)s and ADMET polymerization}, journal = {Green Materials}, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {As the fossil fuel reserves deplete and the greenhouse gases increase, the scientific community is challenged to provide sustainable solutions. Sugar-based isohexides can be modified to prepare a library of isohexide-diene monomers for polymerization. Such isohexide diene monomers can be subjected to Acyclic Diene Metathesis Polymerization to obtain green materials. Here we report a single step synthetic protocol to access a small family of isohexide-di(ether-ene)s and the corresponding polymers. The isohexide di(ether-ene)s 2a-2c could be isolated in good to excellent yields under optimized conditions. The resultant isohexide-di(ether-ene)s 2a-2c are potential versatile building blocks for pharmaceuticals and material science. The synthetic utility of 2a-2c was demonstrated by subjecting them to ADMET polymerization using Grubbs 1st and 2nd generation catalysts. The resultant viscous material was evaluated using 1H NMR and MALDI-ToF-MS, which suggests the formation of anticipated ADMET polymers}, doi = {10.1680/jgrma.16.00017}, author = {Rajput, Bhausaheb S. and Lekshmy, Kalpakasseril Girija and Menon, Shamal K. and Chikkali, Samir H.} } @article {45705, title = {Synthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights}, journal = {Inorganica Chimica Acta}, volume = {461}, year = {2017}, month = {MAY }, pages = {84-91}, type = {Article}, abstract = {

New bisphosphoramides (having phenyl (EDAPOPh(2)) and ethoxy (EDADEP) substituents attached to phosphoryl groups bridged with ethylenediamine spacer) are synthesized and structurally characterized by spectroscopic techniques as well as elemental analysis. The molecular structure of EDAPOPh(2) was determined by single crystal X-ray diffraction technique. The interaction of these bisphosphoramides with calf thymus DNA (ct-DNA) is investigated using UV-Visible absorption and fluorescence spectral data as well as the DFT calculations. These studies reveal that EDAPOPh(2) and EDADEP interact with DNA in a partial intercalation mode. The intrinsic binding constants K-b of two different bisphosphoramides with ct-DNA were determined by fluorescence spectroscopy as 2.08 x 10(4) and 3.86 x 10(4) M-1 respectively. The results indicated that the two compounds bind to ct-DNA with different binding affinities, i.e. EDAPOPh(2) \> EDADEP. The binding mechanism of these bisphosphoramides to ct-DNA is also discussed. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Bisphosphoramides, crystal structure, DNA interaction, Molecular docking}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.02.017}, author = {Goud, E. Veerashekhar and Sivaramakrishna, Akella and Vijayakrishna, Kari and Rao, C. V. S. Brahmmananda and Khedkar, Vijay M. and Jha, Prakash C.} } @article {45746, title = {Tandem synthesis of glycidol via transesterification of glycerol with DMC over Ba-mixed metal oxide catalysts}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {FEB}, pages = {1763-1774}, type = {Article}, abstract = {Glycerol carbonate (GC) and glycidol (GD) are commercial products possible from glycerol transformation, which has become a subject of great importance. Among several basic catalysts screened in this work, BaO showed the highest glycerol conversion of 71\% with almost complete selectivity to GC. A tandem synthesis of GD with a selectivity as high as 80\% with 98\% glycerol conversion could be achieved with mixed oxides of Ba and lanthanides (La and Ce) prepared by the coprecipitation method. Although BaO alone showed the highest basicity as measured by CO2 TPD, tuning of basicity by incorporation of CeO2 resulted in the formation of GD. Incorporation of Ba into the ceria matrix induced oxygen vacancies in the cerium oxide material. The presence of u"/v" doublets at 888.7 and 903.2 eV, respectively, in XPS of the Ba-Ce sample also confirmed the oxygen vacancies in the lattice. In this tandem approach to GD, the subsequent decarboxylation of initially formed GC was due to the presence of a CeO2 lattice with defects, which is known to be the best for CO2 adsorption. Increase in both catalyst loading and temperature showed a dramatic enhancement in GD selectivity. A plausible reaction pathway for the transesterification of glycerol with DMC to give GC followed by its decarboxylation to GD is also proposed based on the structural characterization and activity studies.}, doi = {10.1021/acssuschemeng.6b02520}, author = {Kondawar, S. E. and Patil, C. R. and Rode, C. V.} } @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 {44039, title = {Tf2NH-catalyzed 1,6-conjugate addition of vinyl azides with p-quinone methides: a mild and efficient method for the synthesis of β-bis-arylamides}, journal = {Synthesis}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Tf2NH-catalyzed tandem 1,6-conjugate addition/Schmidt type rearrangement using vinyl azides and p-quinone methides to access a variety of β-bis-arylated amides is reported. The method is quick, efficient, mild, and high yielding with broad substrate scope.}, doi = {10.1055/s-0036-1588546}, author = {Rathod, Jayant and Sharma, Brijesh M. and Mali, Pramod S. and Kumar, Pradeep} } @article {43645, title = {Thermally conductive thin films derived from defect free graphene-natural rubber latex nanocomposite: preparation and properties}, journal = {Carbon}, volume = {119}, year = {2017}, month = {AUG}, pages = {527-534}, abstract = {Commercially useful rubber products viz. gloves, condoms, tyres, and rubber hoses used in high temperature environments, etc., require efficient thermal conductivity, which increases the lifetime of these products. Graphene can fetch this property, if it is effectively incorporated into the rubber matrix. The great challenge in preparing graphene-rubber nanocomposites is formulating a scalable method to produce defect free graphene and its homogeneous dispersion into polymer matrices through an aqueous medium. Here, we used a simple method to produce defect free few layer (2-5) graphene, which can be easily dispersed into natural rubber (NR) latex without adversely affecting its colloidal stability. The resulting new composite showed large increase in thermal conductivity (480-980\%) along with 40\% increase in tensile properties and 60\% improvement in electrical conductivity. This study provides a novel and generalized approach for the preparation of graphene based thermally conductive rubber nanocomposites. (C) 2017 The Authors. Published by Elsevier Ltd.}, doi = {10.1016/j.carbon.2017.04.068}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Pottammal, Bincy Akkoli and Kumaran, Alaganandam and Suvekbala, Vemparthan and Gopimohan, Rajmohan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {43991, title = {Three in one: prototropy-free highly stable AADD-type self-complementary quadruple hydrogen-bonded molecular duplexes with built-in fluorophore}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {FEB}, type = {Article}, abstract = {This communication reports an effective approach for addressing the prototropy-related problems in heterocycle-based AADD-type self-assembling systems by freezing their hydrogen-bonding codes, by utilizing intramolecular bifurcated hydrogen bonding interactions. Using this strategy, we have also developed a hydroquinone-conjugated AADD-type self-assembling system adorned with three valuable features such as prototropy-free dimerization yielding single duplexes, high duplex stability and a built-in fluorophore, which would augment its application potential. The rational approach used herein to arrest prototropic shift may also find application elsewhere, wherein proton shift-mediated structural changes become a detrimental factor.}, doi = {10.1039/C6CC09478C}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Sanjayan, Gangadhar J.} } @article {45751, title = {Total synthesis of (+/-)-allocolchicine and its analogues using Co-catalyzed alkyne [2}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {SEP}, pages = {5591-5600}, type = {Article}, abstract = {

The total synthesis of (+/-)-allocolchicine has been completed by employing cobalt-catalyzed alkyne [2 + 2 + 2]-cyclotrimerization as the key reaction. The essential diyne has been synthesized from easily available 3,4,5-trimethoxybenzaldehyde following simple chemical transformations. In general, the cycloaddition gave a mixture of C(9) and C(10) isomers thus allowing the synthesis of both allocolchicine and its C(10)-carboxylate. Because this cycloaddition was employed at the penultimate stage, it allowed the synthesis of various analogues having the diverse functionality at C(9) and/or C(10) of ring C.

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b00980}, author = {Paymode, Dinesh J. and Ramana, Chepuri V.} } @article {43531, title = {Total synthesis of natural fregenedadiol and its diacetate, rearranged labdanes with aromatized B ring}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {MAR}, pages = {1262-1264}, abstract = {Labdane based natural products are most abundant and widely distributed in nature with many compounds exhibiting exceptional biological properties. Fregenedadiol is a bicyclic diterpene isolated from Halimium viscosum and represents a new carbon skeleton fregenedane with its B ring aromatized. Here, we report a total synthesis of this interesting natural product using one-pot Diels-Alder/aromatization sequence and selective hydrogenolysis as key steps. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2017.02.010}, author = {Philkhana, Satish Chandra and Reddy, D. Srinivasa} } @article {44117, title = {Total synthesis of propolisbenzofuran B}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {DEC}, pages = {6466-6469}, type = {Article}, abstract = {An efficient synthesis of propolisbenzofuran B, which possesses promising anticancer activity, is reported. The key cyclohexanone framework of this tricyclic natural product has been constructed employing a Rh-catalyzed intramolecular olefin hydroacylation. The requisite key olefin intermediate was synthesized by using gold-catalyzed allenyl ether [1,3] O -> C rearrangement.}, doi = {10.1021/acs.orglett.7b02732}, author = {Srinivas, Kolluru and Ramana, Chepuri V.} } @article {43490, title = {Triazine-based highly stable AADD-type self-complementary quadruple hydrogen-bonded systems devoid of prototropy}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JAN}, pages = {783-787}, abstract = {

A new class of 1,3,5-triazine-based quadruple hydrogen-bonded system featuring AADD-type self-complementary arrays has been developed and characterized. This system forms highly stable molecular duplex in non-polar solvent (K-dim \> 1.9 x 10(7) M-1 in CDCl3) without prototropy-related issues, raising its prospects for application in supramolecular polymer science.

}, doi = {10.1002/chem.201605208}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44149, title = {Two-phase system for the clean and high yield synthesis of furylmethane derivatives over- SO3H functionalized ionic liquids}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {OCT}, pages = {4804-4810}, type = {Article}, abstract = {A new and effective unique two-phase reaction system is investigated for the high yield production of tri(furyl) methane from furfural and furan. This strategy includes the use of an acidic aqueous phase (water + -SO3H functionalized IL) and furan phase, which significantly suppresses polymer formation, thereby increasing the yield of tri(furyl) methane. Furan serves as a reactant as well as an extraction solvent for the recovery of the condensation products. For comparison, different -SO3H functionalized ionic liquids are prepared and their performances evaluated for the condensation of furan and furfural. The ionic liquids with alkyl chain linkers are found to be more effective and acidic than those with imidazolium linked N-sulfonic acids. In addition, an increase in carbon chain length between imidazole/tri-ethylamine/pyridine and -SO3H, increases the catalytic activity of the respective ionic liquids. Among the several prepared ionic liquids, the strongly acidic imidazolium based butylsulfonic acid 6 shows the best activity with a maximum condensation product yield of 84\%. This strategy offers a significantly high yield of the condensation products of furan and furfural compared to the traditional mineral acid route. The activity and stability of the -SO3H functionalized 6 is confirmed from seven successful recycles, in which there is no reduction in its activity. Finally, this new strategy is successfully extended for the condensation of furan derivatives (e. g. furan and 2-methylfuran) with several different aldehydes, ketones and alcohols.}, doi = {10.1039/c7gc01654a}, author = {Shinde, S. H. and Rode, C. V.} } @article {44087, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {DEC}, pages = {14652-14658}, type = {Article}, abstract = {The extent of alloying and the alloy composition, which are crucial in determining the activity and selectivity of bimetallic catalysts, were studied in porous silica encapsulated AgPd catalysts using XRD, HRTEM and HAADF-STEM. Water-dispersible ligand protected Pd ultra-small clusters and Ag nanoparticles of three different sizes were used as the precursors. The high reactivity of Pd ultra-small clusters enhanced the alloying of larger Ag nanoparticles to some extent. Encapsulation appeared to have minimised the sintering of the resultant nanoparticles. The earlier suggestions of the role of d-band positions with respect to adsorption energies holds good for the AgPd system and alloying enhances the activity. Alloy with the composition of Ag50Pd50 was found to be the most active with the reaction rate enhanced two fold compared to that in other compositions. Other factors like particle size and sinter-resistance also played important roles in enhancing the activity of these catalysts.}, doi = {10.1039/c7nj03652c}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {44410, title = {Understanding Ziegler{\textendash}Natta catalysis through your laptop}, journal = {Resonance}, year = {2017}, month = {NOV}, abstract = {This article focuses on the different components that make up Ziegler{\textendash}Natta olefin polymerization systems and shows how investigating the interactions between these components through computational approaches provide crucial information about the chemistry of these systems. Hence, the necessity of theory acting as a counterpoint to experiment is revealed, underlining the importance of computational chemistry in attacking important problems of the day.}, author = {Raj, K. Vipin and Kumar, Vanka} } @article {43814, title = {Water mediated deactivation of Co3O4 naonrods catalyst for CO oxidation and resumption of activity at and above 373 K: electronic structural aspects by NAPPES}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {SEP}, pages = {20296{\textendash}20305}, type = {Journal Article}, chapter = {20296-20305}, abstract = {

The catalytic activity of the Co3O4 nanorods (NRs) for the CO oxidation reaction and the effect of water on the catalytic reaction have been explored with near-ambient pressure photoelectron spectroscopy (NAPPES) and mass spectral analysis. Comparative NAPPES studies have been employed to understand the elucidation of the catalytic reaction pathway and the evolution of various surface species. The results confirm the suppression of the CO oxidation activity on the Co3O4 NRs in the presence of water vapor. Various type of surface species, such as CO(ads), hydroxyl, carbonate, formate, are found to be present on the catalyst surface depending on the reaction conditions. Vibrational features of CO, O-2, and CO, were observed and shift in binding energy of these features under the reaction conditions directly suggests a change in work function of the catalyst surface. Under dry conditions, CO couples with labile 0 atoms to form CO2; however, under wet conditions, CO predominantly interacts with surface OH groups resulting in the formation of carbonate and formate intermediates. In situ studies of oxidation of CO on Co3O4 shows that CO oxidation depends not only on surface Co3+ concentration but also influenced by Co-3/Co{\textquoteright} ratio on the catalyst surface. The carbonate was found to be a reaction inhibitor at room temperature; however, it acts as an active intermediate at 375 K and above. Above the boiling point of water, Co3O4 NR surfaces begin to show the oxidation activity even in the presence of water vapor. The intrinsic role of intermediate species was used to derive a possible reaction mechanism under different reaction conditions.

}, keywords = {Ambinent-temprature, carbon monoxide, Gas Shift, H Activation, In-situ, Low-temprature oxidation, Molecular-beam, Performance enhancement, Ray Photoelectron-Spectroscopyu, Thin-films}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b05480}, author = {Jain, Ruchi and Reddy, Kasala Prabhakar and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {44417, title = {Access to silicon(II)- and germanium(II)-indium compounds}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {APR}, pages = {1206-1213}, abstract = {Despite the remarkable ability of N-heterocyclic silylene to act as a Lewis base and form stable Lewis adducts with group 13 elements such as boron, aluminum, and gallium, there has been no such comparable investigation with indium and the realization of a stable silylene-indium complex has still remained elusive. Similarly, a germylene-indium complex is also presently unknown. We describe herein the reactions of [PhC(NtBu)(2)SiN-(SiMe3)(2)] (1) and [PhC(NtBu)(2)GeN(SiMe3)(2)] (4) with InCl3 and InBr3 that have resulted in the first silylene-indium complexes, [PhC(NtBu)(2)Si{N(SiMe3)(2)}-> InCl3] (2) and [PhC(NtBu)(2)Si{N(SiMe3)(2)}-> InBr3] (3), as well as the first germylene-indium complexes, [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-> InCl3] (5) and [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-> InBr3] (6). The solid-state structures of all species have been validated by single-crystal X-ray diffraction studies. Note that 5 and 6 are the first structurally characterized organometallic compounds that feature a Ge-In single bond (apart from the compounds in Zintl phases). Theoretical calculations reveal that the Si(II)-> In bonds in 2 and 3 and the Ge(II)-> In bonds in 5 and 6 are dative bonds.}, doi = {10.1021/acs.organomet.8b00093}, author = {Pahar, Sanjukta and Karak, Suvendu and Pait, Moumita and Raj, K. Vipin 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 {44422, title = {Analysis of tail-anchored protein translocation pathway in plants}, journal = {Biochemistry and Biophysics Reports }, volume = {14}, year = {2018}, month = {JUL}, pages = {161-167}, abstract = {Tail-anchored (TA) proteins are a special class of membrane proteins that carry out vital functions in all living cells. Targeting mechanisms of TA proteins are investigated as the best example for post-translational protein targeting in yeast. Of the several mechanisms, Guided Entry of Tail-anchored protein (GET) pathway plays a major role in TA protein targeting. Many in silico and in vivo analyses are geared to identify TA proteins and their targeting mechanisms in different systems including Arabidopsis thaliana. Yet, crop plants that grow in specific and/or different conditions are not investigated for the presence of TA proteins and GET pathway. This study majorly investigates GET pathway in two crop plants, Oryza sativa subsp. Indica and Solanum tuberosum, through detailed in silico analysis. 508 and 912 TA proteins are identified in Oryza sativa subsp. Indica and Solanum tuberosum respectively and their localization with respect to endoplasmic reticulum (ER), mitochondria, and chloroplast has been delineated. Similarly, the associated GET proteins are identified (Get1, Get3 and Get4) and their structural inferences are elucidated using homology modelling. Get3 models are based on yeast Get3. The cytoplasmic Get3 from O. sativa is identified to be very similar to yeast Get3 with conserved P-loop and TA binding groove. Three cytoplasmic Get3s are identified for S. tuberosum. Taken together, this is the first study to identify TA proteins and GET components in Oryza sativa subsp. Indica and Solanum tuberosum, forming the basis for any further experimental characterization of TA targeting and GET pathway mechanisms in crop plants. }, doi = {10.1016/j.bbrep.2018.05.001}, author = {Manu, M. S. and Ghosh, Deepanjan and Chaudhari, Bhushan P. and Ramasamy, Sureshkumar} } @article {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 {43958, title = {Bifunctional role of Pd/MMT-K 10 catalyst in direct transformation of furfural to 1,2-pentanediol}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {195-201}, type = {Article}, abstract = {

The acid functionality of montmorillonite clay K 10 (MMT-K 10) was found to play a key role to give 1,2-pentanediol (1,2-PeDO) in Pd catalysed furfural hydrogenation. Among various Pd loadings on MMT-K 10, 3\% Pd/MMT-K 10 catalyst exhibited excellent performance giving almost complete conversion of FFR and the highest selectivity of 66\% to 1,2-PeDO. Py-IR of the catalyst evidenced the presence of Br{\o}nsted acidity which was responsible in C5-O cleavage of furan ring after the formation of furfuryl alcohol which is the first step intermediate in FFR hydrogenation. At a lower temperature of 140 {\textdegree}C, highest selectivity of 56\% was achieved for FAL while increase in temperature to 220 {\textdegree}C, enhanced the selectivity to 1,2-PeDO. Keeping the temperature constant at 220 {\textdegree}C, with increase in H2 pressure from 500 to 750 psig, resulted in decrease in 1,2-PeDO selectivity from 66 to 34\% with proportionate increase in THFAL selectivity. Thus as per the requirement, the product selectivities can be tailored by varying the reaction parameters suitably. Several control experiments were also performed the results of which combined with the characterization data allowed to propose a plausible reaction pathway for the formation of 1,2-PeDO.

}, doi = {10.1016/j.cattod.2017.08.002}, author = {Date, Nandan S. and Chikate, Rajeev C. and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article {44235, title = {Carbon fabric based solar steam generation for waste water treatment}, journal = {Solar Energy}, volume = {159}, year = {2018}, month = {JAN}, pages = {800-810}, type = {Article}, abstract = {

Decontamination of waste water is one of the most practical techniques to tackle the worldwide clean water shortage. In recent times, solar steam based decontamination of contaminated water has been attested as a potential sustainable strategy to get clean water using renewable resources. Herein, we report the utilization of Carbon fabric and Titanium Nanorods on Carbon Fabric for solar steam based water purification techniques. The performance of Carbon Fabric was tested under different conditions and the results proved that Carbon Fabric has excellent light to heat conversion capabilities in both real and ideal conditions. Owing to the excellent performance of Carbon Fabric, it was used for purification of different types of contaminated water. About 99.9\% of salt and 87\% of organic contaminants were removed from saline water and organic waste water respectively, using a simple low cost carbon fabric based homemade prototype. We also present the application of Titanium Nanorods on carbon fabric for the efficient removal of dye molecules like Rhodamine B from contaminated water using solar driven interfacial steam generation mechanism.

}, keywords = {Desalination, Dye degradation, Solar steam, Waste water treatment}, issn = {0038-092X}, doi = {10.1016/j.solener.2017.11.055}, author = {Higgins, M. W. and Rahmaan, Shakeel A. R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Jha, Neetu} } @article {44428, title = {Cascade dehydrative amination of glycerol to oxazoline}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {2954-2965}, abstract = {Transformation of biomass into valuable nitrogen-containing compounds is highly desired, yet less explored. Here, we report a simple and efficient method for the direct conversion of bioglycerol to oxazoline involving glycerol dehydration to acetol followed by its amination using an aqueous solution of ammonia. For the two-step strategy a non-noble metal Cu-Zr catalyst was developed, giving a glycerol to acetol conversion of 78\% followed by amination separately with 95\% selectivity to oxazoline. Moreover, we have demonstrated a single-pot oxazoline synthesis using Ru/C as the most stable catalyst to achieve 95\% selectivity to oxazoline without any leaching. XPS studies revealed the co-existence of multivalent Ru species in different percentages depending on the nature and structure of the support. These multivalent species (RuO2 and RuO3) have a synergistic effect on the activation of the carbonyl group, whereas Ru-0 is an active site for ammonia dissociation. NH3-TPD and Py-IR spectroscopy results also suggest that the presence of relatively moderate acid sites and a higher BrOnsted/Lewis acid ratio in the catalyst promote the selective production of oxazoline. The reaction pathway involves first glycerol dehydration to acetol. In the subsequent step, NH3 is dissociatively adsorbed on the catalyst surface and the imine thus formed is condensed with a second molecule of acetol to obtain oxazoline. The studied catalyst could be recycled successfully without any significant loss of catalytic activity.}, doi = {10.1039/c8cy00185e}, author = {Pandya, R. and Mane, R. and Rode, C. V.} } @article {44638, title = {Cascade synthesis of 5-(Acetoxymethyl) furfural from carbohydrates over Sn-mont catalyst}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {AUG}, pages = {8770-8778}, abstract = {

The 5-(Acetoxymethyl)furfural (AcMF) is emerged as an important alternative for 5-(hydroxymethyl)furfural (HMF). It is also a starting material for those products which are typically prepared from HMF. The growing importance of AcMF encouraged us to prepare it directly from cheap and abundant carbohydrates. The production AcMF from glucose and glucose-like carbohydrates is an exigent assignment, owing to tough isomerisation of glucose to fructose. The Sn-Mont catalyst having a unique combination of Lewis as well as Bronsted acid sites was employed for direct glucose conversion into AcMF. Lewis acid sites of Sn-Mont facilitate the isomerisation of glucose to fructose. At the same time, dehydrative-esterification of fructose to AcMF is catalyzed by Bronsted acid sites of Sn-Mont. Different concentrations of Sn containing Sn-Mont catalysts were by prepared mixing montmorillonite clay with different molar concentration (e.g. 0.1 M-0.4 M) of aqueous solutions of SnCl4 center dot 5H(2)O. AcMF was produced in as high as 43\% yield directly from glucose over Sn-Mont(0.3 M) catalyst owing to its highest acid strength. The efficacy of Sn-Mont(0.3 M) catalyst was also probed for sucrose and fructose that resulted in 53\% and 58\% yield of AcMF, respectively. The critical properties of all the prepared Sn-Mont catalysts were investigated through XRD, BET surface area, ICP-OES, temperature-programmed desorption of NH3 and pyridine-FTIR and XPS techniques.

}, keywords = {5-(Acetoxymethyl)furfural, Bronsted/Lewis acid, carbohydrates, Dehydrative-esterification, Sn-Mont}, issn = {2365-6549}, doi = {10.1002/slct.201802040}, author = {Shinde, Suhas and Deval, Kashmira and Chikate, Rajeev and Rode, Chandrashekhar} } @article {43957, title = {Cascade synthesis of dihydrobenzofuran via claisen rearrangement of allyl aryl ethers using FeCl 3 /MCM-41 catalyst}, journal = {Journal of Saudi Chemical Society}, volume = {22}, year = {2018}, month = {MAY}, pages = {396-404}, type = {Article}, abstract = {

Dihydrobenzofuran as one of the active ingredients of the naturally occurring motif is synthesized by using in situ generation of ortho allyl phenols. Aryl allyl ethers on reacting with catalytic amounts of non noble metal iron (III) chloride supported on MCM-41 under moderate reaction conditions yield dihydrobenzofuran. First step via Claisen rearrangement gives ortho allyl phenol followed by its in situ cyclization to yield dihydrobenzofuran in very good yields. Both Lewis as well as Br{\o}nsted acidity of the catalyst as evidenced by Py-FTIR studies was found to catalyze the cascade synthesis of dihydrobenzofuran. The scope of the present strategy was successfully demonstrated for several substrates with varying electronic effects for the synthesis of corresponding dihydrobenzofuran with high yields in a range of 71-86\%.

}, keywords = {Aryl allyl ether, Claisen rearrangement, Dihydrobenzofuran, Ferric chloride, MCM-41}, issn = {1319-6103}, doi = {10.1016/j.jscs.2017.08.006}, author = {Sakate, Sachin S. and Shinde, Suhas H. and Kasar, Gayatri B. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {45397, title = {Characterization of mineral phosphate solubilizing and plant growth promoting bacteria from termite soil of arid region}, journal = {3 Biotech}, volume = {8}, year = {2018}, month = {OCT}, type = {Article}, abstract = {Five highly efficient phosphate solubilizing bacteria, viz., Pantoea sp. A3, Pantoea sp. A34, Kosakonia sp. A37, Kosakonia sp. B7 and Bacillus sp. AH9 were isolated from termitorial soils of Sanjivani island of southern Maharashtra, India. These isolates were characterized and explored for phosphate solubilization and plant growth promotion. Among these, Bacillus sp. AH9 showed highest phosphate solubilization index (3.5) and solubilization efficiency (250\%) on Pikovskaya agar. Interestingly, Pantoea sp. A34 displayed maximum mineral phosphate solubilization (1072.35mg/L) in liquid medium and during this period the pH dropped to 3.13. All five isolates had highest P solubilization at 48h after inoculation. During mineral phosphate solubilization, both gluconic acid and 2-keto gluconic acid were produced by Kosakonia and Bacillus isolates, while only 2-keto gluconic acid was detected in Pantoea isolates. Highest organic acid (39.07 +/- 0.04g/L) production was envisaged in Bacillus sp. AH9, while Pantoea sp. A34 produced the least amount (13.00 +/- 0.01g/L) of organic acid. Seed bacterization with Pantoea sp. A3 and Kosakonia sp. A37 resulted in 37\% and 53\% increase in root length of tomato seedlings, respectively, while Pantoea sp. A34 and Kosakonia sp. B7 had deleterious effects on root length as well as overall growth of the seedlings. To our knowledge, this is the first report of plant growth promoting potential of microorganisms isolated from termitorial soil of Sanjivani island, which is a drought-prone area. Therefore, such efficient growth promoting P solubilizers can offer an effective solution for sustainable agriculture in arid, dryland farming and drought-prone regions.}, issn = { 2190-572X}, doi = { 10.1007/s13205-018-1488-4}, author = {Chakdar, Hillol and Dastager, Syed G. and Khire, Jayant M. and Rane, Digeshwar and Dharne, Mahesh S.} } @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 {44436, title = {Composite thin film of simultaneously formed carbon and SnO2 QDs for supercapacitance application}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {MAR}, pages = { 8823-8830}, type = {Article}, abstract = {Composite material with uniform size and structure is a critical asset that decides its properties like charge transfer, thermal, photoluminescence, mechanical, etc. and consequently the applications. Here for the first time, we report the concept of flame/combustion at liquid-liquid interface to synthesize in situ, thin film formation of composite consisting of two or more quantum dots. Synthesis of thin films of a composite containing C and SnO2 QDs having particle sizes below 3 nm was successfully done. As compared to a single quantum dots system, the formed composite showed significantly improved specific capacitance due to the synergistic effect arising from strong interaction between C and SnO2 QDs. This was confirmed by XPS, UV visible spectroscopy and photoluminescence spectra. Moreover, it was confirmed that even after 1000 charge/discharge cycles, the interaction between C and Sn remained unaltered; indicating significant stability of capacitance. Some of the advantages of this method include one step, eco-friendly process at ambient conditions. The generality of the method was established by synthesizing C-ZnO and C-TiO2 composite thin film. This new approach can be extended to form many other valuable composite thin films for various applications.}, issn = {1144-0546}, doi = {10.1039/C8NJ00375K}, author = {Jadhav, Aarti and Patil, Sagar and Patil, Kashinath Rangu and Sathaye, Shivaram Dattatray and Rode, Chandrashekhar Vasant} } @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 {44443, title = {Cross-metathesis of biorenewable dioxalates and diols to film-forming degradable polyoxalates}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {JUL}, pages = {1584-1592}, abstract = {Starting from commonly available sugar derivatives, a single step protocol to access a small family of isohexide-dioxalates (2a-c) has been established. The synthetic competence of 2a-c has been demonstrated by subjecting them to condensation polymerization. Quite surprisingly, the proton NMR of poly(isomannide-co-hexane)oxalate revealed a 1:2 ratio between isomannide-dioxalate (2a) and 1,6-hexanediol (3a) in the polymer backbone. This intriguing reactivity was found to be an outcome of a cross metathesis reaction between 2a and 3a. The cross metathesis products 3a[2-(2-methoxyacetoxy)ethyl 2-(2-hydroxyethoxy)-2-(3-oxydanylidene)acetate] and 2a(3R,6R)-6-hydroxyhexahydrofuro[3,2-b]-furan-3-yl methyl oxalate were isolated in a control experiment. Based on direct and indirect evidence, and control experiments, an alternative polymerization mechanism is proposed. Polymerization conditions were optimized to obtain polyoxalates P1(2a-3a)-P9(2c-3c) with molecular weights in the range of 14,000-68,000 g/mol, and narrow polydispersities. The identity of the polyoxalates was unambiguously established using 1-2D NMR spectroscopy, MALDI-ToF-MS, and GPC measurements. The practical implication of these polymers is demonstrated by preparing transparent, mechanically robust films. The environmental footprint of the selected polyoxalates was investigated by subjecting them to solution and solid-state degradation. The polyoxalates were found to be amenable to degradation. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1584-1592}, doi = {10.1002/pola.29043}, author = {Rajput, Bhausaheb S. and Ram, Farsa and Menon, Shamal K. and Shanmuganathan, Kadhiravan and Chikkali, Samir H.} } @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 {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 {44446, title = {Deep learning based data driven soft sensor for bioprocesses}, journal = {Biochemical Engineering Journal}, volume = {136}, year = {2018}, month = {AUG}, pages = {28-39}, type = {Article}, abstract = {

Developing accurate and robust sensors for nonlinear and highly varying systems is a challenge. Deep learning, an advanced technique to learn deep architectures, has become a popular training strategy while dealing with complex problems. In this paper, deep learning has been introduced to develop data driven soft sensors for estimating crucial parameters in two fermentation processes, namely, Streptokinase and Penicillin. Additionally, the performance of the developed soft sensor is compared to an SVR based soft sensor. The results clearly indicate that deep learning is an attractive alternative to traditional techniques for soft sensor modelling as it represents nonlinear systems better, makes full advantage of process data by also incorporating unlabelled data and handles large datasets efficiently. Deep learning proves to be a promising technique for soft sensor modelling in highly data driven complex bioprocesses.

}, doi = {10.1016/j.bej.2018.04.015}, author = {Gopakumar, Vineet and Tiwari, Sarthak and Rahman, Imran} } @article {45398, title = {Determination of the effect of polyamines on an oil-degrading strain of Yarrowia lipolytica using an odc minus mutant}, journal = {Fems Yeast Research }, volume = {18}, year = {2018}, month = {DEC}, pages = {10.1093/femsyr/foy073}, type = {Article }, abstract = {Yarrowia lipolytica is an ascomycetous dimorphic yeast with immense potential for industrial applications, including bioremediation of crude oil-contaminated environments. It has been shown that a dimorphic marine isolate of Y. lipolytica (var. indica) has significant capacity to degrade fatty acids and alkanes, when in its yeast morphology. It has also been demonstrated that polyamines play an important role in the yeast-to-mycelium transition of different strains of Y. lipolytica that are unable to utilize those carbon sources. To determine the role of polyamines on their capacity to utilize oils and hydrocarbons, on the dimorphic transition, and also on other characteristics of the var. indica strain of Y. lipolytica, we proceeded to obtain ornithine decarboxylase minus (odc(-)) mutants. These mutants behaved as yeasts independently of the concentrations of putrescine added. Further, they conserved the oil-degrading capacity of the parent strain. The odc(-) mutant can thus be used in fatty acid degradation, and oil spill remediation with distinct advantages.}, issn = { 1567-1356}, doi = { 10.1093/femsyr/foy073}, author = {Campos-Gongora, E. and Palande, A. S. and Leon-Ramirez, C. and Pathan, E. K. and Ruiz-Herrera, J. and Deshpande, M. V.} } @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 {44629, title = {Effect of sodium dodecyl sulfate surfactant on methane hydrate formation: a molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {122}, year = {2018}, month = {JUN}, pages = {6536-6542}, abstract = {

In experimental studies, it has been observed that the presence of sodium dodecyl sulfate (SDS) significantly increases the kinetics of hydrate formation and the final water-to-hydrate conversion ratio. In this study, we intend to understand the molecular mechanism behind the effect of SDS on the formation of methane hydrate through molecular dynamics simulation. Hydrate formation conditions similar to that of laboratory experiments were chosen to study hydrate growth kinetics in 1 wt \% SDS solution. We also investigate the effect of interactions with isolated SDS molecules on methane hydrate growth. It was observed that the hydrophobic tail part of the SDS molecule favorably interacts with the growing hydrate surface and may occupy the partial hydrate cages while the head groups remain exposed to water.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b02285}, author = {Choudhary, Nilesh and Hande, Vrushali R. and Roy, Sudip and Chakrabarty, Suman and Kumar, Rajnish} } @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 {45432, title = {Effect of turbulent dispersion on hydrodynamic characteristics in a liquid jet ejector}, journal = {Energy}, volume = {164}, year = {2018}, month = {DEC}, pages = {10-20}, type = {Article}, abstract = {Gas induction using a liquid jet is an extensively studied phenomenon. Many studies have been published detailing various hydrodynamic and mass transport aspects of gas induction in ejectors. Conversely, multiple studies have been published detailing jet dynamics, jet break up, nozzle geometry, effects of turbulence etc. In the modelling of the jet ejector systems CFD framework is used as the flow of gas is coupled with the liquid flow and the flow parameters like volume fraction, pressure drop/profile and velocity profiles both local and average are highly interdependent. Hence, it becomes important to capture all the flow physics in the simulations in order to understand the hydrodynamics. In the previous models the effect of turbulent dispersion was not included which led to incorrect calculation of phase profile, and other related parametric values. In the present work, the turbulence effects and its impact on the jet dynamics and gas induction rate in an ejector have been studied. Capturing the correct phase as well as velocity profile is imperative for the extension of the model to mass transfer and reactions. Lastly, other hydrodynamic properties like pressure drop, phase hold up and pressure profile help better the design correlations for jet ejectors.}, issn = {0360-5442}, doi = {10.1016/j.energy.2018.08.171}, author = {Sharma, Deepankar and Patwardhan, Ashwin and Ranade, Vivek} } @article {44388, title = {Efficient method for synthesis of 2,5-furandicarboxylic acid from 5-hydroxymethylfurfural and fructose using Pd/CC catalyst under aqueous conditions}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {6}, year = {2018}, month = {MAY}, pages = {5766-5771}, abstract = {Pd/CC catalyst was synthesized from readily available biomass-derived D-glucose. The catalyst was characterized using various techniques such as Fourier transform infrared spectroscopy, powder X-ray diffraction, energy dispersive X-ray analysis, scanning electron microscopy, C-13 cross polarization NMR, transmission electron microscopy, X-ray photoelectron spectroscopy, and Brunauer-Emmett-Teller (BET) surface area analysis. This catalyst showed excellent catalytic activity toward the synthesis of industrially important 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethylfurfural (HMF) and fructose. The process is simple, efficient, green, and industrially feasible. Oxidation of HMF proceeded in 85\% yield, and dehydration of fructose followed by oxidation gave 64\% yield of FDCA with 100\% purity using Pd/CC catalyst and molecular O-2 as an oxidizing agent under aqueous reaction conditions. The one pot two step procedure is highly efficient for synthesis of FDCA from fructose as it avoids isolation of HMF and requires a single catalyst for two different steps. FDCA finds utility in next-generation bioplastic poly(ethylene 2,5-furandicarboxylate) (PEF), which is a replacement for fossil-fuel-based poly(ethylene terephthalate) (PET).}, doi = {10.1021/acssuschemeng.7b03124}, author = {Rathod, Pramod V. and Jadhav, Vrushali H.} } @article {44462, title = {Efforts to access the potent antitrypanosomal marine natural product janadolide: synthesis of des- tert -butyl janadolide and its biological evaluation}, journal = {ACS Omega}, year = {2018}, month = {FEB}, abstract = {To identify novel antitrypanosomal agents based on Janadolide, a potent macrocyclic polyketide{\textendash}peptide hybrid, a macrolactonization strategy was explored. We prepared des-tert-butyl Janadolide and evaluated its antitrypanosomal activity. Our findings suggest that the tert-butyl group is necessary for the desired bioactivity.}, doi = {10.1021/acsomega.7b01920}, author = {Athawale, Paresh R. and Jachak, Gorakh and Shukla, Anurag and Shanmugam, Dhanasekaran and Reddy, Srinivasa} } @article {44203, title = {Eosin Y photoredox catalyzed net redox neutral reaction for regiospecific annulation to 3-sulfonylindoles via anion oxidation of sodium sulfinate salts}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JAN}, pages = {536-540}, type = {Article}, abstract = {

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

}, issn = {1477-0520}, doi = {10.1039/c7ob02977b}, author = {Rohokale, Rajendra S. and Tambe, Shrikant D. and Kshirsagar, Umesh A.} } @article {45352, title = {Evaluating antimalarial efficacy by tracking glycolysis in Plasmodium falciparum using NMR spectroscopy}, journal = {Scientific Reports}, volume = { 8}, year = {2018}, month = {DEC}, type = {Article}, abstract = {Glucose is an essential nutrient for Plasmodium falciparum and robust glycolytic activity is indicative of viable parasites. Using NMR spectroscopy, we show that P. falciparum infected erythrocytes consume similar to 20 times more glucose, and trophozoites metabolize similar to 6 times more glucose than ring stage parasites. The glycolytic activity, and hence parasite viability, can be measured within a period of 2 h to 5 h, using this method. This facilitates antimalarial bioactivity screening on ring and trophozoite stage parasites, exclusively. We demonstrate this using potent and mechanistically distinct antimalarial compounds such as chloroquine, atovaquone, cladosporin, DDD107498 and artemisinin. Our findings indicate that ring stage parasites are inherently more tolerant to antimalarial inhibitors, a feature which may facilitate emergence of drug resistance. Thus, there is a need to discover novel antimalarial compounds, which are potent and fast acting against ring stage parasites. The NMR method reported here can facilitate the identification of such molecules.}, issn = {2045-2322}, doi = {10.1038/s41598-018-36197-3}, author = {Shivapurkar, Rupali and Hingamire, Tejashri and Kulkarni, Akshay S. and Rajamohanan, P. R. and Reddy, D. Srinivasa and Shanmugam, Dhanasekaran} } @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 {45405, title = {Experimental and theoretical investigations of different diketopyrrolopyrrole-based polymers}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {SEP}, pages = {11710-11717}, type = {Article}, abstract = {Diketopyrrolopyrrole (DPP)-based polymers are often considered las the most promising donor moiety in traditional bulk heterojunction solar cell devices. In this paper, we report the synthesis, characterization of various DPP-based copolymers with different molecular weights, l and polydisper sity where other aromatic repeating units (phenyl or thiophene based) are connected by alternate double bonds or triple bonds. Some of the copolymers were used for device fabrication and the crucial parameters such as fill factor (FF) and open circuit voltage (V-oc) were calculated. The density functional theory was used to optimize the geometries and deduce highest occupied molecular orbital lowest unoccupied molecular orbital gaps of all the polymers and{\textquoteright}theoretically predict their optical and electronic properties. Optical properties of all the polymers, electrochemical properties and band gaps were also obtained experimentally and compared with the theoretically predicted values.}, doi = {10.1021/acsomega.8b01132}, author = {Murugan, Pachaiyappan and Raghavendra, Venkatraman. and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam and Mandal, Asit Baran and Subramanian, Venkatesan and Samanta, Debasis} } @article {44614, title = {Facile, environmentally benign and scalable approach to produce pristine few layers graphene suitable for preparing biocompatible polymer nanocomposites}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {JUL}, pages = {11228}, abstract = {

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

}, issn = {2045-2322}, doi = {10.1038/s41598-018-28560-1}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Kumaran, Alaganandam and Vadivelu, Prabha and Suvekbala, Vemparthan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {44359, title = {Facile one-pot multicomponent synthesis and molecular docking studies of steroidal oxazole/thiazole derivatives with effective antimicrobial, antibiofilm and hemolytic properties}, journal = {Steroids}, volume = {134}, year = {2018}, month = {JUN}, pages = {22-36}, type = {Article}, abstract = {A series of steroidal oxazole and thiazole derivatives have been synthesized employing thiosemicarbazide/semicarbazide hydrochloride and ethyl 2-chloroacetoacetate with a simple and facile one-pot multicomponent reaction pathway. The antimicrobial activity of newly synthesized compounds were evaluated against four bacterial strains namely Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive bacteria (Staphylococcus aureus and Listeria monocytogenes) in addition to pathogenic fungi (Candida albicans and Cryptococcus neofonnans). Bioactivity assay manifested that most of the compounds exhibited good antimicrobial activity. To provide additional insight into antimicrobial activity, the compounds were also tested for their antibiofilm activity against S. aureus biofilm. Moreover, molecular docking study shows binding of compounds with amino acid residues of DNA gyrase and glucosamine-6-phosphate synthase (promising antimicrobial target) through hydrogen bonding interactions. Hemolytic activity have been also investigated to ascertain the effect of compounds over RBC lysis and results indicate good prospects for biocompatibility. The expedient synthesis of steroidal heterocycles, effective antibacterial and antifungal behavior against various clinically relevant human pathogens, promising biocompatibility offer opportunities for further modification and potential applications as therapeutic agents.}, doi = {10.1016/j.steroids.2018.04.003}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Rauf, Mohd Ahmar and Owais, Mohammad and Shamsuzzaman} } @article {45497, title = {Flexible and free-standing reduced graphene oxide thick films with PMMA stabilized silver nanoparticles, as a potential probe for cancer thermal therapy}, journal = {Biomedical physics and engineering express}, volume = {4}, year = {2018}, month = {OCT }, pages = {65032}, type = {Article }, abstract = {hermal therapy is an efficient, cost-effective method for treating different types of cancers and hence flexible, light weight, biocompatible heating materials with low power consumption are of utmost importance. Partially reduced flexible, robust and bio-compatible thick graphene oxide films with, mostly edge functionalized Polymethyl methacrylate (PMMA) and in situ grown silver nanoparticles were prepared using simple soak and dry strategy. Larger distribution of silver nanoparticles with a mean diameter of 2.5 nm were anchored towards the edges of these thick films. The electrothermal (Joule heating) performance were found to increase in the presence of silver nanoparticles due to decrease in sheet resistance (0.33 {\texttimes} 104 Ωm) and increase in electron-phonon interaction. These free-standing, flexible films exhibited stable Joule heating behavior under repeated voltage on/off cycles. In-vitro studies performed on breast cancer cells in the presence of the prepared films, with an external applied voltage of 10 VDC, shows 67\% cell death. This work proves the potentiality of thick heterogeneous (partially) reduced graphene oxide films towards site specific destruction of solid tumors by utilizing its Joule heating properties.}, doi = {10.1088/2057-1976/aae90c}, author = {Asha, S. and Nimrodh Ananth, A. and Jose, S. P. and Rajan, M. A. J.} } @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 {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 {44478, title = {Friedel{\textendash}crafts alkylation over Zr-mont catalyst for the production of diesel fuel precursors}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {MAY}, pages = {5491{\textendash}5501}, type = {Article}, abstract = {Heterogeneous Zr-Mont catalyst prepared by a simple protocol was employed for the production of diesel fuel precursors via Friedel{\textendash}Crafts (FC) alkylation of petroleum-derived arenes (e.g., mesitylene, xylene, and toluene) with biomass-derived 5-(hydroxymethyl)furfural (HMF), HMF derivatives, and carbohydrates. Initially, several acidic catalysts were screened for the FC alkylation of mesitylene with HMF in nitroethane solvent. Among all, Zr-Mont catalyst gave an exceptionally high yield (80\%) of mesitylmethylfurfural (MMF). The catalytic activity of Zr-Mont was also evaluated for the alkylation of different petroleum-derived arenes with ester/halogen derivatives of HMF. Suitable acid strength and high surface area of Zr-Mont were its major attributes to make it the most efficient solid acid catalyst for this FC reaction. Even after several reuses, the catalytic activity of Zr-Mont was found to be consistent, which was also evidenced by the acidity measurements of fresh and reused Zr-Mont catalysts by temperature-programmed desorption of ammonia and pyridine Fourier transform infrared spectroscopy techniques. Direct conversion of glucose to diesel fuel precursors was also attempted over Zr-Mont catalyst in mesitylene and polar nonacidic solvents at 150 {\textdegree}C. However, the activity of Zr-Mont catalyst was limited for glucose dehydration to HMF and MMF did not form. When the same experiment was performed in formic acid medium, MMF was produced in 34\% yield. After the addition of formic acid, the reaction becomes biphasic which contains mesitylene as an organic phase and formic acid as an aqueous phase. Formic acid worked as a solvent, reactant, and cocatalyst, whereas mesitylene worked as a reactant and product extraction phase to enable easy product isolation. With this strategy, other diesel fuel precursors were also produced in 26{\textendash}30\% yields from glucose and different arenes. Similar strategy was successfully extended for the conversion of sucrose to diesel fuel precursors.}, doi = {10.1021/acsomega.8b00560}, author = {Shinde, Suhas and Rode, Chandrashekhar Vasant} } @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 {44345, title = { Functionalized carbon nanotube reinforced polymer nanocomposite microcapsules with enhanced stiffness}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {550}, year = {2018}, month = {AUG}, pages = {82-89}, type = {Article}, abstract = {Microcapsules with tunable mechanical properties are highly desirable in pressure sensitive applications. We report here a facile approach to prepare polyurea/multiwall carbon nanotube (MWCNTs) nanocomposite microcapsules (MICs) with enhanced stiffness. A model compound dimethyl phthalate (DMP) was used as core material. MWCNTs were modified with reactive functional groups namely carboxyl (-COOH), amines (-NH2), and isocyanates (-NCO) to ensure a stronger interface between polymer wall and MWCNTs. Functionalization of MWCNTs was corroborated by Fourier transformed infrared spectroscopy (FTIR). Scanning electron microscopy (SEM) was employed to study the surface morphology of MICs. The presence of MWCNTs in the microcapsule wall was confirmed by transmission electron microscopy (TEM). MICs with functionalized MWCNTs show almost 100\% increase in stiffness with respect to pristine capsules. All MICs show 92-97 +/- 1\% encapsulation efficiency. The approach used in this paper can be broadly utilized to tune the mechanical properties of the microcapsules.}, doi = {10.1016/j.colsurfa.2018.04.028}, author = {Jagtap, Siddheshwar B. and Patil, Vishal D. and Suresh, Karthika and Ram, Farsa and Mohan, Muthu Subramanian and Rajput, Shatruhan S. and Patil, Shivprasad and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @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 {44489, title = {G-quadruplex motif at the 3{\textquoteright} end of sgRNAs improves CRISPR-Cas9 based genome editing efficiency}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAR}, pages = {2377-2380}, abstract = {Originating as a component of prokaryotic adaptive immunity, the type II CRISPR/Cas9 system has been repurposed for targeted genome editing in various organisms. Although Cas9 can bind and cleave DNA efficiently under in vitro conditions, its activity inside a cell can vary dramatically between targets owing to differences between genomic loci and availability of enough Cas9/sgRNA (single guide RNA) complex molecules for cleavage. Most methods to improve CRISPR/Cas9 activity have so far relied on Cas9 protein engineering or base modifications in the sgRNA sequence. Here we demonstrate that a structure based rational design of sgRNAs can enhance the efficiency of Cas9 cleavage in vivo. By appending a naturally forming RNA G-quadruplex motif to the 3' end of sgRNAs we can improve its stability and target cleavage efficiency in zebrafish embryos without inducing off-target activity, thereby underscoring its value in the design of better and optimized genome editing triggers.}, issn = {1359-7345}, doi = {10.1039/C7CC08893K}, author = {Nahar, Smita and Sehgal, Paras and Azhar, Mohammad and Rai, Manish and Singh, Amrita and Sivasubbu, Sridhar and Chakraborty, Debojyoti and Maiti, Souvik} } @article {45455, title = {Harnessing nucleophilicity of allenol ester with p-quinone methides via gold catalysis: application to the synthesis of diarylmethine-substituted enones}, journal = {Journal of Organic Chemistry}, volume = {83 }, year = {2018}, month = {AUG}, pages = {9353-9363}, type = {Article}, abstract = {A gold(I)-catalyzed protocol for intermolecular 1,6-conjugate addition of nucleophilic allenol ester generated in situ through [3,3]-sigmatropic rearrangement with p-quinone methides (p-QMs) has been developed. The gold catalyst plays a dual role by the pi-acid-triggered activation of alkynes and at the same time as a Lewis acid for activation of p-QMs toward nucleophilic attack. This method enables rapid access to a wide range of densely functionalized diarylmethine-substituted enones, a Morita-Baylis-Hillman (MBH) product with high selectivity, excellent yields, and broad substrate scope.}, doi = {10.1021/acs.joc.8b01294}, author = {Sharma, Brijesh M. and Rathod, Jayant and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44493, title = {High and reversible lithium ion storage in self-exfoliated triazole-triformyl phloroglucinol-basedcovalent organic nanosheets}, journal = {Advanced Energy Materials}, volume = {8}, year = {2018}, month = {MAR}, pages = {Article Number: 1702170}, abstract = {Covalent organic framework (COF) can grow into self-exfoliated nanosheets. Their graphene/graphite resembling microtexture and nanostructure suits electrochemical applications. Here, covalent organic nanosheets (CON) with nanopores lined with triazole and phloroglucinol units, neither of which binds lithium strongly, and its potential as an anode in Li-ion battery are presented. Their fibrous texture enables facile amalgamation as a coin-cell anode, which exhibits exceptionally high specific capacity of approximate to 720 mA h g(-1) (@100 mA g(-1)). Its capacity is retained even after 1000 cycles. Increasing the current density from 100 mA g(-1) to 1 A g(-1) causes the specific capacity to drop only by 20\%, which is the lowest among all high-performing anodic COFs. The majority of the lithium insertion follows an ultrafast diffusion-controlled intercalation (diffusion coefficient, D-Li(+) = 5.48 x 10(-11) cm(2) s(-1)). The absence of strong Li-framework bonds in the density functional theory (DFT) optimized structure supports this reversible intercalation. The discrete monomer of the CON shows a specific capacity of only 140 mA h g(-1) @50 mA g(-1) and no sign of lithium intercalation reveals the crucial role played by the polymeric structure of the CON in this intercalation-assisted conductivity. The potentials mapped using DFT suggest a substantial electronic driving-force for the lithium intercalation. The findings underscore the potential of the designer CON as anode material for Li-ion batteries.}, doi = {10.1002/aenm.201702170}, author = {Haldar, Sattwick and Roy, Kingshuk and Nandi, Shyamapada and Chakraborty, Debanjan and Puthusseri, Dhanya and Gawli, Yogesh and Ogale, Satishchandra and Vaidhyanathan, Ramanathan} } @article {44634, title = {High surface area nanoporous carbon derived from high quality jute from Bangladesh}, journal = {Materials Chemistry and Physics}, volume = {216}, year = {2018}, month = {SEP}, pages = {491-495}, type = {Article}, abstract = {

We report an economically viable and environment-friendly strategy for the preparation of nanoporous carbon (NC) from jute which is one of the most abundant natural fibers produced in Bangladesh and some South Asian countries. Nitrogen adsorption-desorption isotherms, X-ray diffraction, Raman spectroscopy, UV spectroscopy, and scanning/transmission electron microscopy were performed to characterize the obtained NC. Three different types of jute-derived NCs have been synthesized at three different temperatures, 700 degrees C, 800 degrees C and 900 degrees C. The NC prepared at 800 degrees C resulted in a high surface area (981 m(2) g(-2)) and was associated with the retention of the original fibrous shapes. This study shows a promising future for jute as a natural precursor for NCs for a myriad of applications ranging from water purification to gas separation to energy conversion and storage.

}, keywords = {Adsorbents, Graphitization, Jute, Nanoporous carbons, porous materials}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2018.05.082}, author = {Khan, Junayet Hossain and Lin, Jianjian and Young, Christine and Matsagar, Babasaheb M. and Wu, Kevin C. W. and Dhepe, Paresh L. and Islam, Md Tofazzal and Rahman, Md Mahbubur and Shrestha, Lok Kumar and Alshehri, Saad M. and Ahamad, Tansir and Salunkhe, Rahul R. and Kumar, Nanjundan Ashok and Martin, Darren J. and Yamauchi, Yusuke and Hossain, Md Shahriar A.} } @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 {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 {44350, title = {Hydrothermally synthesized fluorescent Zn2SnO4 nanoparticles for dye sensitized solar cells}, journal = {Dyes and Pigments}, volume = {154}, year = {2018}, month = {JUL}, pages = {303-313}, type = {Article}, abstract = {In this work, we have investigated the interaction of hydrothermally synthesized Zn2SnO4 (ZTO) nanoparticles (NPs) with two different commercial photo sensitizers such as N719 and N3 dye molecules and studied their performance in dye sensitized solar cells (DSSC). Interestingly, the ZTO NPs exhibited band edge emission in the mid UVA region and as a result possibility of enhanced light harvesting in the terminal UVA region was anticipated in the device due to the efficient energy transfer observed in case of the sensitizer N719 than N3. The dye sensitization property has been found to be higher for the N3 dye molecules than the N719 dye molecules as based on the time dependent dye loading study. The devices fabricated with ZTO-N719 exhibited improved photovoltaic performance compared to the ZTO-N3 based devices exhibiting an overall conversion efficiency of 2.56\% by the former compared to the later (1.90\%) under 1SUN 1.5AM illumination and sensitization for 12 h.}, doi = {10.1016/j.dyepig.2017.12.066}, author = {Das, Partha Pratim and Roy, Anurag and Agarkar, Shruti and Devi, Parukuttyamma Sujatha} } @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} } @article {44641, title = {Improved nonenzymatic glucose sensing properties of Pd/MnO2 nanosheets: synthesis by facile microwave-assisted route and theoretical insight from quantum simulations}, journal = {Journal of Physical Chemistry B}, volume = {122}, year = {2018}, month = {AUG}, pages = {7636-7646}, abstract = {

The electrocatalytic properties of manganese oxide (MnO2) can be improved significantly by making hybrids/composites with noble metals (Au, Pd). Here, efforts have been made to synthesize the MnO2/Au and MnO2/Pd nanocomposites by a facile, rapid microwave irradiation method. The products characterized by X-ray diffraction and transmission electron microscopy exhibited their tetragonal phase and nanosheet morphology. The efficiency of the prepared composite materials as glucose sensor was tested by cyclic voltammetry and chronoamperometry measurements, and the results are discussed. The study revealed that successful modification of MnO2 by Pd led to excellent sensing performance by the reduction of size and the synergistic effect between MnO2 and PdO, which expedites the electron transfer. Besides, the wide detection range, good selectivity, and stability demonstrate its robustness in the design of electrochemical sensor platform. To get theoretical insight into the excellent sensing performance of MnO2/Pd, we have performed detailed density functional theory simulations to explore the charge transfer and bonding mechanism of glucose on MnO2 and Pd/Au-doped MnO2 surface. Pd is bonded strongly on MnO2 and makes MnO2/Pd more conducting due to the enhancement of density of states near Fermi level. The higher binding energy of glucose and enhanced charge transfer from glucose to Pd-doped MnO2 compared to bare MnO2 infer that Pd-doped MnO2 possess superior charge-transfer kinetics, resulting in higher glucose sensing performance, which supports our experimental observations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b01611}, author = {Ponnusamy, Rajeswari and Gangan, Abhijeet and Chakraborty, Brahmananda and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {44499, title = {Improved performance and reproducibility of perovskite solar cells by jointly tuning the hole transport layer and the perovskite layer deposition}, journal = {Journal of Materials Science Materials in Electronics}, year = {2018}, month = {MAY}, pages = {1-10}, abstract = {Solution processed organometal trihalide materials spur tremendous attention due to their unprecedented performance in photovoltaic applications. However, submicron thick perovskite films are prone to morphological defects in the form of cracks, pinholes and porosity; the traits originated from their solution phase processing and subsequent crystallization. Moreover, pinholes and cracks in the thin film of spincoated Spiro-OMeTAD hole transport layer reduce the performance reliability by forming micro shorts and weaken the defense against moisture ingress to the perovskite layer. For the large scale processing of perovskite solar cell from the economically prudent solution phase processing, morphological shortcomings of both perovskite and hole transport layers need an urgent address. By selecting non-conventional lead precursor (lead acetate) and implementing anti-solvent treatment during film deposition, we able to form pinhole free and compact perovskite film. Crack free hole conducting layer is obtained by blending Spiro-OMeTAD with a conducting polymer without compromising in the solar cell performance. A detail investigation of the charge transport and charge extraction properties of the developed hole transport layers have been carried out. The developed CH3NH3PbI3 based perovskite solar cells show improved repeatability and performance.}, doi = {10.1007/s10854-018-9382-8}, author = {Sharma, Ashish and Rath, Arup K.} } @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.} } @inbook {45573, title = {In vitro approaches for the improvement of eucalyptus}, booktitle = {Biotechnologies of Crop Improvement}, volume = {1}, year = {2018}, pages = {159-214}, publisher = {Springer }, organization = {Springer }, address = {Switzerland}, abstract = {

Eucalyptus is an economically important hardwood tree. The ever-increasing demand for Eucalyptus wood for industrial uses has necessitated better and faster methods of propagation of genetically superior trees with better qualities. Micropropagation has been considered as a potential method for the mass propagation of mature, difficult-to-propagate/difficult-to-root trees and natural hybrids resulting in the production of quality propagules for plantation forestry, afforestation programmes, etc. In vitro culture of Eucalyptus dates back to the 1960s with successful culture of juvenile tissue and eventually with mature tree-derived explants in the last few decades. Although mass propagation through axillary meristem proliferation has witnessed the success, the full potential of organogenesis and somatic embryogenesis is yet to be realized. These modes will have the wider application like cryopreservation, synseed development, somaclonal variation and genetic transformation. Clonal propagation of Eucalyptus is a commercial reality being practiced for large-scale multiplication of identified, superior clones and their field planting. The great potential of micropropagation for large-scale plant multiplication can be tapped by cutting down the cost of production per plant by reducing the unit cost of micropropagule and plant production without compromising the quality. With the ever increased rate in which the forest cover is getting disappeared from the earth, it is an urgent call to restore at least a few percentage of the lost plantation to avoid severe climatic changes.

}, isbn = {978-3-319-78282-9}, doi = {//doi.org/10.1007/978-3-319-78283-6}, author = {Kendurkar, S. V. and Rangaswamy, M.} } @article {44504, title = {Influence of silver nanoparticles morphologies on density, viscosity and thermal conductivity of silver nanofluids and silver ionanofluids}, journal = {Journal of Nanofluids}, volume = {7}, year = {2018}, month = {APR}, pages = {246-257}, abstract = {This paper explores the consequence of silver nanoparticles morphology (nanowires, nanoplates, and nanospheres) on density, viscosity and thermal conductivity of nanofluids and IoNanoFluids. Nuclear magnetic resonance spectroscopy results reveal that hydroxyl group in cation relates to silver nanoparticle surface of silver IoNanoFluid. Effect on bonding of silver nanoparticles after solvation in an ionic liquid was investigated with Infrared spectroscopy. UV-Visible spectroscopy analysis observed variations in color and optical properties of silver IoNanoFluids compared with nanofluids. Structural and morphological characterization of silver nanofluids and silver IoNanoFluids were carried out with Scanning electron microscopy and Transmission electron microscopy techniques. The presence of silver nanoparticles from the aqueous phase of nanofluids to viscous ionic liquid phase was confirmed by X-ray photoelectron spectroscopy and Energy dispersive analysis. The thermal stability study unveils that Choline bis(trifluromethylsulfonyl)imide ionic liquid, and its derived silver IoNanoFluids, are more stable than silver nanofluids. There was no considerable impact was observed for the silver nanoparticles morphology on the density of IoNanofluids. Moreover, two-dimensional silver structures raise the viscosity further compare to other two morphologies of silver nanoparticles in a base ionic liquid. Among all three studied morphologies, silver nanowires influence additional in the enhancement of thermal conductivity for silver nanofluids and IoNanoFluids. Enhanced thermal conductivity and reduced viscosity of silver nanowires based IoNanoFluid sorts this fluid as a potential heat transfer fluid.}, doi = {10.1166/jon.2018.1451}, author = {Patil, Virendra Sudam and Andry, Cera-Manjarres and Salavera, Daniel and Rode, Chandrashekhar Vasant and Patil, Kashinath R and Coronas, Alberto} } @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 {44508, title = {Integrated host-pathogen metabolic reconstructions}, journal = {Methods in Molecular Biology}, volume = {1716}, year = {2018}, month = {JAN}, pages = {197-217}, abstract = {The science and art of Genome scale metabolic network reconstructions have been explicitly documented in the literature for organisms across all the three kingdoms of life. Constraints-based models derived from such reconstructions have been used to assess metabolic phenotypes of their complex connections to genotype accurately. The problem of infectious disease is complex due to the multifactorial response of the host to the pathogen. Systems biology approaches and modeling allow one to study, understand, and predict emergent properties of such complex responses. The integration of the host and pathogen metabolic networks and the subsequent merger of their stoichiometric matrices is nontrivial and requires understanding of both pathogen and host metabolism and physiologies. The protocol here describes the detailed process of network and stoichiometric matrix merger using a salmonella-mouse macrophage model. The protocol also discusses the interfacial and objective functions required to actually embark on the analysis of host-pathogen interaction models.}, doi = {10.1007/978-1-4939-7528-0_9}, author = {Raghunathan, Anu and Jamshidi, Neema} } @article {44397, title = {Integrated production of diesel fuel precursors from carbohydrates and 2-methylfuran over Sn-mont catalyst}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {APR}, pages = {4039-4046}, abstract = {A TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64-94\% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C-N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.}, doi = {10.1002/slct.201800694}, author = {Shinde, Suhas H. and Rode, Chandrashekhar V.} } @article {44220, title = {Integrative analysis of rewired central metabolism in temozolomide resistant cells}, journal = {Biochemical and Biophysical Research Communications}, volume = {495}, year = {2018}, month = {JAN}, pages = {2010-2016}, type = {Article}, abstract = {

An authenticated U87MG clonal glioblastoma cell line was investigated to identify a sub-population of neurospheroidal (NSP) cells within the main epithelial population (U87MG). The NSP cells sorted using Fluorescence Assisted Cell Sorting (FACS) showed varied morphology, 30\% lower growth rates, 40\% higher IC50 values for temozolomide drug and could differentiate into the glial cell type (NDx). Metabolite profiling using HR-LCMS identified glucose, glutamine and serine in both populations and tryptophan only in U87MG as growth limiting substrates. Glycine, alanine, glutamate and proline were secreted by U87MG, however proline and glycine were re-utilized in NSP. Exo-metabolite profiling and phenotypic microarrays identified differential metabolism of primary carbon sources glucose and derived pyruvate for U87MG; glutamine and derived glutamate metabolism in NSP. Differential mRNA abundance of AKT1, PTEN, PIK3CA controlling metabolism, drug efflux, nutrient transport and epigenetic control MDM2 are potentially critical in shaping DNA methylation effects of temozolomide. Our study provides a new insight into the combined effect of these factors leading to temozolomide resistance in NSP. (C) 2017 Elsevier Inc. All rights reserved.

}, keywords = {Glutamine, Metabolic rewiring, Metabolite profiling, mRNA abundances, Temozolomide resistance, U87MG}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2017.12.073}, author = {Immanuel, Selva Rupa C. and Ghanate, Avinash D. and Parmar, Dharmeshkumar S. and Marriage, Fiona and Panchagnula, Venkateswarlu and Day, Nap J. and Raghunathan, Anu} } @article {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 {44396, title = {Ion pairing in 1-butyl-3-methylpyridinium halide ionic liquids studied using NMR and DFT calculations}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {APR}, pages = {11470-11480}, abstract = {We present the H-1, C-13 and N-15 NMR chemical shifts of bulk ionic liquids based on 1-butyl-3-methylimidazolium (the cation also known as 1-butyl-3-picolinium) halides (Cl-, Br- and I-) and tribromide (Br-3(-)) salts. A characterization in solution of the analogous ICl2- and I-3(-) salts is also reported. A series of DFT calculations has been run to predict the features of the NMR spectra of the pure ILs based on a few selected supramolecular ionic aggregates. To test the effect of temperature, and vibrational and conformational motions, only for the chloride salt, we also run first-principles molecular dynamics simulations of the ion pair in the gas phase, using the ADMP scheme (Atom Centered Density Matrix Propagation molecular dynamics model). The aim of our investigation is to test whether a simple DFT based approach of ion-pairing in ionic liquids is capable of providing reliable results and under which conditions the protocol is robust. We obtained a very good agreement between the calculated and experimental spectra for the three halides, where the bulk structure of the ILs is dominated by H-bond interactions between the X- anion (X = Cl, Br and I) and the ortho protons of the pyridinium ring (a structural arrangement not too different from the solid-state structure of pyridinium halides). In contrast, when the H-bond is weak, as in the Br-3(-) case, a number of supramolecular arrangements exist in solution and the simple DFT calculations of a few selected cases cannot exhaustively explore the complete energy landscape. Moreover, the dynamic effects due to thermal motion, evaluated by ADMP MD simulations of the chloride salt, appear to be not very significant.}, doi = {10.1039/c8cp01557k}, author = {Swamy, Vincent P. and Thulasiram, Hirekodathakallu V. and Rastrelli, Federico and Saielli, Giacomo} } @article {44511, title = {Iron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {MAR }, pages = {4430-4439}, abstract = {

Earth abundant, first row transition metals offer a cheap and sustainable alternative to the rare and precious metals. However, utilization of first row metals in catalysis requires harsh reaction conditions, suffers from limited activity, and fails to tolerate functional groups. Reported here is a highly efficient iron catalyzed hydroformylation of alkenes under mild conditions. This protocol operates at 10-30 bar syngas pressure below 100 degrees C, utilizes readily available ligands, and applies to an array of olefins. Thus, the iron precursor [HFe(CO)(4)](-)[Ph3PNPPh3](+) (1) in the presence of triphenyl phosphine catalyzes the hydroformylation of 1-hexene (S2), 1-octene (S1), 1-decene (S3), 1-dodecene (S4), 1-octadecene (S5), trimethoxy(vinyl)silane (S6), trimethyl(vinyl)silane (S7), cardanol (S8), 2,3-dihydrofuran (S9), allyl malonic acid (S10), styrene (S11), 4-methylstyrene (S12), 4-iBu-styrene (S13), 4-tBu-styrene (S14), 4-methoxy styrene (S15), 4-acetoxy styrene (S16), 4-bromo styrene (S17), 4-chloro styrene (S18), 4-vinylbenzonitrile (S19), 4-vinylbenzoic acid (S20), and allyl benzene (S21) to corresponding aldehydes in good to excellent yields. Both electron donating and electron withdrawing substituents could be tolerated and excellent conversions were obtained for S11-S20. Remarkably, the addition of 1 mol \% acetic acid promotes the reaction to completion within 16-24 h. Detailed mechanistic investigations revealed in situ formation of an iron-dihydride complex [H2Fe(CO)(2)(PPh3)(2)] (A) as an active catalytic species. This finding was further supported by cyclic voltammetry investigations and intermediacy of an Fe(0)-Fe(II) species was established. Combined experimental and computational investigations support the existence of an iron-dihydride as the catalyst resting state, which then follows a Fe(II) based catalytic cycle to produce aldehyde.

}, issn = {0002-7863}, doi = {10.1021/jacs.8b01286}, author = {Pandey, Swechchha and Raj, K. Vipin and Shinde, Dinesh R. and Vanka, Kumar and Kashyap, Varchaswal and Kurungot, Sreekumar and Vinod, C. P. and Chikkali, Samir H.} } @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 {45490, title = {Layered TiO2 nanosheet-supported NiCo2O4 nanoparticles as bifunctional electrocatalyst for overall water splitting }, journal = {ChemElectroChem}, volume = {5}, year = {2018}, month = {DEC}, pages = {4000-4007}, type = {Article}, abstract = {Exploring the generation of efficient and long-lasting bifunctional electrocatalysts obtained from low-cost transition metal oxides is crucial to the optimal production of hydrogen and oxygen by electrocatalytic water splitting. This study aims to demonstrate the applicability of layered TiO2 nanosheets as support for designing electrocatalysts. We have demonstrated the performance by decorating the TiO2 support with NiCo2O4 nanoparticles (NiCo2O4/TiO2) as catalysts for electrocatalytic overall water splitting. Moreover, the corrosion effect of usually used carbon-based supporting materials can decrease the working efficiency and, thus, the overall performance of the catalysts. In this aspect, TiO2 can be a better alternative to carbon-based systems. Layered TiO2 was synthesized at room temperature, and a simple heat treatment protocol was employed for the large-scale synthesis of NiCo2O4/TiO2. TiO2 facilitated the formation of smaller NiCo2O4 nanoparticles, also improving the dispersion. This bifunctional electrocatalyst exhibits high OER and HER performance with a low overpotential of 309 mV and 185 mV respectively, at a current density of 10 mA cm-2. TiO2 supported catalyst also exhibits other advantages like remarkable durability in the alkaline medium along with high turnover frequency (TOF) values. This inexpensive catalyst can deliver a current density of 10 mA cm-2 at only 1.64 V with a steady performance for more than 12 h for overall water splitting. Thus, this homemade system provides a proficient and low-cost alternative to the more expensive systems such as RuO2, IrO2 or Pt for the electrochemical water splitting applications.}, doi = {10.1002/celc.201801107}, author = {Raji, Vadakkekara and Rajith, Illathvalappil and Sreekumar, Kurungot} } @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 {44378, title = {Ligand/additive/base-free C(sp(2))-H activation and isocyanide insertion in PEG-400: synthesis of indolizine/imidazoline-fused heterocycles}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {4581-4585}, abstract = {A ligand/base/metal oxidant free Pd-catalyzed C(sp(2))-H activation, followed by isocyanide insertion to synthesize indolizine/imidazoline fused heterocyclics in PEG-400 as a recyclable solvent. The present transformation is greener and an efficient strategy using oxygen as external oxidant. The spectroscopic properties of selected indolizine/imidazoline fused heterocyclics were studied by UV-visible and fluorescence spectroscopy.}, doi = {10.1002/slct.201800397}, author = {Kumar, K. Shiva and Rajesham, Bandari and Kumar, N. Praveen and Ramulu, Meesa Siddi and Dandela, Rambabu} } @article {45423, title = {Mapping valence band and interface electronic structure changes during the oxidation of Mo to MoO3 via MoO2 and MoO3 reduction to MoO2: A NAPPES study}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {OCT}, pages = {23034-23044}, type = {Article}, abstract = {

Tuning the surface energetics, especially work function (phi) of the materials, is of a great deal of interest for a wide range of surface- and interface-based devices and applications. How the phi of a solid surface changes under the reaction conditions is of paramount interest to the chemists, particularly in the areas of surface dependent phenomena such as, catalysis and electrochemistry. In the present study, by using the valence band and core-level photoelectron spectroscopy, surface-electronic changes from Mo to MoO3 via MoO2 was studied under relevant near-ambient pressure (NAP) and high temperature conditions. A very significant change in phi from Mo to MoO3 was observed and it is well corroborated with the changes in gas-phase vibrational features of O-2 in both near-ambient pressure ultraviolet photoelectron spectra (NAPUPS) as well in NAP X-ray photoelectron spectroscopy. Reversible changes in the electronic structure is observed when MoO3 was reduced in H-2 to MoO2. On the basis of the extent of oxidation/reduction of MoOx NAPUPS has shown, one or two additional peaks in the band gap at 0.6 and 1.6 eV below the Fermi level. Mo5+ features are identified in the VB and in the Mo 3d core levels with distinct features. Mo5+ features are also stable and essential to bridge MoO2 and MoO3 layers, and their co-existence. In addition, characteristic changes in Mo 4d and O 2p features observed from Mo to MoO3 and well corelated to the band gap of MoO3. Oxidation and reduction propagate from the surface to bulk; indeed, this has significant implications in surface-dependent phenomena. The present study demonstrates (a) the uniqueness of NAPUPS in identifying the subtle to large changes in the electronic structure on solid surfaces under common oxidation and reduction (in general, under reaction) conditions, and (b) relevance of NAPUPS to all surface dependent phenomena, such as catalysis and electrochemistry.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b07024}, author = {Reddy, Kasala Prabhakar and Mhamane, Nitin B. and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {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.} } @conference {45433, title = {Melanin-based composite materials for multifunctional applications}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {American-Chemical-Society}, organization = {American-Chemical-Society}, address = {Boston, MA}, abstract = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, author = {Shanmuganathan, Kadhiravan and Ram, Farsa and Pimpalkar, Nikhil} } @article {44334, title = {Mesoporous tin oxide: an efficient catalyst with versatile applications in acid and oxidation catalysis}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {61-76}, type = {Article}, abstract = {Mesoporous tin oxide was prepared by template assisted and template-free methods. As-prepared materials were calcined at various temperatures to generate different nature (Bronsted and Lewis), amount and strength of acidic sites. The physico-chemical properties of the catalysts were studied by XRD, N-2 sorption, pyridine-FTIR, NH3-TPD, DRS UV-vis, TGA, SEM, TEM, H-1 MAS and Sn-119 MAS NMR analyses. The catalytic behavior of mesoporous tin oxide catalysts was evaluated for acetalization and ketalization of glycerol with benzaldehyde and acetone respectively under solvent free conditions. The catalytic performance of mesoporous tin oxide was compared with that of other conventional solid acid catalysts namely H-ZSM-5, H-mordenite, H-beta, Al-MCM-41, Al-SBA-15 and Al-TUD-1. The efficiency of mesoporous tin oxide was also tested for cyclohexene epoxidation reaction. The catalyst prepared by template assisted method showed excellent catalytic performance compared to other catalysts due the difference in nature and amount of acidic sites in the catalyst. Meso-SnO2-T-350 was stable and reusable catalyst for four cycles without any appreciable loss in activity, and therefore it offers a good catalyst for potentially wide applications.}, doi = {10.1016/j.cattod.2017.10.009}, author = {Manjunathan, Pandian and Marakatti, Vijaykumar S. and Chandra, Prakash and Kulal, Atul B. and Umbarkar, Shubhangi B. and Ravishankar, Raman and Shanbhag, Ganapati V.} } @article {44524, title = {Metal-free annulation of β-acylamino ketones: facile access to spirooxazolines and oxazolines via oxidative C{\textendash}O bond formation}, journal = {Organic Chemistry Frontiers }, volume = {5}, year = {2018}, month = {OCT}, pages = {544-548 }, abstract = {A metal-free annulation reaction of β-acylamino ketone derivatives has been reported for the synthesis of a group of functionalized spirooxazolines and oxazolines in good to excellent yields. The reaction proceeds via phenyliodine(III) diacetate (PIDA)-mediated oxidative C{\textendash}O bond formation in the presence of BF3{\textendash}OEt2. The mild reaction conditions, broad substrate scope, simple execution and synthetic potential of the products make this novel protocol very attractive.}, doi = {10.1039/C7QO00783C}, author = {Chavan, Santosh S. and Rupanawar, Bapurao D. and Kamble, Rohit B. and Shelke, Anil M. and Gurunath Suryavanshi} } @article {45354, title = {Metal-free synthesis of 3-thiocyanatobenzothiophenes by eosin Y photoredox-catalyzed cascade radical annulation of 2-alkynylthioanisoles}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {SEP}, pages = { 4867-4873}, type = {Article}, abstract = {

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

}, doi = {10.1002/ejoc.201800833}, author = {Tambe, Shrikant D. and Jadhav, Mahesh S. and Rohokale, Rajendra S. and Kshirsagar, Umesh A.} } @article {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 {44526, title = {Microbacterium telephonicum sp nov., isolated from the screen of a cellular phone}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {68}, year = {2018}, month = {APR}, pages = {1052-1058}, abstract = {

A cultivation-based study of the microbial diversity of cellular phone screens led to the isolation of a Gram-stain-positive, aerobic, rod-shaped and non-endospore-forming bacterium, designated S2T63(T), exhibiting phenotypic and genotypic characteristics unique to the type strains of closely related species. Phylogenetic analysis based on 16S rRNA gene sequences indicated that the strain is a member of Microbacterium, and most closely related to Microbacterium aurantiacum IFO 15234(T) and Microbacterium kitamiense Kitami C2(T). The DNA-DNA relatedness values of the strain S2T63(T) to M. aurantiacum KACC 20510(T), M. kitamiense KACC 20514(T) and Microbacterium laevaniformans KACC 14463(T) were 65\% (+/- 4), 29.5\% (+/- 3) and 55.9\% (+/- 4), respectively. The genomic DNA G+C content was 71.8 mol\%. The major fatty acids were anteiso C-15:0, iso-C-16 : 0, C-16 : 0 and anteiso-C-17 : 0. The main polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and two unidentified polar lipids. The peptidoglycan contained the amino acids glycine, lysine, alanine and glutamic acid, with substantial amounts of hydroxy glutamic acid detected, which is characteristic of peptidoglycan type B1 alpha. The predominant menaquinones were MK-12 and MK-13. Rhamnose, fucose and galactose were the whole-cell sugars detected. The strain also showed biofilm production, estimated by using crystal violet assay. Based on the results of the phenotypic and genotypic characterizations, it was concluded that the new strain represents a novel species of the genus Microbacterium, for which the name Microbacterium telephonicum is proposed, with S2T63(T) (=MCC 2967 T = KACC 18715 T = LMG 29293(T)) as the type strain.

}, keywords = {actinobacteria, bio-film, MALDI-TOF MS, mobile phone}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002622}, author = {Rahi, Praveen and Kurli, Rashmi and Pansare, Aabeejjeet N. and Khairnar, Mitesh and Jagtap, Shubhangi and Patel, Nisha B. and Dastager, Syed G. and Lawson, Paul A. and Shouche, Yogesh S.} } @article {44528, title = {Mixed bacterial culture mediated direct conversion of bio-glycerol to diols}, journal = {Bioresource Technology}, volume = {250}, year = {2018}, month = {FEB}, pages = {86-93}, abstract = {

Direct and economic transformation of biodiesel derived crude glycerol is gaining more significance. During screening of bacterial cultures Klebsiella pneumoniae and Enterobacter aerogenes were able to convert crude bio-glycerol to 2,3-butanediol (2,3-BDO) and 1,3-propanediol (1,3-PDO), as major compounds, ethanol and acetoin as minor compounds, with a conversion of 69\% and 79\% respectively. Process optimization could achieve maximum conversion at pH 7.0, 37 degrees C, 30-40 g/L glycerol and 1.5 g of inoculum until 120 h. Mixed cultures led to complete glycerol conversion with optimal yield and productivity. An innovative approach of using crude glycerol for sustained growth and tolerance of bacteria as source of carbon and energy makes this study more significant. In addition to this, a mixed culture concept introduced here is expected to make impact in process economics for industrial scale synthesis for direct transformation of glycerol into C3 and specifically, C4 diols.

}, keywords = {1, 2, 3-Butanediol, 3-Propanediol, Bioconversion, Bioglycerol, Mixed culture}, issn = {0960-8524}, doi = {10.1016/j.biortech.2017.11.019}, author = {Parate, Roopa and Mane, Rasika and Dharne, Mahesh and Rode, Chandrashekhar} } @article {44230, title = {Modeling and simulation of a fluidized bed gasifier}, journal = {ASIA-Pacific Journal of Chemical Engineering}, volume = {13}, year = {2018}, month = {FEB}, pages = {2155}, type = {Article}, abstract = {

A mathematical model to simulate continuous gasification of coal particles in a bubbling fluidized bed reactor is presented. Material and energy balance equations have been formulated based on the 2-phase theory. Well-known correlations have been used to estimate the hydrodynamics. Devolatilization, heterogeneous reactions, and homogenous reactions have been included in the model. The model is used to simulate 29 experimental data sets from the published literature. The model predictions agree very well with the experimental data by adjusting the particle size. After establishing agreement with the data, the model was used to investigate influence of various operating parameters on overall performance (carbon conversion and the gross calorific value of generated gas). Thermodynamic analysis (using the minimization of the Gibbs free energy approach) has also been discussed. The presented model and results provide useful tool and insight on design and operation of fluidized bed gasifier.

}, issn = {1932-2135}, doi = {10.1002/apj.2155}, author = {Jain, A. A. and Mehra, A. and Ranade, V. V.} } @article {44391, title = {Molecular view of CO2 capture by polyethylenimine: role of structural and dynamical heterogeneity}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {MAY}, pages = {5138-5148}, abstract = {The molecular thermodynamics and kinetics of CO2 sorption in Polyethylenimine (PEI) melt have been investigated systematically using GCMC and MD simulations. We elucidate presence of significant structural and dynamic heterogeneity associated with the overall absorption process. CO2 adsorption in a PEI membrane shows a distinct two-stage process of a rapid CO2 adsorption at the interfaces (hundreds of picoseconds) followed by a significantly slower diffusion limited release toward the interior bulk regions of PEI melt (hundreds of nanoseconds to microseconds). The spatial heterogeneity of local structural features of the PEI chains lead to significantly heterogeneous absorption characterized by clustering and trapping of CO2 molecules that then lead to subdiffusive motion of CO2. In the complex interplay of interaction and entropy, the latter emerges out to be the major determining factor with significantly higher solubility of CO2 near the interfaces despite having lower density of binding amine groups. Regions having higher free-volume (entropically favorable) viz. interfaces, pores and loops demonstrate higher CO2 capture ability. Various local structural features of PEI conformations, for example, inter- and intrachain loops, pores of different radii, and di- or tricoordinated pores are explored for their effects on the varying CO2 adsorption abilities.}, doi = {10.1021/acs.langmuir.8b00204}, author = {Sharma, Pragati and Chakrabarty, Suman and Roy, Sudip and Kumar, Rajnish} } @article {44648, title = {Multi-step continuous flow synthesis of the cystic fibrosis medicine ivacaftor}, journal = {Reaction Chemistry \& Engineering}, volume = {3}, year = {2018}, month = {AUG}, pages = {520-526}, abstract = {

A continuous flow ozonolysis method combined with a multi-step flow sequence is developed for the synthesis of the drug ivacaftor for the first time. Safe ozonolysis, a continuous flow quadruple reaction to construct a quinolone scaffold, and inline extraction followed by continuous phase separation are the key features of the present work. The feasibility of using a continuous mixed flow reactor, commonly referred to as a continuous stirred tank reactor (CSTR), is also investigated for the relatively slow reaction step. The current integrated multi-step flow synthesis can produce 7.2 g of the drug ivacaftor per day on a laboratory scale, which is sufficient to treat 50 patients per day. The present route can also be used as a general route for the synthesis of other related drugs such as quinolone antibiotics.

}, issn = {2058-9883}, doi = {10.1039/c8re00025e}, author = {Vasudevan, N. and Sharma, Mrityunjay K. and Reddy, D. Srinivasa and Kulkarni, Amol A.} } @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 {44597, title = {N-Methylation of isoDGR peptides: discovery of a selective alpha 5 beta 1-integrin ligand as a potent tumor imaging agent}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {MAR}, pages = {2490-2499}, type = {Article}, abstract = {

Specific targeting of the integrin subtype alpha 5 beta 1 possesses high potential in cancer diagnosis and therapy. Through sequential N-methylation, we successfully converted the biselective alpha 5 beta 1/alpha v beta 6 peptide c(phg-isoDGR-k) into a potent peptidic RGD binding aSfil subtype selective ligand c(phg-isoDGR-(NMe)k). Nuclear magnetic resonance spectroscopy and molecular modeling clarified the molecular basis of its improved selectivity profile. To demonstrate its potential in vivo, c(phg-isoDGR-(NMe)k) was trimerized with the chelator TRAP and used as a positron-emission tomography tracer for monitoring alpha 5 beta 1 integrin expression in a M21 mouse xenograft.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.7b01752}, author = {Kapp, Tobias G. and Di Leva, Francesco Saverio and Notni, Johannes and Raeder, Andreas F. B. and Fottner, Maximilian and Reichart, Florian and Reich, Dominik and Wurzer, Alexander and Steiger, Katja and Novellino, Ettore and Marelli, Udaya Kiran and Wester, Hans-Juergen and Marinelli, Luciana and Kessler, Horst} } @article {45579, title = {Nonconventional method for drying of Pseudomonas aeruginosa and its comparison with conventional methods}, journal = {Drying Technology}, volume = {37}, year = {2018}, month = {MAY}, pages = {839-853}, type = {Article}, abstract = {

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

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

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

}, keywords = {Deborah number, Draw resonance, Film extrusion, Multi-mode, Nonisothermal, stability}, issn = {0035-4511}, doi = {10.1007/s00397-018-1095-7}, author = {Chougale, Sanket and Rokade, Dhammaraj and Bhattacharjee, Tanushree and Pol, Harshawardhan and Dhadwal, Renu} } @article {45388, title = {Novel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives: new leads in cancer and bacterial chemotherapy}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {SEP}, pages = {9571-9575}, type = {Article}, abstract = {

The efficiently designed and synthesized novel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives has been described here which is encouraged by the anticancer activities associated with sunitinib and semaxanib. Synthesized compounds were characterized by (HNMR)-H-1, (CNMR)-C-13 and high-resolution mass spectrometry (HRMS). They are evaluated for invitro antiproliferative properties on cancer cell lines as well as antibacterial activity against gram-positive and gram-negative species. The bioassay results revealed that several compounds exhibit potential antiproliferation activity. Among them, the lead compound 2,2,2-trifluoroethyl 5-((E)-3-(3-fluoro-4-(trifluoromethyl)phenyl)-3-oxoprop-1-enyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (9g) showed the most potent anticancer activity against MDA-MB-231 and PC-3 cancer cell line with GI(50) values of 5.51 and 5.15 mu g/mL and subsequently more active than sunitinib (GI(50): 6.50 mu g/mL) against PC-3. Same compound 9g also exhibits the most potent antibacterial activity against gram-positive bacteria Bacillus subtilis and Staphylococcus aureus with IC50 of 1.44 and 1.54 mu g/mL. In silico prediction, shows that all seven potent compounds obeyed Lipinski rule for druglikeness. Structure-activity relationship (SAR) study reflect the activity enhance with electron withdrawing group on aryl ring and replacement of acid by its bioisosteres i.e. amide and ester group. These studies have successfully identified many newly synthesized compounds as potential anticancer as well as antibacterial agent for further development.

}, doi = {10.1002/slct.201801458}, author = {Rasal, Nishant K. and Sonawane, Rahul B. and Choudhari, Amit S. and Chakraborty, Shakti S. and Sarkar, Dhiman D. and Jagtap, Sangeeta, V.} } @article {45559, title = {Optimization of pressure-Swing distillation by evolutionary techniques: separation of ethanol-water and acetonitrile-water mixtures}, journal = {Chemical Product and Process Modeling}, volume = {13}, year = {2018}, month = {JUN}, type = {Article}, abstract = {Complete separation can be achieved in selective homogeneous azeotropic mixtures by exploiting the pressure sensitive nature of the system. In the present work the optimal number of trays, feed location and reflux ratio for sequential column systems encountered in continuous pressure swing distillation (PSD) have been determined by use of two evolutionary techniques. Two industrially relevant systems: ethanol-water and acetonitrile-water have been considered. The Napthali-Sandholm model is solved to obtain the concentration and temperature profiles. The objective is to minimize the total cost using Genetic Algorithm (GA) and Differential Evolution (DE) for the two azeotropic systems. The techniques offer attractive features like applicability to discontinuous and non-differentiable search spaces.}, issn = {21946159}, doi = {10.1515/cppm-2017-0007}, author = {Adjay Sagar, A. and Rahman, I.} } @article {44228, title = {Optimization of the in situ transesterification step for biodiesel production using biomass of Yarrowia lipolytica NCIM 3589 grown on waste cooking oil}, journal = {Energy}, volume = {142}, year = {2018}, month = {JAN }, pages = {944-952}, type = {Article}, abstract = {

The in situ (one-step) acid-catalyzed transesterification step for conversion to biodiesel of biomass from oleaginous yeast Yarrowia lipolytica grown on waste cooking oil (WCO) is studied. The process yield of biodiesel was optimized by investigating effects of various parameters, namely, biomass, methanol, chloroform, catalyst, temperature, time and sonication. A Plackett-Burman statistical design of experiments revealed that biomass is the most significant factor influencing biodiesel (FAME, fatty acid methyl ester) production. Subsequently, a one variable design (OVD) of experiments for increased biomass loadings showed higher yields of FAME with no additional requirement of reactants, solvents or special equipment. The biomass grown on WCO had a lipid productivity of 0.042 g L-1 h(-1) and 4 g of this loading gave a high FAME yield of 0.88 gin 8 hat 50 degrees C with methanol: chloroform (10:1) and acid catalyst (0.2 M H2SO4,1.0 ml g(-1)). The FAME profile had desirable amounts of saturated (32.81\%), monounsaturated (36.41\%), polyunsaturated (30.59\%) methyl esters. The predicted and experimentally determined physico-chemical properties of FAME were found in accordance with specified international standards. Thus, the direct one-pot in situ transesterification reaction using Y. lipolytica biomass grown on WCO provides a high yield of biodiesel with potential applicability while simultaneously addressing the management of this pollutant. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Biodiesel, FAME, In situ transesterification, One -step, Waste cooking oil, Yarrowia lipolytica}, issn = {0360-5442}, doi = {10.1016/j.energy.2017.10.082}, author = {Katre, Gouri and Raskar, Shubham and Zinjarde, Smita and Kumar, V. Ravi and Kulkarni, B. D. and RaviKumar, Ameeta} } @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 {44242, title = {pH dependent sophorolipid assemblies and their influence on gelation of silk fibroin protein}, journal = {Materials Chemistry and Physics}, volume = {203}, year = {2018}, month = {JAN }, pages = {9-16}, type = {Article}, abstract = {

Sophorolipid (SL), a bio-derived surfactant is an excellent gelling agent for natural fibrous protein, silk fibroin (SF) leading to potential biomedical applications. Interaction of SF with SL has been shown to accelerate the formation of hydrogel with the rate being dependent on the form of SL used. Here, we examine the effect of pH on SL-SF interaction and gel formation by employing rheology, fluorescence spectroscopy, SANS and NMR. The results indicate that the size of SL assemblies decrease as pH increases from acidic to alkaline and significantly impacts the association of SL and SF. The association of SF and SL is mainly via hydrophobic interactions, with the SL molecules forming bead like structures along the SF chain. The increased charge on the acidic form of SL at higher pH results in greater repulsion between acidic SL molecules, which are bound to the hydrophobic sites of SF, leading to rapid chain unfolding and subsequent gelation. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Assemblies, Nuclear magnetic resonance spectroscopy, pH, Silk fibroin, Small angle neutron scattering, Sophorolipid}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2017.09.045}, author = {Dubey, Parul and Kumar, Sugam and Ravindranathan, Sapna and Vasudevan, Sahana and Aswal, Vinod K. and Rajamohanan, Pattuparambil R. and Nisal, Anuya and Prabhune, Asmita} } @article {44547, title = {Phase diagram of self-assembled sophorolipid morphologies from mesoscale simulations}, journal = {Journal of Molecular Liquids}, volume = {254}, year = {2018}, month = {MAR }, pages = {198-207}, abstract = {

We have constructed a phase diagram from the self-assembled morphologies of linolenic acid sophorolipid in water by performing mesoscale simulations in different concentrations. The dependence of morphologies and its properties of the self-assembled structure as a function of the concentration of bolaamphiphile in water are investigated. Two hydrophilic head groups and one hydrophobic tail group of bolaamphiphile have been mapped to beads for mesoscale simulation. The interaction parameters between different beads are calculated using Flory-Huggins solution theory. Flory-Huggins x-parameters have been calculated from atomistic simulation and experimental data of pure components constituting linolenic acid sophorolipid. We have obtained different self-assembled morphologies depending upon the concentrations of sophorolipid in water. We have explored the arrangements of hydrophobic and hydrophilic groups of the sophorolipid chains in the different morphologies. The sophorolipid chains found to be present in different structural arrangements. The residence time and flip frequency of these lipids in different orientations have been calculated and discussed in this work. (C) 2018 Elsevier B.V. All rights reserved.

}, keywords = {Bolaamphiphile, Flip frequency, Mesoscale simulation, Orientation of chains, Self-assembly}, issn = {0167-7322}, doi = {10.1016/j.molliq.2018.01.092}, author = {Sarkar, Sujit and Chakraborty, Souvik and Roy, Sudip} } @article {44361, title = {pH-dependent speciation and hydrogen (H-2) control U(VI) respiration by Desulfovibrio vulgaris}, journal = {Biotechnology and Bioengineering}, volume = {115}, year = {2018}, month = {JUN}, pages = {1465-1474}, type = {Article}, abstract = {In situ bioreduction of soluble hexavalent uranium U(VI) to insoluble U(IV) (as UO2) has been proposed as a means of preventing U migration in the groundwater. This work focuses on the bioreduction of U(VI) and precipitation of U(IV). It uses anaerobic batch reactors with Desulfovibrio vulgaris, a well-known sulfate, iron, and U(VI) reducer, growing on lactate as the electron donor, in the absence of sulfate, and with a 30-mM bicarbonate buffering. In the absence of sulfate, D. vulgaris reduced >90\% of the total soluble U(VI) (1mM) to form U(IV) solids that were characterized by X-ray diffraction and confirmed to be nano-crystalline uraninite with crystallite size 2.8 +/- 0.2nm. pH values between 6 and 10 had minimal impact on bacterial growth and end-product distribution, supporting that the mono-nuclear, and poly-nuclear forms of U(VI) were equally bioavailable as electron acceptors. Electron balances support that H-2 transiently accumulated, but was ultimately oxidized via U(VI) respiration. Thus, D. vulgaris utilized H-2 as the electron carrier to drive respiration of U(VI). Rapid lactate utilization and biomass growth occurred only when U(VI) respiration began to draw down the sink of H-2 and relieve thermodynamic inhibition of fermentation.}, doi = {10.1002/bit.26579}, author = {Kushwaha, Shilpi and Marcus, Andrew K. and Rittmann, Bruce E.} } @article {44346, title = { Photo-induced surface modification to improve the performance of lead sulfide quantum dot solar}, journal = {Journal of Colloid and Interface Science}, volume = {522}, year = {2018}, month = {JUL}, pages = {120-125}, type = {Article}, abstract = {The solution-processed quantum dot (QD) solar cell technology has seen significant advancements in recent past to emerge as a potential contender for the next generation photovoltaic technology. In the development of high performance QD solar cell, the surface ligand chemistry has played the important role in controlling the doping type and doping density of QD solids. For instance, lead sulfide (PbS) QDs which is at the forefront of QD solar cell technology, can be made n-type or p-type respectively by using iodine or thiol as the surfactant. The advancements in surface ligand chemistry enable the formation of p-n homojunction of PbS QDs layers to attain high solar cell performances. It is shown here, however, that poor Fermi level alignment of thiol passivated p-type PbS QD hole transport layer with the n-type PbS QD light absorbing layer has rendered the photovoltaic devices from realizing their full potential. Here we develop a control surface oxidation technique using facile ultraviolet ozone treatment to increase the p-doping density in a controlled fashion for the thiol passivated PbS QD layer. This subtle surface modification tunes the Fermi energy level of the hole transport layer to deeper values to facilitate the carrier extraction and voltage generation in photovoltaic devices. In photovoltaic devices, the ultraviolet ozone treatment resulted in the average gain of 18\% in the power conversion efficiency with the highest recorded efficiency of 8.98\%. (C) 2018 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jcis.2018.03.047}, author = {Tulsani, Srikanth Reddy and Rath, Arup Kumar} } @conference {44549, title = {Polyethyleneglycol/silver functionalized Reduced graphene oxide aerogel for environmental application}, booktitle = {62nd Dae Solid State Physics Symposium}, year = {2018}, publisher = {Dept Atom Energy; Board Res Nucl Sci, Dept Atom Energy; Bhabha Atom Res Ctr}, organization = {Dept Atom Energy; Board Res Nucl Sci, Dept Atom Energy; Bhabha Atom Res Ctr}, address = {2 Huntington Quadrangle, Ste 1 No1, Melville, NY 11747-4501 USA}, abstract = {

Polyethylene glycol (PEG)/Silver (Ag) functionalized reduced graphene oxide aerogel (RGOA) was synthesized. PEG/Ag decorated reduced graphene oxide aerogel was characterized using XRD, Raman spectroscopy, Fourier transform infrared spectroscopy (FT-IR). The surface morphology of PEG/Ag/RGOA was analyzed using scanning electron microscope. The non-covalent interaction between reduced graphene oxide layers and the interaction between PEG and Ag on RGOA were studied by FT-IR spectra. It was observed that the interaction between Ag and PEG could enhance the properties of RGOA. Methyl Orange (MO) dye degradation was observed from UV-Vis Spectra. The process was studied by monitoring the simultaneous decrease in the height of UV-Vis absorption peak of dye solution. The results show that PEG/RGOA and PEG/Ag/RGOA are an efficient catalyst for dye degradation.

}, isbn = {978-0-7354-1634-5}, doi = {10.1063/1.5028718}, author = {Kumari, G. Vanitha and Asha, S. and Ananth, A. Nimrodh and Rajan, M. A. Jothi and Mathavan, T.} } @article {45348, title = {Quantum dots coupled to an oriented two-dimensional crystalline matrix for solar cell application}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {NOV}, pages = {39074-39082}, type = {Article}, abstract = {Colloidal quantum dots (QDs) have emerged as promising materials to harness panchromatic solar light, owing to their size-tunable optoelectronic properties. Advancements in surface passivation strategy and processing technique have contributed immensely to their developments in photovoltaic applications. Recently, surface passivation using halometallate ligands was shown to form a protective shell layer, which reduced the structural and energetic disorder in the QD solid. Here, we report lead sulfide (PbS) QDs coupled to an oriented two-dimensionally (2D) confined crystalline matrix by using a halometallate ligand. The QDs undergo surface reconstruction during the ligand treatment process, which leads to change in their shape, size, and axis length. We show that the 2D matrix is a combination of two distinct crystalline layers consisting of a crystalline Pb amine complex and a 2D perovskite layer. The thickness of the matrix layer is modulated further by adjusting counter cations, which results in the enhancement in charge carrier mobility, carrier recombination lifetime, and diffusion length in the QD solid. 2D passivated QDs are implemented to fabricate photovoltaic devices with high power conversion efficiency of 9.1\%.}, doi = {10.1021/acsami.8b15469}, author = {Mandal, Debranjan and Rath, Arup K.} } @article {44376, title = {Quest for novel chemical entities through incorporation of silicon in drug scaffolds}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {MAY}, pages = {3779-3798}, abstract = {In order to optimize a lead molecule for further development, bioisosteric replacements are generally adopted as one of the strategies. Silicon appears to be the right choice as a carbon isostere because of the similarity in chemical properties. Silicon can be strategically introduced in a molecule to modulate its druglike properties, providing medicinal chemists with an unconventional strategy for replacing a carbon atom. Silicon can also be introduced to replace other heteroatoms and can act as a surrogate of functional groups such as olefin and amide as well. The present Perspective focuses on the opportunities that silicon incorporation offers in drug discovery, with an emphasis on case studies where introduction of silicon has created a benefit over its analog. We have tried to highlight all the recent developments in the field and briefly discuss the challenges associated with them.}, doi = {10.1021/acs.jmedchem.7b00718}, author = {Ramesh, Remya and Reddy, D. Srinivasa} } @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 {45608, title = {Recent methods for the synthesis of α-acyloxy ketones }, journal = {Organic and biomolecular chemistry}, volume = {16}, year = {2018}, month = {DEC}, pages = {9334-9348 }, type = {Article }, abstract = {The present review provides a broad description of the methods reported for the synthesis of α-acyloxy ketones and some of their derivatives. α-Acyloxy ketones and their derivatives are vital synthetic intermediates and are ubiquitous as biochemical constituents of living organisms, biologically active natural products and pharmaceuticals. Due to their biological importance, new methods for their synthesis are being continuously developed and documented in the recent past. However, the chemical literature lacks a comprehensive summary on the synthetic methodologies targeting α-acyloxy ketones. In an attempt to fill this void, this review discusses their synthetic procedures developed over time. The synthetic approaches are systematically classified based on the substrates used. The mechanistic details for certain critical cases are also discussed. In the past, preparation of α-acyloxy ketones was reported from functionalized ketones like α-haloketones and diazo esters. Later on, among the reactions that formed the acyloxy ketones, oxidative coupling of ketones with carboxylic acids both under metal and metal-free conditions made their synthesis simple and versatile. Specifically, in the last decade, many oxidative coupling reactions emerged as a powerful tool for the synthesis of α-acyloxy ketones. Quite recently, acyloxy ketones{\textquoteright} synthesis has been reported from commercially available alkenes and alkynes through oxidative addition reactions. Subsequently, the mechanistic details for these coupling reactions became interesting to many organic chemists. The asymmetric version of the title compounds hails from their enzymatic resolution to metal catalysed chiral synthesis. Besides, the synthesis of acyloxy ketones from epoxides, alcohols and enamides using various oxidative reagents has also been documented.}, doi = { 10.1039/C8OB02881H}, author = {Prasad, P. K. and Reddi, R. N. and Arumugam, S.} } @article {45592, title = {Recursive orthogonal least squares based adaptive control of a polymerisation reactor}, journal = {Indian Chemical Engineer}, year = {2018}, month = {NOV}, type = {Article}, abstract = {A Nonlinear Internal Model Control (NIMC) scheme, based on a recursively updated Radial Basis Function Network (RBFN), is applied to control the nonlinear Polymerisation process. Recursive Orthogonal Least Squares (ROLS) algorithm recursively updates the weighting matrix of RBFN in real time, such that modelling errors are minimised. In addition to the ROLS based adaptive IMC, a non-adaptive IMC, based on the fixed Orthogonal Least Squares (OLS) algorithm and a normal PID controller are also applied to control the polymerisation process. The simulated results show the effectiveness of the ROLS based controller in terms of response time to step changes and disturbance rejection capabilities over the classical PID controller and the fixed OLS based IMC. Also, the proposed algorithm fits well in the IMC framework}, doi = {10.1080/00194506.2018.1545605}, author = {Tiwari, S. and Sawant, P. and Rahman, I.} } @article {44565, title = {Role of palladium crystallite size on CO oxidation over CeZrO 4-δ supported Pd catalysts}, journal = {Journal of Molecular Catalysis }, volume = {455}, year = {2018}, month = {AUG}, abstract = {Photodeposited palladium on nanocrystalline CeZrO 4-δ support was evaluated for CO oxidation, as a function of particle size and pre-treatment. All the catalysts were well characterized by XRD, SEM, EDX, TEM, CO chemi-sorption and Raman spectroscopy. It was observed that change in photodeposition time alters the average crystallite size of Pd, and the same was confirmed by CO chemisorption. 7 nm average crystallite size of Pd exhibited excellent catalytic activity for CO oxidation. In order to understand the effect of support and metal-support interaction, 1 wt\% Pd was deposited deliberately onto reduced and oxidized CeZrO 4-δ support. The reduced support with anionic vacancies and more Ce 3+ species exhibited an improvement in CO oxidation at onset temperature. Detailed analysis shows that Pd-deposition occurs preferentially at oxygen-vacancy sites and subsequent metal-support interaction influences the catalysis.}, doi = {10.1016/j.mcat.2018.05.021}, author = {Burange, Anand S. and Reddy, Kasala Prabhakr and Gopinath, Chinnakonda and Shukla, Rakesh and Tyagi, Avesh K.} } @article {44206, title = {Role of surface ligands in determining the electronic properties of quantum dot solids and their impact on photovoltaic figure of merits}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {1072-1080}, type = {Article}, abstract = {

Surface chemistry plays a crucial role in determining the electronic properties of quantum dot solids and may well be the key to mitigate loss processes involved in quantum dot solar cells. Surface ligands help to maintain the shape and size of the individual dots in solid films, to preserve the clean energy band gap of the individual particles and to control charge carrier conduction across solid films, in turn regulating their performance in photovoltaic applications. In this report, we show that the changes in size, shape and functional groups of small chain organic ligands enable us to modulate mobility, dielectric constant and carrier doping density of lead sulfide quantum dot solids. Furthermore, we correlate these results with performance, stability and recombination processes in the respective photovoltaic devices. Our results highlight the critical role of surface chemistry in the electronic properties of quantum dots. The role of the size, functionality and the surface coverage of the ligands in determining charge transport properties and the stability of quantum dot solids have been discussed. Our findings, when applied in designing new ligands with higher mobility and improved passivation of quantum dot solids, can have important implications for the development of high-performance quantum dot solar cells.

}, issn = {2040-3364}, doi = {10.1039/c7nr06116a}, author = {Goswami, Prasenjit N. and Mandal, Debranjan and Rath, Arup K.} } @article {44569, title = {Silicon oxidation by NAPPES: From dangling bonds to oxygen islands to 2D SiOx layer to the onset of bulk SiO2 formation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {MAR }, pages = {4331-4338}, abstract = {

Valence band and core level photoelectron spectral measurements at near-ambient pressures (NAP; up to 0.5 mbar) were made in the presence of molecular oxygen to explore the various oxidation stages of silicon surfaces. Dangling bonds feature observed on clean Si-surfaces in the valence band at ultrahigh vacuum decreases dramatically due to oxygen adsorption between ambient temperature and up to 400 K at 0.1 mbar of O-2 pressure. The adsorption of oxygen on dangling bonds appears to be localized as islands; this reflects in the surface heterogeneous character and also responsible for the broadening in the oxygen gas phase vibrational features. This is further supported by an increase in the work function and can be correlated to the presence of Hofer (molecular) precursor. When the temperature was increased to 500 K, molecular precursor species dissociates to form Si-=-0 species. This is fully supported by the change in the Si work function as well as from the observation of oxidized Si species from Si 2p core level spectra. At \>= 600 K, the Si-=-0 species dissociates to form a uniform 2D oxide layer on the silicon surface, which is characterized by the reappearance of sharp vibration features for gas-phase O-2 molecules. This layer is also quite stable up to 800 K and without any further oxidation in the bulk. On increasing the temperature to 850 K at 0.2 mbar oxygen pressure, bulk Si oxidation begins and the work function increases drastically by 1 eV. An angle-dependent Si 2p spectra recorded map out the presence of elemental Si to Si4+ from bulk to the surface, respectively. A simple model is proposed to show the various stage of silicon oxidation. A continuous change in the work function and electronic states observed due to gas-lattice (O-2-Si) interaction indicates the implications for surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, 2D layered materials.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b11956}, author = {Ghosalya, Manoj Kumar and Jain, Ruchi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {44367, title = {Silicon-fluorine chemistry: from the preparation of SiF2 to C-F bond activation using silylenes and its heavier congeners}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAY}, pages = {5046-5057}, type = {Article}, abstract = {This feature article is intended to provide a background to the history of the isolation of silicon(II) fluorides and the different synthetic methodologies used to generate them. Although first detected in the 1970s, the chemistry of silicon(II) fluorides has not encountered serious research efforts for a rather long period of time. This is somewhat surprising given the fact that the chemistry of compounds with divalent silicon has undergone a renaissance during last three decades. Recently, the interest in silicon(II) fluorides have been resparked with tremendous progress being achieved in this area, in particular, with respect to their synthesis and structural characterisation. The successful isolation of cyclic alkyl amino carbene (cAAC) stabilized silicon difluoride has completed the classic progression of SiF2, from a transient intermediate to spectroscopically detected molecule to a stable compound. The related germanium(II), tin(II), and lead(II) fluoride chemistry will also be discussed. Apart from the isolation of tetrel(II) fluorides, the use of compounds with low valent group 14 elements for the selective activation and functionalisation of C-F bonds has witnessed some remarkable advances, which will also be summarized in this feature article.}, doi = {10.1039/c8cc01816b}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {44381, title = {Single pot selective hydrogenation of furfural to 2-methylfuran over carbon supported iridium catalysts}, journal = {Green Chemistry}, volume = {20}, year = {2018}, month = {MAY}, pages = {2027-2037}, abstract = {Various iridium supported carbon catalysts were prepared and screened for the direct hydrogenation of furfural (FFR) to 2-methyl furan (2-MF). Amongst these, 5\% Ir/C showed excellent results with complete FFR conversion and highest selectivity of 95\% to 2-MF at a very low H-2 pressure of 100 psig. Metallic (Ir degrees) and oxide (IrO2) phases of Ir catalyzed the first step hydrogenation involving FFR to FAL and subsequent hydrogenation to 2-MF, respectively. This was confirmed by XPS analysis and some control experiments. At a low temperature of 140 degrees C, almost equal selectivities of FAL (42\%) and 2-MF (43\%) were observed, while the higher temperature (220 degrees C) favored selective hydrodeoxygenation. At optimized temperature, 2-MF was formed selectively while higher pressure and higher catalyst loading favored ring hydrogenation of furfural rather than side chain hydrogenation. With the combination of several control experimental results and detailed catalyst characterization, a plausible reaction pathway has been proposed for the selective formation of 2-MF. The selectivity to various other products in FFR hydrogenation can be manipulated by tailoring the reaction conditions over the same catalyst.}, doi = {10.1039/c8gc00284c}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K-W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {44182, title = {Single step, phase controlled, large scale synthesis of ferrimagnetic iron oxide polymorph nanoparticles by thermal plasma route and their rheological properties}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {449}, year = {2018}, month = {MAR 1}, pages = {232-242}, type = {Article}, abstract = {

In this paper we report single step large scale synthesis of highly crystalline iron oxide nanoparticles viz. magnetite (Fe3O4) and maghemite (gamma-Fe2O3) via gas phase condensation process, where micron sized iron metal powder was used as a precursor. Selective phases of iron oxide were obtained by variation of gas flow rate of oxygen and hence partial pressure of oxygen inside the plasma reactor. Most of the particles were found to possesses average crystallite size of about 20-30 nm. The DC magnetization curves recorded indicate almost super-paramagnetic nature of the iron oxide magnetic nanoparticles. Further, iron oxide nanoparticles were analyzed using Raman spectroscopy, X-ray photoelectron spectroscopy and Mossbauer spectroscopy. In order to explore the feasibility of these nanoparticles for magnetic damper application, rheological studies have been carried out and compared with commercially available Carbonyl Iron (CI) particles. The nanoparticles obtained by thermal plasma route show improved dispersion which is useful for rheological applications. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Iron oxide, magnetic properties, Nano-crystalline materials, Rheological properties, Thermal plasma}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2017.09.056}, author = {Raut, Suyog A. and Mutadak, Pallavi R. and Kumar, Shiv and Kanhe, Nilesh S. and Huprikar, Sameer and Pol, Harshawardhan V. and Phase, Deodatta M. and Bhoraskar, Sudha V. and Mathe, Vikas L.} } @article {45458, title = {Single-pot reductive rearrangement of furfural to cyclopentanone over silica-supported Pd catalysts}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {AUG}, pages = {9860-9871}, type = {Article}, abstract = {

Direct one-pot hydrogenation of furfural (FFR) to cyclopentanone (CPO) was investigated over different silica-supported Pd catalysts. Among these, 4\% Pd on fumed silica (4\%Pd/f-SiO2) showed remarkable results, achieving almost 98\% furfural (FFR) conversion with similar to 89\% selectivity and 87\% yield to cyclopentanone at 165 degrees C and 500 psig H-2 pressure. More interestingly, the fumed-silica-supported catalyst tuned the selectivity toward the rearrangement product, i.e, cyclopentanone, whereas all of the other supports were found to give ring hydrogenation as well as side chain hydrogenation products due to their parent Bronsted acidity and specific support properties. X-ray diffraction data revealed the presence of different phases of the face-centered cubic lattice of metallic Pd along with lowest crystallite size of 15.6 nm in the case of the silica-supported Pd catalyst. However, Pd particle size was found to be in the range of 5-13 nm with even dispersion over the silica support, confirmed by high-resolution transmission electron microscopy analysis. While studying the effect of reaction parameters, it was observed that lower temperature gave low furfural conversion of 58\% with only 51\% CPO selectivity.. Similarly, higher H-2 pressure lowered CPO selectivity with subsequent increase in 2-methyl furan and ring hydrogenation product 2-methyl furan and 2-methyl tetrahydrofuran. Thus, as per the requirement, the product selectivity can be tuned by varying the type of support and/or the reaction parameters suitably. With the help of several control experiments and the characterization data, a plausible reaction pathway was proposed for the selective formation of cyclopentanone.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b00980}, author = {Date, Nandan S. and Kondawar, Sharda E. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {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 {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 {45369, title = { Spin state engineered ZnxCo3-xO4 as an efficient oxygen evolution electrocatalyst }, journal = {Physical Chemistry Chemuical Physics}, volume = {20}, year = {2018}, month = {DEC}, pages = {29452-29461}, type = {Article }, abstract = {Oxygen evolution is the key step in the oxidation of water in electrolyzers and photoelectrochemical cells for the production of hydrogen. Developing a non-precious metal oxide catalyst with good electrocatalytic activity for the oxygen evolution reaction (OER) is very challenging. In this work, nanostructured ZnxCo3-xO4 has been shown as an efficient catalyst with a low overpotential for the OER in 0.1 M KOH solution. Substitution of Co2+ in the spinel oxide Co3O4 with Zn2+ creates a higher number of high-spin Co3+, which is found to be directly correlated with the OER activity of ZnxCo3-xO4. Zn0.8Co2.2O4 (x = 0.8) with the optimum amount of Co2+/Co3+ and high-spin Co3+ content showed a very low overpotential of approximate to 250 mV, at 10 mA cm(-2), with a turnover frequency of approximate to 3 x 10(-3) s(-1) for the OER. The high Faradaic efficiency along with the stability of Zn0.8Co2.2O4 and electrocatalytic activity comparable with that of precious metal oxides indicate that this composition is a promising catalyst for water oxidation.}, issn = {1463-9076}, doi = {10.1039/c8cp06641h}, author = {Ramsundar, Rani Mohan and Pillai, Vijayamohanan Kunjukrishna and Joy, Pattayil Alias} } @article {44567, title = {Steering the ester and gamma-valerolactone selectivities in levulinic acid hydrogenation}, journal = {Energy Fuels}, volume = {32 }, year = {2018}, month = {JUN}, pages = {6887{\textendash}6900}, type = {Journal Article}, abstract = {

Both alkyl esters and γ-valerolactone (GVL) derived from levulinic acid (LA) have applications as renewable transportation fuel/fuel additives. Non-noble metal cobalt supported on La2O3 catalyst was developed for efficient cascade LA hydrogenation to GVL via esterification. LA hydrogenation in methanol alone yielded methyl levulinate (MeLA) as a major product along with 43\% of GVL. Interestingly, hydrogenation in water gave almost complete selectivity to GVL; nevertheless, it was associated with significant metal leaching. Suppression of metal leaching and enhancement in selectivity to GVL could be achieved by a methanol/water (95:5) solvent system. XRD analysis of La2O3-supported catalysts evidenced the characteristic peaks of a mixture of La2O3 and La(OH)3 phases. Basicity, as well as acidity, of the catalyst as determined by CO2 and NH3 TPD was due to these La2O3, Co{\textendash}La, and La(OH)3 phases which played an important role in directing the product selectivity in levulinic acid hydrogenation. At the low temperature of 160 {\textdegree}C, almost equal selectivities of MeLA (47\%) and GVL (43\%) were observed, while higher temperature (200 {\textdegree}C) favored further hydrogenation of MeLA to GVL (75\%). Similarly, with an increase in reaction time to 9 h, the GVL selectivity achieved was as high as 80\%. The selectivity to MeLA and GVL in LA hydrogenation over Co/La2O3 catalyst can be altered by suitably adjusting the reaction conditions.

}, doi = {10.1021/acs.energyfuels.8b01263}, author = {Kasar, Gayatri B. and Date, Nandan S. and Bhosale, P. N. and Rode, Chandrashekhar V.} } @conference {45431, title = { Strategies to reduce necking and drawdown defects in polymer melt extrusion film casting process}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {AMER CHEMICAL SOC.}, organization = {AMER CHEMICAL SOC.}, address = {Boston, MA}, abstract = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, author = {Rokade, Dhammaraj and Chougale, Sanket and Pol, Harshawardhan} } @article {45556, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L.}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {24}, year = {2018}, month = {NOV}, pages = {1-9}, type = {Article}, abstract = {Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8{\r A} resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum. Abbreviations BApNA Nα-Benzoyl-L-arginine 4-nitroanilide BPT bovine pancreatic trypsin CaTI2 Cicer arietinum L trypsin inhibitor 2 DrTI Delonix regia Trypsin inhibitor EcTI Enterolobium contortisiliquum trypsin inhibitor ETI Erythrina caffra trypsin inhibitor KTI Kunitz type inhibitor STI soybean trypsin inhibitor TKI Tamarindus indica Kunitz inhibitor Communicated By Ramaswamy H. Sarma.}, author = {Bendre, A.D. and Suresh, C.G. and Shanmugam, D. and Ramasamy, S.} } @article {44551, title = {Structure and function of a highly active Bile Salt Hydrolase (BSH) from Enterococcus faecalis and post-translational processing of BSH enzymes}, journal = {Biochim Biophys Acta.}, volume = {1866}, year = {2018}, month = {JAN}, pages = {507-518}, type = {Journal Article}, abstract = {Bile Salt Hydrolase (BSH), a member of Cholylglycine hydrolase family, catalyzes the de-conjugation of bile acids and is evolutionarily related to penicillin V acylase (PVA) that hydrolyses a different substrate such as penicillin V. We report the three-dimensional structure of a BSH enzyme from the Gram-positive bacteria Enterococcus faecalis (EfBSH) which has manifold higher hydrolase activity compared to other known BSHs and displays unique allosteric catalytic property. The structural analysis revealed reduced secondary structure content compared to other known BSH structures, particularly devoid of an anti-parallel β-sheet in the assembly loop and part of a β-strand is converted to increase the length of a substrate binding loop 2. The analysis of the substrate binding pocket showed reduced volume owing to altered loop conformations and increased hydrophobicity contributed by a higher ratio of hydrophobic to hydrophilic groups present. The aromatic residues F18, Y20 and F65 participate in substrate binding. Thus, their mutation affects enzyme activity. Docking and Molecular Dynamics simulation studies showed effective polar complementarity present for the three hydroxyl (-OH) groups of GCA substrate in the binding site contributing to higher substrate specificity and efficient catalysis. These are unique features characteristics of this BSH enzyme and thought to contribute to its higher activity and specificity towards bile salts as well as allosteric effects. Further, mechanism of autocatalytic processing of Cholylglycine Hydrolases by the excision of an N-terminal Pre-peptide was examined by inserting different N-terminal pre-peptides in EfBSH sequence. The results suggest that two serine residues next to nucleophile cysteine are essential for autocalytic processing to remove precursor peptide. Since pre-peptide is absent in EfBSH the mutation of these serines is tolerated. This suggests that an evolution-mediated subordination of the pre-peptide excision site resulted in loss of pre-peptide in EfBSH and other related Cholylglycine hydrolases.}, keywords = {autocatalytic processing, Bile salt hydrolase, molecular dynamics, Mutagenesis, Polar complementarity, X-ray crystallography}, issn = {15709639}, doi = {0.1016/j.bbapap.2018.01.003.}, author = {Chand, D.}, editor = {Panigrahi, P.} } @article {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 {44536, title = {Subtle interaction between Ag and O 2 : a near ambient pressure UV photoelectron spectroscopy (NAP-UPS) investigations}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {MAR}, pages = {30}, type = {Journal Article}, abstract = {The Ag-O2 interaction, which is at the center-stage of Ag-catalyzed partial oxidation reactions, is studied with NAP-UPS up to 0.2 mbar O2 pressure between 295 and 550 K. Three temperature regimes were identified for distinct Ag-O2 interaction, which are (a) 295{\textendash}390 K, where mainly dissociative chemisorption of O2 happens, (b) 390{\textendash}450 K, where diffusion of O-atoms into the sub-surfaces of Ag is prominent, and (c) >450 K, where metastable oxide forms on polycrystalline Ag surfaces. The work function (WF) of Ag changed from 4.95 (<=390 K) to 5.30 eV (390{\textendash}450 K), and then to 5.7 eV (>=450 K) at 0.1 mbar O2 pressure. Oxygen population in the sub-surfaces imparts crucial modifications to Ag at 390{\textendash}450 K; it makes the surface to be electron-deficient that relates to the change in the WF of Ag and facilitates the formation of space charge layer on Ag surface. Oxygen adsorbed on such modified Ag-surfaces is electrophilic in nature, and this appears at a higher binding energy in core level XPS than the chemisorbed oxygen on metallic Ag. This is supported by angle-dependent NAP-XPS studies. The subsurface population of oxygen in Ag no longer persists at >410 K when the O2 supply is removed. A high ratio of antibonding/bonding O 2p bands suggests the unique silver-oxygen interaction under the measurement conditions.}, keywords = {Electronic Structure, epoxidation, heterogeneous catalysis, Surface Science}, issn = {9743626}, doi = {10.1007/s12039-018-1434-3}, author = {Ghosalya, Manoj Kumar}, editor = {Reddy, Kasala Prabhakar} } @article {44529, title = {Surface colonized silver nano particles over chitosan poly-electrolyte micro-spheres and their multi-functional behavior}, journal = {Materials Research Express}, volume = {5}, year = {2018}, month = {FEB }, pages = { 025032}, type = {Journal Article}, abstract = {hitosan/tripolyphosphate polyelectrolyte (TPP) microspheres, decorated and surface functionalized with silver nanoparticles (NPs) of average diameter of 15 nm, were synthesized following a simple two-step procedure. These Ag NP-functionalized polyelectrolyte microspheres (Ag-CSPMs) are found to be biocompatible and enhancing the reactive oxygen species in curcumin with excellent anti-bacterial activity for selected Gram-positive and negative bacterial strains, making them much attractive relative to bare surface counterparts; the well-stabilized silver NPs do not form any agglomerations on the surface of the chitosan microspheres. They also show excellent cytotoxic behavior towards MCF7 cell lines, showing a half-maximal inhibitory concentration (IC50) of 32 μg ml-1. Therefore, Ag-CSPMs exhibit multi-functional ability having potential towards theranostics applications.}, keywords = {antibacterial properties, Chitosan, Cytotoxicity, reactive oxygen species, silver nanoparticles, theranostics}, issn = {20531591}, doi = { 10.1088/2053-1591/aaa3c6}, author = {Prakash, B.}, editor = {Asha, S.} } @article {44505, title = {Synthesis of diesel additives from fructose over PWA/SBA-15 catalyst}, journal = {Fuel }, volume = {217}, year = {2018}, month = {JAN}, pages = {38-44}, type = {Journal Article}, abstract = {A series of composites of phosphotungstic acid (PWA) H3PW12O40 with SBA-15 were prepared by varying PWA amount from 5\% to 30\% by one-step sol-gel hydrothermal as well as by impregnation methods. Successful incorporation of PWA into the SBA-15 framework by sol-gel method was confirmed by 31P NMR in which a shifting of the peak due to tetrahedral {\textquoteleft}P{\textquoteright} atom of PWA from -14.32 and -14.49 ppm was observed. The composites exhibited both Br{\o}nsted and Lewis acidity, large and well distributed three dimensional interconnected pores with high surface areas exhibiting excellent activity for one pot synthesis of 5-(hydroxymethyl) furfural (5-HMF) and 5-(ethoxymethyl) furfural (EMF) from fructose. The minimum loading of 5\% of PWA in SBA-15, gave 78\% fructose conversion with the highest yield of 70\% towards 5-HMF. Increase in PWA loading up to 20\% resulted in the enhanced fructose conversion of 95\% accompanied by further etherification of 5-HMF to 67 and 12\% yield towards EMF and ethyl levulinate (EL), respectively. Increasing the \% of PWA in SBA-15 matrix resulted in increase in the acidity of the composites giving the yield trend as 5-HMF < EMF < EL. Catalyst prepared by sol-gel method showed excellent recyclability up to 3 reuses}, keywords = {5-(Ethoxymethyl) furfural, 5-(Hydroxymethyl) furfural, Phosphotungstic acid, SBA-15}, issn = {162361}, doi = {10.1016/j.fuel.2017.12.027}, author = {Patil, Chetana R.}, editor = {Rode, Chandrashekhar V.} } @article {44585, title = {Synthesis of heterogeneous Ru(II)-1,2,3-triazole catalyst supported over SBA-15: application to the hydrogen transfer reaction and unusual highly selective 1,4-disubstituted triazole formation via multicomponent click reaction}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3246-3259}, abstract = {In the present study, we demonstrate a simple and efficient method for ligand formation and covalent anchoring to a heterogeneous support via click reaction. The complex tris(triphenylphosphine) ruthenium(II) dichloride [RuCl2(PPh3)(3)] anchored over the click modified ligand of SBA-15 forms a new highly efficient heterogeneous SBA-15-Tz-Ru(II) TPP catalyst. Solid state C-13, Si-29, and P-31 CP-MAS NMR spectra provide evidence for the formation of the heterogeneous catalyst. SBA-15-Tz-Ru(II) TPP catalyst was screened for the multicomponent click cycloaddition reaction in water medium as a green solvent and it exhibited unusual and excellent selectivity for the formation of 1,4-disubstituted triazole product under mild reaction condition. In addition, SBA-15-Tz-Ru(II) TPP catalyst also catalyzed the hydrogen transfer reaction of various carbonyl compounds with excellent catalytic activity to give the corresponding alcohols. The heterogeneous catalyst can be recycled and reused several times (five) without a loss in reactivity.}, doi = {10.1039/c7cy02619f}, author = {Sharma, Priti and Rathod, Jayant and Singh, A. P. and Kumar, Pradeep and Sasson, Yoel} } @article {44495, title = {Synthetic studies towards Pseudoxylallemycin B, an antibiotic active against gram-negative bacteria: total synthesis of 3-epi-Pseudoxylallemycin B}, journal = {Tetrahedron Letters}, year = {2018}, type = {Journal Article}, abstract = {In an attempt towards the total synthesis of Pseudoxylallemycin B, a homo dimeric, N-methylated macrocyclic tetrapeptidic natural product, synthesis of its epimer at position 3 (d-Tyr instead of l-Tyr) is described here. During the course of synthesis we came across a striking yet unusual observation of complete epimerization which led to the formation of 3-epi-Pseudoxylallemycin B.}, keywords = {Cyclic tetrapeptides, Epimerization, Gram-negative bacteria, Macrolactamization, Propyl phosphonic anhydride (T3P)}, doi = {10.1016/j.tetlet.2018.06.028}, author = {Gunjal, Vidya B.}, editor = {Reddy, Shrinivasa D.} } @article {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 {44488, title = {Temperature and pressure dependent Raman spectroscopy of plasma treated multilayer graphene nanosheets}, journal = {Diamond and Related Materials}, volume = {84}, year = {2018}, month = {APR }, pages = {146-156}, type = {Journal Article}, abstract = {

Understanding of the fine structure at the atomic level and properties of graphene by creating defects is important from the point of view of thermal and stress management. Here we report Raman spectroscopic studies on pristine and plasma treated multilayer graphene to explore the remarkable structure and phonon properties with temperature and pressure. Temperature dependent studies illustrate monotonic softening of G and G' bands in the temperature range 78 to 573 K. This process can be of fundamental importance in other promising and emerging nano and heterostructured materials. The pressure dependent Raman spectroscopic investigations on G-band of these samples were carried out up to 25 GPa using a diamond anvil cell. Comparatively weak and more compressible nature of the G band (E2g in-plane mode) as a function of applied pressure is found in plasma treated graphene. After pressure release, the samples recover to their original ordered structure. The present study is important for further understanding of the fine structure, properties and effect of defects in graphene, which can affect the atomic bonds, thermal expansion, specific heat, and thermal conductivity as well.

}, keywords = {graphene, high pressure, Phonon, Plasma treated graphene, Raman spectroscopy}, issn = {9259635}, doi = {10.1016/j.diamond.2018.03.021}, author = {Pawbake, Amit S. and Mishra, K. K. and Machuno, Luis G. B. and Gelamo, Rogerio V. and Ravindranathan, T. R. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article {44484, title = {Temperature dependent electron transport behavior of poly (methyl methacrylate)/silver functionalized reduced graphene oxide films}, journal = {AIP Conference Proceedings}, volume = {1942}, year = {2018}, month = {APR }, type = {Journal Article}, abstract = {

Poly (methyl methacrylate) (PMMA) and silver functionalized reduced graphene oxide film were prepared and were investigated using FTIR and Raman. Electron transport behavior of these samples, at low temperature were studied. The prepared film exhibited a temperature dependent electron transport, at higher temperatures Arrhenius-like temperature dependence of resistance was observed indicating band like electron transport with a small thermal activation energy. At further lower temperatures hopping mechanism of conduction was observed due to the presence of defects. The conduction due to band-like electron transport at higher temperature is attributed to the easier excitation of charge carriers to the conduction band, whereas at lower temperatures conduction occurs through hopping mechanism due to localized states around Fermi level in the presence of defects.

}, issn = {0094243X}, doi = {10.1063/1.5029028}, author = {Asha, S.}, editor = {Ananth, A. Nimrodh} } @article {44480, title = {Thermo thickening behavior of MPEG-b-PCL grafted poly(acrylic acid): a molecular insight}, journal = {Polymer}, volume = {148}, year = {2018}, month = {JUL}, pages = {138-148}, type = {Journal Article}, abstract = {

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

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

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

}, keywords = {Bimetallic catalyst, furfural, Hydrogenation, ring-opening}, issn = {2073-4344}, doi = {10.3390/catal8060252}, author = {Date, Nandan Shreehari and La Parola, Valeria and Rode, Chandrashekhar Vasant and Testa, Maria Luisa} } @article {45485, title = {Total synthesis and biological evaluation of cell adhesion inhibitors peribysin A and B: structural revision of peribysin B}, journal = {Organic letters }, volume = { 20}, year = {2018}, month = {NOV}, pages = {7003-7006}, type = {Article }, abstract = {Total synthesis of potent cell-adhesion inhibitors peribysins A and B has been accomplished for the first time in racemic form. A Diels-Alder/aldol sequence to build the skeleton and decoration of the desired functionalities of the targeted natural products using highly stereoselective operations are the highlights. The structures of synthesized peribysins were fully characterized using spectral data and single-crystal X-ray analysis. Through this total synthesis, the initially proposed structure of peribysin B has been revised. Furthermore, the cell-adhesion inhibition potential of the scaffold (two peribysins + three analogues) was confirmed using anti-adhesion assay.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02838}, author = {Kalmode, Hanuman P. and Handore, Kishor L. and Rajput, Raveena and Shaikh, Samir R. and Gonnade, Rajesh G. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {45380, title = {Total synthesis of an anticancer natural product (+/-)-peharmaline A and its analogues}, journal = { European Journal of Organic Chemistry}, year = {2018}, month = {DEC}, pages = {6453-6456}, type = {Article}, abstract = {

First total synthesis of a rare beta-carboline-vasicinone hybrid alkaloid (+/-)-peharmaline A has been accomplished in just 3 steps starting from known compounds. Stereoselective Pictet-Spengler reaction to nitrogenated tertiary carbon center and one-pot construction of the tricyclic skeleton of vasicinone are the highlights of present synthesis. We have also synthesized structurally close analogues of the natural product by following the developed route.

}, issn = {1434-193X}, doi = {10.1002/ejoc.201800949}, author = {Kulkarni, Akshay S. and Shingare, Rahul D. and Dandela, Rambabu and Reddy, D. Srinivasa} } @article {45414, title = { Total synthesis of notoryne}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12863-12868}, type = {Article}, abstract = {The structure of notoryne comprises a halogenated 2,2{\textquoteright}-bifuranyl moiety along with a terminal cis-enyne unit. In this work, we document the first total synthesis of notoryne, confirming its assigned relative and absolute configurations. The devised route comprises a glucose diacetonide-derived chiral pool intermediate as the starting point and 5-endo bromo-etherification for making the key bis-furan unit, anomeric C-allylation, as well as a relay cross-metathesis to install the cis-enyne unit.}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b01757}, author = {Senapati, Sibadatta and Das, Shyamsundar and Ramana, Chepuri V.} } @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 {44467, title = {Triflic acid-catalyzed metal-free synthesis of (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {MAR}, pages = {6433-6440}, type = {Journal Article}, abstract = {

A TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64{\textendash}94\% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C{\textendash}N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.

}, doi = {10.1039/C7NJ05169G}, author = {Rupanwar, Bapurao D. and Chavan, Santosh S. and Shelke, Anil M. and Suryavanshi, Gurunath M.} } @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 {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 {44369, title = {Visible-light-mediated eosin Y photoredox-catalyzed vicinal thioamination of alkynes: radical cascade annulation strategy for 2-substituted-3-sulfenylindoles}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {MAY}, pages = {2117-2121}, type = {Article}, abstract = {An organic dye photoredox-catalyzed regiospecific radical cascade annulation strategy of 2-alkynyl-azidoarenes to generate 3-sulfenylindoles via vicinal thioamination of alkynes at room temperature, mediated by visible light, was developed. The method requires mild conditions, including visible light as a traceless green energy source, room temperature, eosin Y organic dye as a photoredox catalyst, ambient air as oxidant, and easily available starting materials to provide a green, efficient, metal- and strong-oxidant-free synthesis of 3-sulfenylindoles with broad substrate scope through vicinal thioamination of alkynes.}, doi = {10.1002/ejoc.201800287}, author = {Tambe, Shrikant D. and Rohokale, Rajendra S. and Kshirsagar, Umesh A.} } @article {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 {46324, title = {Access to a stereoisomer library of solomonamide macrocycles}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

In an attempt towards understanding stereo-structure activity relationships (SSARs), we have prepared eight possible stereoisomers of solomonamide macrocycles, in particular, by changing the stereochemical pattern of non-peptide fragment AHMOA. Here, we have demonstrated different ways to construct three contiguous chiral centers present in solomonamide B macrocycle using substrate/reagent-controlled methods. These methods involve Brown crotylation, NHK reaction and Evans aldol addition as key steps to synthesize key non-peptide fragment. Further, these non-peptide fragments were converted to their corresponding macrocycles via ligand-free intramolecular Heck reaction.

}, keywords = {Crotylation, Heck reaction, Inflammation, Macrocycles, Stereochemistry}, issn = {1861-4728}, doi = {10.1002/asia.201901075}, author = {Jachak, Gorakhnath R. and Athawale, Paresh R. and Choudhury, Rahul and Kashinath, K. and Reddy, D. Srinivasa} } @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 {47157, title = {Aromatic polycarbonates bearing pendant maleimide groups via functional monomer approach: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {27}, year = {2019}, month = {DEC}, pages = {8}, type = {Article}, abstract = {

A new bisphenol containing pendant maleimide group, viz., 4, 4{\textquoteright}-(5-maleimidopentane-2, 2-diyl) diphenol (BPA-MA), was synthesized starting from commercially available 4, 4{\textquoteright}-bis (4-hydroxyphenyl) pentanoic acid. Aromatic (co)polycarbonates possessing pendant maleimide groups were synthesized by solution polycondensation of BPA-MA or varying mixtures of BPA-MA and bisphenol-A (BPA) with triphosgene in dry dichloromethane in the presence of triethylamine as a base. Inherent viscosities and number average molecular weights of (co)polycarbonates were in the range 0.46-0.66 dL/g and 24,600-36,700, respectively, indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)polycarbonates. (Co)polycarbonates were characterized using FT-IR, H-1 NMR, C-13 NMR spectroscopy, XRD, TGA and DSC analysis. The chemical modification of a representative copolycarbonate containing pendant maleimide groups was carried out quantitatively using thiol-maleimide Michael addition reaction with two thiol compounds, namely, 4-chlorothiophenol and 1-adamantanethiol. Additionally, it was demonstrated that copolycarbonate containing pendant maleimide groups could be used to form insoluble cross-linked gel by reaction with a multifunctional thiol cross-linker, namely, pentaerythritol tetrakis(3-mercaptopropionate).

}, keywords = {Aromatic polycarbonate, Cross-linking, maleimide group, Thiol-maleimide reaction, Triphosgene}, issn = {1022-9760}, doi = {10.1007/s10965-019-1909-z}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Ichake, Amol B. and Rajamohanan, P. R. and Wadgaonkar, Prakash P.} } @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 {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 {45563, title = {Biosynthesized Co-doped TiO2 nanoparticles based anode for lithium-ion battery application and investigating the influence of dopant concentrations on its performance}, journal = {Composites Part B: Engineering}, volume = {167}, year = {2019}, month = {JUN}, pages = {44-50}, type = {Article}, abstract = {TiO2 is a good alternative anode material for lithium-ion battery application because of its incomparable high structural stability and safety during the charge/discharge cycles. However, the low intrinsic conductivity of TiO2 has been a limiting factor affecting its cycling and rate capability performance. Here in this work, we present Co-doped TiO2 nanoparticles based anode with good reversibility, cycling stability and rate capability performance for its envisaged application in lithium-ion battery. The Co-doped TiO2 nanoparticles with different Co concentrations (3\%, 5\%, and 7\%) are synthesized using simple and economic biomediated green approach, wherein TiCl4 and Co precursors are allowed to react in Bengal gram bean extract containing biomolecules which act as natural capping agents to control the size of nanoparticles. Among the pure TiO2 and different Co-doped TiO2 samples, the 7\% Co-doped TiO2 anode show the highest capacity of 167 mAh g-1 (88.3\%) after 100 cycles at the 0.5C current density. The Co-doped TiO2 shows higher and stable coulombic efficiency up to 100 GCD cycles indicating good reversibility. Based on the results, it is expected that the Co-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity providing an efficient pathway for fast electron transfer.}, doi = {10.1016/j.compositesb.2018.12.001}, author = {Kashale, A. A. and Rasal, A. S. and Kamble, G. P. and Ingole, V. H. and Dwivedi, P. K. and Rajoba, S. J. and Jadhav, L. D. and Ling, Y. C. and Chang, J. Y. and Ghule, A. V.} } @article {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 {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 {45488, title = {CFD modelling of almond drying in a tray dryer}, journal = {Canadian Journal of Chemical Engineering}, volume = {97}, year = {2019}, month = {FEB}, pages = {560-572}, type = {Article}, abstract = {

Drying is important in many food processing applications, and particularly so in the dry fruits industry. This work is focused on developing computational models for simulating the drying of almonds in a tray dryer. It is important to quantitatively understand heat and mass transfer within and around a single almond particle as well as the particle-particle interactions and their implications for dryer design. In this work, we have developed a systematic CFD modelling framework for modelling almond drying in a tray dryer. A single tray filled with almonds (similar to 2 kg) were dried at three set temperatures viz., 55, 65, and 75 degrees C. Air relative humidity at the inlet and outlet locations, and the weight of almonds were measured during drying for each experiment. An additional set of experiments were conducted in which almonds were filled only in the half section of the tray, keeping the other half empty. The same amount of almonds were used, to have multiple layers of almonds in the tray, and the set temperature for the experiment was 75 degrees C. Flow, heat, and mass transfer in the tray dryer were simulated using commercial CFD software Ansys Fluent. The validated computational model was used to simulate various cases including larger and more trays. The developed approach and models will be useful to select the appropriate dryer configuration and optimize its design. The developed models will also be useful to identify suitable operation conditions for the drying of almonds as well as other food products.

}, keywords = {Almonds, CFD, Drying, scale-up, tray dryer}, issn = {0008-4034}, doi = {10.1002/cjce.23357}, author = {Chilka, Amarvir G. and Ranade, Vivek V.} } @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 {45514, title = {Clathrin-mediated endocytosis regulates a balance between opposing signals to maintain the pluripotent state of embryonic stem cells}, journal = {Stem Cell Reports}, volume = {12}, year = {2019}, month = {JAN }, pages = {152-164}, type = {Article}, abstract = {

Endocytosis is implicated in the maintenance of embryonic stem cell (ESC) pluripotency, although its exact role and the identity of molecular players remain poorly understood. Here, we show that the clathrin heavy chain (CLTC), involved in clathrin-mediated endocytosis (CME), is vital for maintaining mouse ESC (mESC) pluripotency. Knockdown of Cltc resulted in a loss of pluripotency accompanied by reduced E-cadherin (E-CAD) levels and increased levels of transforming growth factor beta (TGF-beta) and extracellular signal-regulated kinase (ERK) signaling. We demonstrate that both E-CAD and TGF-beta receptor type 1 (TGF-beta R1) are internalized through CME in mESCs. While E-CAD is recycled, TGF-beta R1 is targeted for lysosomal degradation thus maintaining inverse levels of these molecules. Finally, we show that E-CAD interacts with ERK, and that the decreased pluripotency upon CME loss can be rescued by inhibiting TGF-beta R, MEK, and GSK3 beta, or overexpressing E-CAD. Our results demonstrate that CME is critical for balancing signaling outputs to regulate ESC pluripotency, and possibly cell fate choices in early development.

}, issn = {2213-6711}, doi = {10.1016/j.stemcr.2018.11.018}, author = {Narayana, V, Yadavalli and Gadgil, Chetan and Mote, Ridim D. and Rajan, Raghav and Subramanyam, Deepa} } @article {46114, title = {Clopidogrel eluting electrospun polyurethane/polyethylene glycol thromboresistant, hemocompatible nanofibrous scaffolds}, journal = {Journal of Biomaterials Applications}, volume = {33}, year = {2019}, month = {MAY}, pages = {1327-1347}, type = {Article}, abstract = {

Biomaterials used as blood-contacting material must be hemocompatible and exhibit lower thrombotic potential while maintaining hemostasis and angiogenesis. With the aim of developing thromboresistant, hemocompatible nanofibrous scaffolds, polyurethane/polyethylene glycol scaffolds incorporated with 1, 5, and 10 wt\% Clopidogrel were fabricated and evaluated for their physiochemical properties, biocompatibility, hemocompatibility, and antithrombotic potential. The results of physicochemical characterization revealed the fabrication of nanometer-sized scaffolds with smooth surfaces. The incorporation of both polyethylene glycol and Clopidogrel to polyurethane enhanced the hydrophilicity and water uptake potential of polyurethane/polyethylene glycol/Clopidogrel scaffolds. The dynamic mechanical analysis revealed the enhancement in mechanical strength of the polyurethane/polyethylene glycol scaffolds on incorporation of Clopidogrel. The polyurethane/polyethylene glycol/Clopidogrel scaffolds showed a tri-phasic drug release pattern. The results of hemocompatibility assessment demonstrated the excellent blood compatibility of the polyurethane/polyethylene glycol/Clopidogrel scaffolds, with the developed scaffolds exhibiting lower hemolysis, increased albumin and plasma protein adsorption while reduction in fibrinogen adsorption. Further, the platelet adhesion was highly suppressed and significant increase in coagulation period was observed for Clopidogrel incorporated scaffolds. The results of cell adhesion and cell viability substantiate the biocompatibility of the developed nanofibrous scaffolds with the HUVEC cell viability on polyurethane/polyethylene glycol, polyurethane/polyethylene glycol/Clopidogrel-1, 5, and 10\% at day 7 found to be 12.35, 13.36, 14.85, and 4.18\% higher as compared to polyurethane scaffolds, and the NIH/3T3 cell viability found to be 35.27, 70.82, 36.60, and 7.95\% higher as compared to polyurethane scaffolds, respectively. Altogether the results of the study advocate the incorporation of Clopidogrel to the polyurethane/polyethylene glycol blend in order to fabricate scaffolds with appropriate antithrombotic property, hemocompatibility, and cell proliferation capacity and thus, might be successfully used as antithrombotic material for biomedical application.

}, keywords = {adhesion, cardiovascular, coagulation, electrospinning, Hemocompatible, platelet}, issn = {0885-3282}, doi = {10.1177/0885328219832984}, author = {Shitole, Ajinkya A. and Giram, Prabhanjan S. and Raut, Piyush W. and Rade, Priyanka P. and Khandwekar, Anand P. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {45521, title = {Comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations}, journal = {Chemical Physics}, volume = {516}, year = {2019}, month = {JAN }, pages = {6-14}, type = {Article}, abstract = {

Molecular dynamics simulation is a powerful tool to understand the gas hydrate nucleation, growth, and dissociation at molecular level. Prerequisite of super-cooling during gas hydrate formation and a certain degree of super-healing during melting shows significant hysteresis in the transition between solid and liquid state due to large nucleation barrier. Different water models quantitatively differ in their prediction of thermodynamic and kinetic properties of bulk water, including phase behaviour. The present work carries out a systematic investigation of the effect of the chosen water model on the phase behaviour, in particular, the decomposition of methane hydrate. Void-induced melting has been used to predict the melting point of methane hydrate using TIP4P/Ice, TIP4P/2005, TIP4P, and SPC/E water models. This method avoids the need for a predetermined interface for melting point calculations and thus may have its importance in identifying dissociation kinetics of bulk hydrate.

}, keywords = {decomposition, Gas hydrates, Void-induced melting, Water models}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2018.08.036}, author = {Choudhary, Nilesh and Chakrabarty, Suman and Roy, Sudip and Kumar, Rajnish} } @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 {46273, title = {Crystalline LaCoO3 perovskite as a novel catalyst for glycerol transesterification}, journal = {Molecular Catalysis}, volume = {475}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

LaCoO3 perovskite was synthesized using sol-gel method by nitrate and acetate precursors of La and Co with varying molar ratios of La and Co (1:1, 1:2 and 2:1). This was found to be an unique strategy to obtain highly crystalline LaCoO3 perovskite material without using any chelating agent. The variation of precursors was found to influence their crystallinity however, variation in molar ratio in the range of 0.5-2, did not affect the formation of perovskite framework. The formation of pure perovskite phase (around or \> 80\%) could be achieved by combination of acetate and nitrate precursors while, the combination of acetate- acetate or nitrate- nitrate precursors resulted in low phase purity for the perovskite due to the formation of secondary phases like La2O3 and Co3O4. Very interestingly, such combination of perovskite and pure oxide phases contributed to enhancement of basic sites which catalyzed the glycerol transestrifiaction with DMC (dimethyl carbonate) to GC (glycerol carbonate) and GD (glycidol). Among all the catalysts studied, NAP-2 showed highest efficiency in terms of 98\% glycerol conversion and 77\% GC and 22\% GD selectivities. The highlight of this work is that first step glycerol transesterification with DMC required basic sites of either metal oxide or perovskite but for cascade reaction involving decarboxylation required both metal oxide as well as LaCoO3 perovskite phase.

}, doi = {10.1016/j.mcat.2019.110496}, author = {Phadtare, Deepshree and Kondawar, Sharda and Athawale, Anjali and Rode, Chandrashekhar} } @article {46428, title = {Cyanuric-chloride-mediated synthesis of 2-Aryl-3-tert-butoxycarbonyl-thiazolidine-4-carboxylic acid anilides: mechanistic, X-ray crystal structures and cytotoxicity studies}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {NOV }, pages = {12534-12546}, type = {Article}, abstract = {

The {\textquoteleft}2R,4R{\textquoteright}-2-aryl thiazolidine-4-carboxylic acid anilides (ATCAAs) were synthesized using cyanuric chloride (CC) as a clean and substoichiometric acid-amine coupling agent under optimized reaction conditions. The diesterphenol intermediate based mechanism is proposed and supported by spectral characterization of the intermediate. The single crystal X-ray structures of acid substrate (2R,4R)-3-(tert-butoxycarbonyl)-2-(2-methoxyphenyl)thiazolidine-4-carbox ylic acid (3 a) and anilides (R)-tert-butyl 4-(2-fluorophenylcarbamoyl)thiazolidine-3-carboxylate (4 b), (2R,4R)-tert-butyl 2-(2,6-dichlorophenyl)-4-(m-tolylcarbamoyl)thiazolidine-3-carboxylate (6 b) confirmed the formation of chiral anilides. The synthesized library of anilides [(R)-tert-butyl 4-Aryl thiazolidine-3-carboxylate and (2R,4R)-tert-butyl 2-Aryl-4-Aryl thiazolidine-3-carboxylate] 4 a-6 f was screened for their in vitro anti cancer, neuronal and neuroprotective studies. The anilides 4 b, 4 g, 5 d, 5 h, 6 c and 6 f (where the aryl=2-fluorophenylcarbamoyl, 4-chlorophenylcarbamoyl, 2-methoxyphenyl, 2,5-dichlorophenylcarbamoyl, 2,6-dichlorophenyl, 4-chlorophenylcarbamoyl respectively)were found to be less cytotoxic towards N2 A, SHSY-5Y neuronal cell lines in their differentiated and undifferentiated forms, and also exhibited dose dependant anti-inflammatory properties for a possible identification towards neurodegenerative and inflammatory disorders.

}, keywords = {Acid-amine coupling, Cyanuric chloride, Cytotoxicity, Mechanistic investigations, Single crystal x-ray structure}, issn = {2365-6549}, doi = {10.1002/slct.201903000}, author = {Jagtap, Rohidas M. and Shaikh, Samir R. and Gonnade, Rajesh G. and Raheem, Shabnam and Rizvi, Masood A. and Pardeshi, Satish K.} } @article {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 {46125, title = {Design, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents}, journal = {Bioorganic Chemistry}, volume = {86}, year = {2019}, month = {MAY}, pages = {507-512}, type = {Article}, abstract = {

Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with {\textquoteleft}{\textquoteleft}oxadiazole{\textquoteright}{\textquoteright}. A series of cinnamic acid derivatives (styryl oxadiazoles) were designed and synthesized in good yields by reaction of substituted cinnamic acids (2, 15a-15s) with amidoximes. The synthesized styryl oxadiazoles were evaluated in vitro for anti-tubercular activity against Mycobacterium tuberculosis (Mtb) H37Ra strain. The structure-activity relationship (SAR) study has identified several compounds with mixed anti-tubercular profiles. The compound 32 displayed potent anti-tubercular activity (IC50= 0.045 mu g/mL). Molecular docking studies on mycobacterial enoyl-ACP reductase enzyme corroborated well with the experimental findings providing a platform for structure based hit-to-lead development.

}, keywords = {1, 2, 4-Oxadiazole, Anti-tubercular, Bioisosteres, Cinnamic acid, Molecular docking}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2019.01.054}, author = {Upare, Abhay Atmaram and Gadekar, Pradip K. and Sivaramakrishnan, H. and Naik, Nishigandha and Khedkar, Vijay M. and Sarkar, Dhiman and Choudhari, Amit and Roopan, S. Mohana} } @article {46254, title = { Development of a nano-gold immunodiagnostic assay for rapid on-site detection of invasive aspergillosis }, journal = {Journal of Medical Microbiology}, volume = {68}, year = {2019}, month = {SEP}, pages = {1341-1352}, type = {Article}, abstract = {

Introduction. Timely detection of invasive aspergillosis (IA) caused by fungal pathogens, i.e. Aspergillus fumigatus and Aspergillus flavus, in immunocompromised patients is crucial in preventing high mortality.

Aim. To develop a simple immunoassay for the detection of galactomannan (GM), an IA biomarker.

Methodology. GM from A. fumigatus and A. flavus clinical strains was purified and characterized by X-ray diffraction, IR spectroscopy and C-13/H-1 nuclear magnetic resonance (NMR) for polyclonal antibody (pAb) production in rabbits. An enzyme-linked immunosorbent assay (ELISA) was standardized using concanavalin A to capture Aspergillus GM and pAbs to detect it. Gold nanoparticles (AuNPs) were synthesized and conjugated to pAbs for the development of a dot-blot immunoassay. The developed dot-blot was evaluated with 109 clinical serum and bronchoalveolar lavage samples.

Results. Spectroscopy studies characterized the D-galactofuranosyl groups of GM responsible for the immune response and generation of pAbs. The ELISA employing pAbs showed a sensitivity of 1 ng ml(-1) for Aspergillus GM. Furthermore, a sensitive, visual, rapid dot-blot assay developed by the conjugation of pAbs to AuNPs (similar to 24 +/- 5 nm size, -36 +/- 2 mV zeta potential) had a detection limit of 1 pg ml(-1) in serum. The pAbs interacted with Aspergillus spp. but did not cross-react with other fungal pathogen genera such as Penicillium and Candida. Evaluation of the dot-blot with 109 clinical samples showed high sensitivity (80\%) and specificity (93.2 \%), with an overall assay accuracy of 89\%.

Conclusion. The developed nano-gold immunodiagnostic assay has immense potential for practical use in rapid, specific and sensitive on-site diagnosis of IA, even under resource-limited settings.

}, doi = {10.1099/jmm.0.001040}, author = {Raval, Komal M. and Ghormade, Vandana and Rajamohanan, P. R. and Choudhary, Hansraj and Rudramurthy, Shivaprakash M. and Chakrabarti, Arunaloke and Paknikar, Kishore} } @article {46232, title = {Development of low-cost plant probiotic formulations of functional endophytes for sustainable cultivation of Coleus forskohlii}, journal = {Microbiological Research}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Deployment of plant endophytes at field level is reported to make an impact on agricultural crop productivity; development and deployment of suitable crop specific plant probiotics in a suitable delivery matrix is a value-added task. In our study, we attempted to develop bioformulations of native, fungal endophytes of Coleus forskohlii to improve plant yield using two different carrier-based materials (talc and wheat bran). Initially, fungal endophytes (RF1, SF1, and SF2) were grown on sterilized wheat bran under solid state condition and their growth kinetics and pattern were analyzed by ergosterol content and scanning electron microscope, respectively. 10-day-grown fungal endophytic cultures were used for the development of two types of formulations (wheat bran and talc-based formulations) and tested for their efficacy on host plant, C. forskohlii under field conditions. Interestingly, application of wheat bran-based endophytic formulations significantly (p \< 0.01) enhanced plant height (12-29\%), number of branches (51-63\%), root biomass (26-33\%), photosynthetic pigments (32-101\%), and forskolin content (35-56\%) compared to talc-based formulations under field conditions. Shelf life of endophytes (RF1, SF1, and SF2) in both formulations revealed spore viability in wheat bran-based formulations for 6 months storage period as compared to talc-based formulations. Overall, the present investigation envisages developing plant probiotic bioformulations of functional endophytes of C. forskohlii to enhance root biomass and in planta forskolin content.

}, doi = {10.1016/j.micres.2019.126310}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed and VivekBabu, C. S.} } @article {46333, title = {Development of pristine and Au-decorated Bi2O3/Bi2WO6 nanocomposites for supercapacitor electrodes}, journal = {RSC Advances }, volume = {9}, year = {2019}, month = {OCT }, pages = {32573-32580}, type = {Article}, abstract = {

Pristine and Au-decorated Bi2O3/Bi2WO6 nanocomposites were synthesized via a facile hydrothermal method. Characterization techniques such as XRD, FESEM, HRTEM and XPS were used to explore the structural, morphological and electronic properties. Furthermore, electrochemical characterizations including cyclic voltammetry (CV), the galvanostatic charge-discharge (GCD) method, and electrochemical impedance spectroscopy (EIS) were performed to investigate the supercapacitance behaviour of the synthesized materials. Interestingly, the Au-decorated Bi2O3/Bi2WO6 nanocomposite showed a higher capacitance of 495.05 F g(-1) (1 M aqueous KOH electrolyte) with improved cycling stability (99.26\%) over 2000 cycles, measured at a current density of 1 A g(-1), when compared to the pristine Bi2O3/Bi2WO6 composite (capacitance of 148.81 F g(-1) and good cycling stability (95.99\%) over 2000 cycles at a current density of 1 A g(-1)). The results clearly reveal that the decoration of the Bi2O3/Bi2WO6 composite with Au nanoparticles enhances its supercapacitance behaviour, which can be attributed to an increase in electrical conductivity, good electrical contact between the electrode and electrolyte, and an increase in effective area. The Au-decorated Bi2O3/Bi2WO6 nanocomposite can be considered as an electrode material for supercapacitor application.

}, doi = {10.1039/c9ra06112f}, author = {Gote, Gorkshnath H. and Pathak, Mansi and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46104, title = {Direct thermal polymerization approach to N-rich holey carbon nitride nanosheets and their promising photocatalytic H-2 evolution and charge-storage activities}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {MAY }, pages = {9428-9438}, type = {Article}, abstract = {

Energy conversion and energy storage are two crucial challenges in green chemistry that have attracted tremendous attention for the last several decades. In this work, we have addressed both issues by synthesizing nitrogen-rich, few-layer-thick holey graphitic carbon nitride (g-C3N4) nanosheets by a simple, novel, direct thermal polymerization method, which is found to be very good in photocatalytic H-2 evolution reaction (energy-conversion) and charge-storage supercapacitor (energy-storage) applications. This as-synthesized conjugated polymer semiconductor (obtained stoichiometry C3N4.8) with unique structural and morphological advantages exhibits superior photocatalytic water splitting activity to H-2 evolution (2 620 mu mol h(-1) g(-1)) without the help of any cocatalysts under visible light in the presence of 20\% triethanolamine (TEOA). The calculated apparent quantum yield is 8.5\% at 427 nm, and the rate of photocatalytic hydrogen generation remained constant for nine consecutive catalytic cycles (9 h photocatalysis). The present material also shows electrochemical double layer capacitor (EDLC) behavior in alkaline electrolyte, where a symmetric coin cell device consisting of this electrode material without any large area support or conductive filler delivers high specific capacitance (275 F g(-1)), energy density (30 Wh kg(-1)), and power density (6651 W kg(-1)), and the supercapacitor cell can retain \>98\% capacitance efficiency up to 10 000 measured cycles at various current densities.

}, keywords = {g-C3N4, Hydrogen evolution, nanosheets, Photocatalyst, supercapacitor, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b00626}, author = {Antil, Bindu and Kumar, Lakshya and Reddy, K. P. and Gopinath, C. S. and Deka, Sasanka} } @article {46227, title = {Discovery of a novel oxadiazine derivative of glucocorticoids endowed with DNA binding activities and molecular docking studies}, journal = {Journal of Taibah University for Science}, volume = {13}, year = {2019}, month = {APR}, pages = {536-546}, type = {Article}, abstract = {

A series of new glucocorticoid oxadiazines (4-6) were synthesized by reacting glucocorticoids (1-3) with thiosemicarbazide and its derivatives. The structural assignment of products is confirmed on the basis of IR, H-1 NMR, C-13 NMR, MS and analytical data. The synthesized compounds (4-6) obeyed the Lipinski{\textquoteright}s "Rule of Five" analysis based on a computational prediction of molecular and pharmacokinetic properties. The interaction studies of compounds (4-6) with DNA were carried out by employing single-cell gel electrophoresis (comet assay), UV-vis and fluorescence spectroscopy. Compounds (4-6) were found capable of cellular DNA degradation breakage in isolated normal human lymphocytes. Viscometric and steady-state measurements further correlated with the comet assay studies. Hence, it could be suggested that the glucocorticoid compounds bearing a core oxadiazine scaffold would be a potent biological agent. Molecular docking studies further characterize the interaction of the synthesized compounds with DNA.

}, doi = {10.1080/16583655.2019.1603575}, author = {Sultanat and Ali, Abad and Asif, Mohd and Rizvi, Asim and Farhan, Mohd and Zaman, Shamsuz} } @inbook {47468, title = {Distribution and bioprospecting potential of actinobacteria from Indian mangrove ecosystems}, booktitle = {Microbial Diversity in Ecosystem Sustainability and Biotechnological Applications}, year = {2019}, pages = {319-353}, publisher = {Springer, Singapore}, organization = {Springer, Singapore}, abstract = {Actinobacteria are the ecologically and economically important prokaryotes with the unprecedented ability to produce novel metabolites. They are widely distributed in nature due to their physiological and metabolic versatility. Actinobacteria from marine ecosystem are recognized as a promising source for novel bioactive metabolites. Notably, mangroves are the most fertile and productive marine ecosystem due to their ecophysiological conditions and vast microbial diversity. At the global level, there are many novel actinobacteria which have been reported from mangrove ecosystems and also explored for their bioprospecting potential. However, in India, microbiologists have explored actinobacteria from selected mangrove ecosystems for the past five decades with special reference to culturable diversity and antimicrobial, antimycobacterial, anticancer, and enzymatic activities. So far, around 22 rare actinobacterial genera have been reported from the Indian mangrove ecosystems. However, several other novel actinobacteria with promising bioprospecting potential are yet to be explored. Hence, research on actinobacteria in the Indian mangrove ecosystem is still in its infancy. This chapter will describe the exploratory research work carried out on the importance, diversity, antimicrobial and enzymatic activity, biodegradation, and nanotechnological potency of actinobacteria from the Indian mangrove ecosystems. This chapter will enable researchers to identify the gaps to be bridged for further research on Indian mangrove actinobacteria and exploit their potential to the maximum benefit to mankind.}, isbn = {978-981-13-8315-1}, doi = {10.1007/978-981-13-8315-1_11}, author = {Manikkam, Radhakrishnan and Pati, Premalata and Thangavel, Shanmugasundaram and Venugopal, Gopikrishnan and Joseph, Jerrine and Ramasamy, Balagurunathan and Dastager, Syed G.} } @article {47167, title = {Draft genome sequence of freshwater-derived streptomyces sp. strain BPSDS2, isolated from damte stream, northeast India}, journal = {American Society for Microbiology}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

We report the draft genome sequence of Streptomyces sp. strain BPSDS2, isolated from freshwater sediments in Northeast India. The draft genome has a size of 8.27 Mb and 7,559 protein-coding sequences.

}, doi = {10.1128/MRA.00874-19}, author = {Zothanpuia and Passari, Ajit Kumar and Deka, Vinay and Rajput, Lakshmi P. M. and Priya, Purbajyoti and Dharne, Mahesh and Dastager, Syed and Mathew, Oommen K. and Hashem, Abeer and Abd_ Allah, Elsayed Fathi and Singh, Bhim Pratap} } @article {46145, title = {Dry reforming of methane in DBD plasma over Ni-based catalysts: influence of process conditions and support on performance and durability}, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {APR}, pages = {1801008}, type = {Article}, abstract = {

The conversion of greenhouse gases, H-2 and CO selectivity, H-2/CO ratio, and carbon formation in the dry reforming reaction over Ni-supported ZSM-5, Al2O3, and TiO2 are tested under thermal, plasma, and plasma-thermal conditions. It is observed that the dielectric nature, specific surface area, and acid-base properties of the support influence the performance during the DRM reaction. Typical results indicate that the best activity and syngas yield are achieved with 15Ni/Al2O3 under plasma conditions, possibly due to the high dielectric constant and surface area of Al2O3 and nanosize of Ni. In the thermal condition, the highest conversion of 73\% and 68\% for CH4 and CO2, respectively, is achieved over 15Ni/ZSM-5 at 500 degrees C. Plasma-assisted thermal conditions provide the highest conversion due to the activation of reactants and their partial conversion in the plasma zone before entering into the catalytic zone. The plasma-assisted thermocatalytic conversions of CH4 and CO2 reach the best values of 76\% and 71\%, respectively, on 15Ni/ZSM-5. Under the same conditions, 68\% and 65\% conversion of CH4 and CO2, respectively, is achieved with 15Ni/Al2O3 where the selectivity for H-2 and CO is 45\% and 58\%, respectively.

}, keywords = {DBD plasma, Dry reforming, reaction conditions, supported catalysts, Syngas}, issn = {2194-4288}, doi = {10.1002/ente.201801008}, author = {Ray, Debjyoti and Nepak, Devadutta and Janampelli, Sagar and Goshal, Partha and Subrahmanyam, Ch} } @article {45532, title = {Effect of processing conditions on the rheological properties of blends of ultra high molecular weight polyethylene with high-density polyethylene}, journal = {Polymer Engineering and Science}, volume = {59}, year = {2019}, month = {DEC}, pages = {821-829}, type = {Article}, abstract = {

Blends of high-density polyethylene (HDPE) with small amounts of ultra-high molecular weight polyethylene (UHMWPE) were prepared by melt mixing in a twin-screw microcompounder. Two types of UHMWPE differing in their states of chain entanglement were used. The blend composition, time of mixing, and rotation speed of the screws were varied. Rheological properties of the blends were studied in oscillatory shear and uniaxial elongational tests. Reduction in phase angle measured in dynamic shear rheology and increase in extensional strain hardening were found to be useful indicators for quantifying the extent of mixing of the two components. Although the disentangled UHMWPE showed reasonable mixing with HDPE during typical residence times of melt compounding operations, the entangled UHMWPE remained essentially undissolved. The extent of mixing increased with mixing time and screw speed. POLYM. ENG. SCI., 2018. {\textcopyright} 2018 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.25016}, author = {Chaudhuri, K. and Poddar, S. and Pol, H. and Lele, A. and Mathur, A. and Srinivasa Rao, G.S. and Jasra, R.} } @article {46429, title = {Efficient and convenient route for the synthesis of thiophene-2-carboxamidines as potential inhibitors of nitric oxide synthase (NOS)}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {NOV}, pages = {151254}, type = {Article}, abstract = {

A mild and efficient synthesis of substituted thiophene-2-carboxamidines which are potent inhibitors of nitric oxide synthase (NOS) is reported herein. The key step involves reaction of a BOC-protected imidazolyl thiophene-2-carboxamidine reactive intermediate with various primary amines to form BOC-thio-phene-2-carboxamidines which could be readily deprotected using TFA to furnish free carboxamidines. The method is very mild and tolerates diverse substituents including sensitive peptide and amino acid fragments. This new methodology represents a substantial improvement to the literature method owing to its simplicity and hassle-free purification procedures. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Amidines, Nitric oxide synthase (NOS), Nitric oxide synthase inhibitors, Thiophene-2-carboxamidines}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.151254}, author = {Rashid, P. P. and Singh, Dharmendra and Sanjayan, Gangadhar J.} } @article {46170, title = {Efficient bifunctional reactivity of K-doped CrO(OH) nanosheets: exploiting the combined role of Cr(iii) and surface -OH groups in tandem catalysis}, journal = {Catalysis Science \& Technology}, volume = {9}, year = {2019}, month = {MAR }, pages = {1154-1164}, type = {Article}, abstract = {

This work reports the bifunctional catalytic activity of layered K-doped alpha-CrO(OH). The combined action of the redox active Cr(III) and the surface hydroxyl groups was efficiently used to carry out 2-3 oxidation reactions in tandem followed by condensation/coupling reactions in one pot. Oxidation of benzyl alcohol followed by Knoevenagel condensation or coupling reactions forming C-C and C-N linkages in one pot is demonstrated. The catalyst has been characterized using XRD, IR, TGA, CO2-TPD, cyclic voltammetry, XPS and microscopic techniques to gain insight into the nature of active sites. The role of O- and O2- on the CrO(OH) catalyst in the bifunctional activity was studied using analytical techniques. Recyclability and leaching tests confirmed that K-alpha-CrO(OH) is a stable and environmentally safe catalyst.

}, issn = {2044-4753}, doi = {10.1039/c8cy02345j}, author = {Vernekar, Dnyanesh and Ratha, Satyajit and Rode, Chandrashekhar and Jagadeesan, Dinesh} } @article {46350, title = {Electronic integration and thin film aspects of Au-Pd/rGO/TiO2 for improved solar hydrogen generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {SEP}, pages = {32869-32878}, type = {Article}, abstract = {

In the present work, we have synthesized noble bimetallic nanoparticles (Au-Pd NPs) on a carbon-based support and integrated with titania to obtain Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2 nanocomposites using an ecofriendly hydrothermal method. Here, a 1:1 (w/w) Au-Pd bimetallic composition was dispersed on (a) high-surface-area (3000 m(2) g(-1)) activated carbon (Au-Pd/C), prepared from a locally available plant source (in Assam, India), and (b) reduced graphene oxide (rGO) (Au-Pd/rGO); subsequently, they were integrated with TiO2. The shift observed in Raman spectroscopy demonstrates the electronic integration of the bimetal with titania. The photocatalytic activity of the above materials for the hydrogen evolution reaction was studied under 1 sun conditions using methanol as a sacrificial agent in a powder form. The photocatalysts were also employed to prepare a thin film by the drop-casting method. Au-Pd/rGO/TiO2 exhibits 43 times higher hydrogen (H-2) yield in the thin film form (21.50 mmol h(-1) g(-1)) compared to the powder form (0.50 mmol h(-1) g(-1)). On the other hand, Au-Pd/C/TiO2 shows 13 times higher hydrogen (H-2) yield in the thin film form (6.42 mmol h(-1) g(-1)) compared to the powder form (0.48 mmol h(-1) g(-1)). While powder forms of both catalysts show comparable activity, the Au-Pd/rGO/TiO2 thin film shows 3.4 times higher activity than that of Au-Pd/C/TiO2. This can be ascribed to (a) an effective separation of photogenerated electron-hole pairs at the interface of Au-Pd/rGO/TiO2 and (b) the better field effect due to plasmon resonance of the bimetal in the thin film form. The catalytic influence of the carbon-based support is highly pronounced due to synergistic binding interaction of bimetallic nanoparticles. Further, a large amount of hydrogen evolution in the film form with both catalysts (Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2) reiterates that charge utilization should be better compared to that in powder catalysts.

}, keywords = {bimetal, Photocatalysis, surface plasmon resonance, TiO2, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.9b07070}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala P. and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {46122, title = {Electrospun polycaprolactone/hydroxyapatite/ZnO nanofibers as potential biomaterials for bone tissue regeneration}, journal = {Journal of Materials Science-Materials In Medicine}, volume = {30}, year = {2019}, month = {MAY}, pages = {51}, type = {Article}, abstract = {

Fabricating a bioartificial bone graft possessing structural, mechanical and biological properties mimicking the real bone matrix is a major challenge in bone tissue engineering. Moreover, the developed materials are prone to microbial invasion leading to biomaterial centered infections which might limit their clinical translation. In the present study, biomimetic nanofibrous scaffolds of Poly -caprolactone (PCL)/nano-hydroxyapatite (nHA) were electrospun with 1wt\%, 5wt\%, 10wt\%, 15wt\% and 30wt\% of zinc oxide (ZnO) nanoparticles in order to understand the optimal concentration range of (ZnO) nanoparticles balancing both biocompatibility and osteoregeneration. The developed nanofibrous scaffolds were successfully characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDAX), contact angle, fourier transform infrared spectroscopy (FTIR), wide-angle X-Ray diffraction (WAXD), brunaueremmett Teller (BET) surface area and tensile testing. Biocompatibility of the developed scaffolds at in vitro level was evaluated by culturing MG-63 cells and investigating the impact on cell viability, proliferation, protein adsorption, alkaline phosphatase (ALP) activity and biomineralization. The PCL/nHA scaffolds exhibited a 1.2-fold increase in cell viability and proliferation, while incorporation of ZnO nanoparticles to PCL/nHA imparted antimicrobial activity to the scaffolds with a progressive increase in the antimicrobial efficacy with increasing ZnO concentration. The results of cell viability were supported by ALP activity and mineralization assay, wherein, PCL/nHA/ZnO scaffolds showed higher ALP activity and better mineralization capacity as compared to pristine PCL. Although, the PCL/nHA/ZnO scaffolds with 10, 15 and 30wt\% of ZnO particles exhibited superior antimicrobial efficacy against both gram-negative (E. coli) and gram-positive (S. aureus) bacteria, a significant decrease in the cell viability and mechanical properties was observed at higher concentrations of ZnO namely 15 and 30\%. Amongst the various ZnO concentrations studied optimal cell viability, antimicrobial effect and mechanical strength were observed at 10wt.\% ZnO concentration. Thus, the present study revealed that the biomimetic tri-component PCL/nHA/ZnO scaffolds with ZnO concentration range of10\% could be ideal for achieving optimal biocompatibility (cell proliferation, biomineralization, and antimicrobial capacity) and mechanical stability thus making it a promising biomaterial substrate for bone tissue regeneration. [GRAPHICS] .

}, issn = {0957-4530}, doi = {10.1007/s10856-019-6255-5}, author = {Shitole, Ajinkya A. and Raut, Piyush W. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand P. and Garnaik, Baijayantimala} } @article {46090, title = {Embedding S=1/2 Kagome-like lattice in reduced graphene oxide}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {JUN }, pages = {2663-2668}, type = {Article}, abstract = {

An elegant platform to explore frustrated magnetism is the kagome spin lattice. In this work, clinoatacamite, a naturally occurring S = 1/2 kagome-like antiferromagnetic insulator, is synthesized in water at ambient pressure for the first time from a cuprous chloride (CuCl) precursor whereby Cu(I) was spontaneously oxidized to Cu(II) in the form of clinoatacamite [Cu-2(OH)(3)Cl] with a simultaneous reduction of graphene oxide (GO) to reduced graphene oxide (rGO) in one pot. A stable nanocomposite of phase-pure clinoatacamite nanocrystals embedded in the rGO matrix was isolated. The clinoatacamite-rGO nanocomposite was determined to be magnetically active with a markedly enhanced coercive field of similar to 2500 Oe at S K as well as electronically active with a conductivity value of similar to 200 S.m(-1) at 300 K. Our results illustrate an avenue of combining exotic magnetic and electronic lattices without impeding their individual characteristics and synergistically generating a new class of magnetic semiconductors.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00839}, author = {Gupta, Kriti and Jha, Plawan Kumar and Dadwal, Arun and Debnath, Anil K. and Jaiswal, Ishan and Rana, Shammi and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46213, title = {Enhancing epi-cedrol production in escherichia coli by fusion expression of farnesyl pyrophosphate synthase and epi-cedrol synthase}, journal = {Engineering in Life Science }, year = {2019}, month = {JULY}, type = {Article}, abstract = {

Terpene synthase catalyses acyclic diphosphate farnesyl diphosphate into desired sesquiterpenes. In this study, a fusion enzyme was constructed by linking Santalum album farnesyl pyrophosphate synthase (SaFPPS) individually with terpene synthase and Artemisia annua Epi-cedrol synthase (AaECS). The stop codon at the N-terminus of SaFPPS was removed and replaced by a short peptide (GSGGS) to introduce a linker between the two open reading frames. This fusion clone was expressed in Escherichia coli Rosseta DE3 cells. The fusion enzyme FPPS-ECS produced sesquiterpene 8-epi-cedrol from substrates isopentenyl pyrophosphate and dimethylallyl pyrophosphate through sequential reactions. The K-m values for FPPS-ECS for isopentyl diphosphate was 4.71 mu M. The fusion enzyme carried out the efficient conversion of IPP to epi-cedrol, in comparison to single enzymes SaFPPS and AaECS when combined together in enzyme assay over time. Further, the recombinant E. coli BL21 strain harbouring fusion plasmid successfully produced epi-cedrol in fermentation medium. The strain having fusion plasmid (pET32a-FPPS-ECS) produced 1.084 +/- 0.09 mg/L epi-cedrol, while the strain harbouring mixed plasmid (pRSETB-FPPS and pET28a-ECS) showed 1.002 +/- 0.07 mg/L titre in fermentation medium by overexpression and MEP pathway utilization. Structural analysis was done by I-TASSER server and docking was done by AutoDock Vina software, which suggested that secondary structure of the N- C terminal domain and their relative positions to functional domains of the fusion enzyme was greatly significant to the catalytic properties of the fusion enzymatic complex than individual enzymes.

}, doi = {10.1002/elsc.201900103}, author = {Navale, Govinda R and Sharma, Poojadevi and Said, Madhukar S and Ramkumar, Sudha and Dharne, Mahesh S and Thulasiram, H., V and Shinde, Sandip 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 {46266, title = {Experimental and density functional theory investigations of catechol sensing properties of ZnO/RGO nanocomposites}, journal = {Applied Surface Science}, year = {2019}, month = {NOV}, type = {Article}, abstract = {

Catechol, an essential industrial feedstock is one of the major environmental pollutant which causes several health issues including skin irritation, eye damage and genetic defects. In this work, we have investigated the catechol sensing performance of ZnO/RGO composites for its quantitative detection. ZnO/RGO composite showed superior electron transfer kinetics, sensitivity (162.04 mu A mM cm(-2)) and lower detection limit (47 nM) than that of bare ZnO nanoparticles. Further, the change in the zeta potential towards the lower negative demonstrated the strong electrostatic interaction between ZnO-RGO and catechol where it is converted as 1, 2 Benzoquinone through redox reactions. By using state of the art of Density Functional Theory simulations, we have demonstrated the interaction of catechol molecule on various ZnO clusters and RGO supported ZnO clusters. The strong bonding between p orbital of O atom of catechol and d orbital of Zn atom and its charge transfer facilitate the oxidation of catechol molecule. In the presence of RGO, the binding energy of catechol and charge transfer increases which qualitatively infer that RGO/ZnO exhibits higher sensitivity compared to bare ZnO and in consistency with the experimental observations.

}, doi = {10.1016/j.apsusc.2019.143588}, author = {Ponnusamy, Rajeswari and Venkatesan, Rajiu and Gangan, Abhijeet and Samal, Rutuparna and Chakraborty, Brahmananda and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46149, title = {Exploring the potential of Desmodium gangeticum (L.) DC. extract against spatial memory deficit in rats}, journal = {Pharmacognosy Magazine}, volume = {15}, year = {2019}, month = {APR}, pages = {78-83}, type = {Article}, abstract = {

Background: A few published reports demonstrated the neuroprotective effect of Desmodium gangeticum (L.) DC. in an acute model of dementia. Objective: The purpose of the present study was to evaluate the preclinical efficacy of D. gangeticum against chronic dementia when administered prophylactically. Materials and Methods: Chronic spatial memory deficit was induced in rats by aluminum chloride (AlCl3, 10 mg/kg, i.p.). Treatment with hydroalcoholic whole plant extract of D. gangeticum (DG extract) was initiated 2 week before AlCl3 challenge and continued till the 51(st) day after the challenge, orally at the dose of 400 mg/kg/day. The spatial memory was assessed by Morris water maze test. Hippocampal and frontal cortex acetyl cholinesterase (AChE) and oxidative stress were assessed in diseased rat brains. Results: Chronic administration of AlCl3 produced spatial memory deficit in rats. Memory impairment was manifested in rats as an increase in escape latency and D-quadrant latency whereas a decrease in total time spent in D-quadrant. These behavioral alterations were reversed significantly by the treatment with DG extract. In addition, DG extract significantly increased the island time, indicating memory improvement. DG extract corrected the declined AChE in frontal cortex and altered frontal cortex/hippocampus catalase activity. Phytochemical investigation of the DG extract revealed large content of saponins among the other phytochemicals such as tannins, alkaloids, and flavonoids. Conclusion: These results indicate the possible prophylactic potential of saponin-rich DG extract against chronic memory deficit in rats.

}, keywords = {Acetyl cholinesterase, Aluminum chloride, dementia, Desmodium gangeticum (L) DC, Oxidative stress}, issn = {0973-1296}, doi = {10.4103/pm.pm_501_18}, author = {Changdar, Nilanjan and Ganjhu, Rajesh Kumar and Rijal, Samita and Kumar, Ayush and Mallik, Shanchari Basu and Nampoothiri, Madhavan and Shenoy, Rekha R. and Sonawane, Kiran B. and Rao, Mallikarjuna C. and Mudgal, Jayesh} } @article {45501, title = {Facile production of mesoporous WO3-rGO hybrids for high-performance supercapacitor electrodes: an experimental and computational study}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {JAN}, pages = {2350-2359}, type = {Article}, abstract = {

This work explored a promising supercapacitor electrode material (WO3-rGO hybrids) synthesized via a simplistic one-pot hydrothermal synthesis route. Various analytical studies (X-ray diffraction study, Raman spectroscopy, field emission scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller analysis) were employed in furtherance to explore the structural, morphological, compositional, and surface areal properties of the prepared materials. The enhancement in electrochemical supercapacitive properties were evaluated from pure hexagonal phase WO3 to the various hybrids, depending on the concentration of GO introduced into it, using cyclic voltammetry, galvanostatic charge/discharge, and electrochemical impedance spectroscopy. The WG-80 composite revealed the high rise in capacitance value of 801.6 F/g overcoming the individual capacitance of rGO (71.11 F/g) and WO3 (94.22 F/g) at a current density of 4 A/g with good cycling stability (75.7\%) over 5000 cycles. We have presented quantum capacitance from ab initio calculations and provided theoretical explanation from the orbital interactions.

}, keywords = {Density functional theory, Hydrothermal method, supercapacitor, WO3-rGO hybrids}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.8b05132}, author = {Samal, Rutuparna and Chakraborty, Brahmananda and Saxena, Manav and Late, Dattatray J. and Rout, Chandra Sekhar} } @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 {45486, title = {Flow, mixing, and heat transfer in fluidic oscillators}, journal = {Canadian Journal of Chemical Engineering}, volume = {97}, year = {2019}, month = {FEB}, pages = {542-559}, type = {Article}, abstract = {

There is an increasing emphasis on process intensification and development of compact, intensified reactors and separators in recent years. Significant efforts are being made to develop such intensified reactors and separators without any moving parts. Some of the recent research studies have proven that a liquid-liquid extractor based on the Coanda effect and feedback oscillations exhibit excellent mixing and liquid-liquid contacting. These fluidic oscillators can potentially be used for a variety of other multiphase reactions and systems demanding enhanced mixing and heat and mass transfer. In this work, we have computationally investigated flow, mixing, and heat transfer in fluidic oscillators based on the Coanda effect. Available information on flow and mixing in fluidic oscillators was critically reviewed and key gaps in the available knowledge with respect to the design and optimization of fluidic oscillators were identified. Computational flow models were developed to characterize key flow features like unsteady flows, secondary vortices, and internal recirculation over a range of Reynolds number (Re = 90-1538) for three different oscillator designs. Systematic numerical studies were carried out to quantify different flow regimes, oscillations, and the influence of key geometric parameters on flow, mixing, and heat transfer. Simulated results were critically analyzed and are presented in the form of dimensionless numbers. The approach and results presented in this work will provide useful insights and a systematic basis for extending the applications of the Coanda-based feedback oscillatory devices for a wide range of engineering applications.

}, keywords = {CFD, Coanda effect, fluidic oscillators, heat transfer, mixing}, issn = {0008-4034}, doi = {10.1002/cjce.23377}, author = {Khalde, Chirag M. and Pandit, Ajinkya V. and Sangwai, Jitendra S. and Ranade, Vivek V.} } @article {47153, title = {Fluorescent carbon-dots thin film for fungal detection and bio-labeling applications}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {NOV}, pages = {5829{\textendash}5840}, type = {Article}, abstract = {

The fluorescence properties of CDs, such as high quantum yield, tunability of emission color, and so on, make a strong potential material in various fields. These applications are mainly derived from in situ formation of surface functional groups, high chemical stability, biocompatibility, and easy interaction with substrates, etc. Mostly, the research applications of CDs concentrate on the labeling of biological species, drug delivery, and sensing in consequent biomedical applications. However, the detection of the fungal species/spores present in the environment by using CDs is rarely reported. Herein, we demonstrate CDs-based thin film as a sensor for detection of fungal spores from the environment. The procedure of detection is based on fluorescence, observed in the film of carbon dots deposited on quartz plates by using the Blodgett technique. It is observed that the CDs film shows quenching in the fluorescence intensity by the substrate, namely, fungal spores{\textquoteright} (Aspergillus niger, Penicillium chrysogenum, Alternaria alternata). The effective features of the present detector system are easy fabrication, low cost, high stability, and a green and economical procedure of synthesis. The process of detecting fungal spores even at low concentration from the atmosphere is relatively fast when compared to presently used methods. Finally, real-world feasibility of the sensor film is tested by its successful application for the determination of the presence fungal spores in the environment. Furthermore, CDs have been also successfully applied for the bio-labeling of Staphylococcus aureus (Gram-positive) and Escherichia coli (Gram-negative) bacterial systems.

}, author = {Gaikwad, Aarti and Joshi, Meenal and Patil, Kashinath and Sathaye, Shivaram and Rode, Chandrashekhar V.} } @article {46331, title = {Francisella novicida Cas9 interrogates genomic DNA with very high specificity and can be used for mammalian genome editing}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {116}, year = {2019}, month = {OCT}, pages = {20959-20968}, type = {Article}, abstract = {

Genome editing using the CRISPR/Cas9 system has been used to make precise heritable changes in the DNA of organisms. Although the widely used Streptococcus pyogenes Cas9 (SpCas9) and its engineered variants have been efficiently harnessed for numerous gene-editing applications across different platforms, concerns remain regarding their putative off-targeting at multiple loci across the genome. Here we report that Francisella novicida Cas9 (FnCas9) shows a very high specificity of binding to its intended targets and negligible binding to off-target loci. The specificity is determined by its minimal binding affinity with DNA when mismatches to the target single-guide RNA (sgRNA) are present in the sgRNA:DNA heteroduplex. FnCas9 produces staggered cleavage, higher homology-directed repair rates, and very low nonspecific genome editing compared to SpCas9. We demonstrate FnCas9-mediated correction of the sickle cell mutation in patient-derived induced pluripotent stem cells and propose that it can be used for precise therapeutic genome editing for a wide variety of genetic disorders.

}, keywords = {CRISPR Cas9, gene therapy, Genome editing, iPSCs, sickle cell anemia}, issn = {0027-8424}, doi = {10.1073/pnas.1818461116}, author = {Acharya, Sundaram and Mishra, Arpit and Paul, Deepanjan and Ansari, Asgar Hussain and Azhar, Mohd and Kumar, Manoj and Rauthan, Riya and Sharma, Namrata and Aich, Meghali and Sinha, Dipanjali and Sharma, Saumya and Jain, Shivani and Ray, Arjun and Jain, Suman and Ramalingam, Sivaprakash and Maiti, Souvik and Chakraborty, Debojyoti} } @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} } @inbook {47481, title = {Fundamentals and sensing applications of 2D materials}, number = {A volume in Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Fundamentals and Sensing Applications of 2D Materials provides a comprehensive understanding of a wide range of 2D materials. Examples of fundamental topics include: defect and vacancy engineering, doping and advantages of 2D materials for sensing, 2D materials and composites for sensing, and 2D materials in biosystems. A wide range of applications are addressed, such as gas sensors based on 2D materials, electrochemical glucose sensors, biosensors (enzymatic and non-enzymatic), and printed, stretchable, wearable and flexible biosensors. Due to their sub-nanometer thickness, 2D materials have a high packing density, thus making them suitable for the fabrication of thin film based sensor devices.}, doi = {10.1016/C2017-0-02396-0}, author = {Hywel, Morgan and Rout, Chandra Sekhar and Late, Dattatray J.} } @inbook {47477, title = {Future prospects of 2D materials for sensing applications}, booktitle = {Fundamentals and Sensing Applications of 2D Materials}, number = {Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, pages = {481-482}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Two-dimensional (2D) material attracted significant research interest from the discovery of graphene in 2004. These 2D materials allow a platform for artificial integration of heterostructures with unique platforms that show exotic physical attributes and phenomenon as well as properties and applications. Each layer in 2D materials consist of a covalent bond, a dangling bond-free lattice, and weak van der Waals (vdWs) interaction. This makes it feasible to fabricate lateral and vertical vdWs heterostructures without the constraints of lattice matching and processing compatibility. These vdWs heterostructures open a door for a broad range of applications in electronics, optoelectronics, flexible devices, sensors, and photovoltaics. In this chapter, we have critically assessed the recent developments in 2D materials, the fabrication of heterostructures, and their application for sensing purposes. We conclude with current challenges and ideas concerning future developments in this merging field.}, doi = {10.1016/B978-0-08-102577-2.00014-2}, author = {Morgan, Hywel and Rout, Chandra S. and Late, Dattatray J.} } @article {46229, title = {Glycation of glucose sensitive lysine residues K36, K438 and K549 of albumin is associated with prediabetes}, journal = {Journal of Proteomics}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Prediabetes is a risk factor for the development of diabetes. Early diagnosis of prediabetes may prevent the onset and progression of diabetes and its associated complications. Therefore, this study aimed at the identification of novel markers for efficient prediction of prediabetes. In this pursuit, we have evaluated the ability of glycated peptides of albumin in predicting prediabetes. Glycated peptides of in vitro glycated albumin were characterized by data dependent acquisition and parallel reaction monitoring using LC-HRMS. Amongst 14 glycated peptides characterized in vitro, four peptides, particularly, FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438, and K549, respectively showed significantly higher abundance in prediabetes than control. Additionally, the abundance of three of these peptides, namely K(AML)QTALVELVK, K(CML)VPQVSTPTLVEVSR and FK(CML)DLGEENFK was \>1.8-fold in prediabetes, which was significantly higher than the differences observed for FBG, PPG, and HbA1c. Further, the four glycated peptides showed a significant correlation with FBG, PPG, HbA1c, triglycerides, VLDL, and HDL. This study supports that glycated peptides of glucose sensitive lysine residues K36, K438 and K549 of albumin could be potentially useful markers for prediction of prediabetes. SIGNIFICANCE: Undiagnosed prediabetes may lead to diabetes and associated complications. This study reports targeted quantification of four glycated peptides particulary FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438 and K549 respectively by parallel reaction monitoring in healthy and prediabetic subjects. These peptides showed significantly higher abundance in prediabetes than healthy subjects, and showed significant correlation with various clinical parameters including FBG, PPG, HbA1c, and altered lipid profile. Therefore, together these four peptides constitute a panel of markers that can be useful for prediction of prediabetes.

}, doi = {10.1016/j.jprot.2019.103481}, author = {Rathore, R. and Sonwane, B. P. and Jagadeeshaprasad, M. G. and Kahar, S. and Santhakumari, B. and Unnikrishnan, A. G. and Kulkarni, Mahesh J.} } @article {47177, title = {Highly flexible mechanical energy harvester based on nylon 11 ferroelectric nanocomposites}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {JUL}, pages = {1998{\textendash}2005}, type = {Article}, abstract = {

We report here a flexible piezoelectric energy harvester using castor-oil-derived nylon 11 and biomass-derived cellulose nanocrystals (CNC). Using a simple solution casting process, we were able to fabricate flexible large area nylon 11 and composite films. Neat nylon 11 films crystallized predominantly in the α- phase. Incorporation of CNC at a low concentration of 2{\textendash}5 wt \% resulted in almost complete transition of α-phase to polar γ-phase, which could be attributed to strong hydrogen bonding interactions between CNC and amide groups in nylon 11. This remarkable shift in crystallization behavior also led to enhanced piezoelectric performance. We also found that the addition of 5 wt \% glycerol (on the dry weight of nylon 11 or composite) enhanced the flexibility of the film. Energy harvesting devices made from 5 wt \% nylon 11/CNC films showed about 2.6 times higher output voltage as compared to neat nylon 11 devices under similar impact conditions, and the effect was durable over 800 cycles. These devices were also used to charge a 10 μF polarized capacitor, and we found that the 5 wt \% nylon 11/CNC devices charged up to 3.78 V in 90 s, which is 2.8 times higher than nylon 11 devices. To the best of our knowledge, this is the first report on nylon 11 nanocomposites, where cellulose nanocrystals have been used to enhance the electroactive γ phase in nylon 11 and yield such high piezoelectric performance.

}, author = {Ram, Farsa and Radhakrishnan, Sithara and Ambone, Tushar and Shanmuganathan, Kadhiravan} } @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 {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} } @article {46068, title = {Impact of plasticizer addition on molecular properties of polybutadiene rubber and its manifestations to glass transition temperature}, journal = {Macromolecular Theory and Simulations}, volume = {28}, year = {2019}, month = {JUL}, pages = {1900003}, type = {Article}, abstract = {

Effect of blending low and high T-g polymer on the structural, spatial, and temporal properties of the polybutadiene rubber are investigated using molecular dynamics simulations. It is elucidated that smaller chain length counterpart of polybutadiene (5mer-OB) acts as plasticizer for the polybutadiene rubber matrix (32mer-PB). Observed flexibility at macroscopic level by plasticizer addition is corroborated at the molecular level in the form of lower conformational rigidity and faster diffusion of polybutadiene chains in the mixtures. It is inferred that plasticizers decreases T-g of the matrix, due to cooperative influence of decreased chain packing and rigidity. Opposite effect is observed in mixtures with high T-g polymer, polystyrene. T-g of the mixtures showed substantial dependence on the type, concentration, chain length as well as miscibility of plasticizers in the matrix. However, the effect of increasing chain length is more pronounced but counter-controlled by the spatially heterogeneous distribution of the plasticizer. Clustering of polystyrene chains induced significant dynamic heterogeneity in the homogeneous polybutadiene matrix, which apparently lead to reduced plasticization effect. Addition of plasticizers in rubber induce discernible changes in the structural and dynamic properties of the rubber matrix, which manifest as the variation in glass transition and explains the real-life activity of plasticizers.

}, keywords = {Glass transition temperature, MD Simulation, plasticizer action, polybutadiene rubber, Polystyrene, spatial and dynamic heterogeneity}, issn = {1022-1344}, doi = {10.1002/mats.201900003}, author = {Sharma, Pragati and Roy, Sudip and Karimi-Varzaneh, Hossein Ali} } @article {45552, title = {Influence of nanocellulose on mechanics and morphology of polyvinyl alcohol xerogels}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {90}, year = {2019}, month = {FEB}, pages = {275-283}, type = {Article}, abstract = {

Xerogels are porous networks of crosslinked polymers that are useful for biomedical applications such as drug delivery, scaffold engineering, tissue regeneration, cell culture and wound dressing. However, inferior mechanical properties curtail their applications to a considerable extent. Nanocellulose fibers and crystals are often added into the polymer matrix to improve their mechanical strength. Here, nanocellulose in the mass ratios of 7\%, 13\% and 18\% are loaded into polyvinyl alcohol (PVA) matrix followed by thermo-morpho-mechanical characterization. With increase in nanocellulose content, thermal degradation occurs at a lower temperature. It is observed that addition of higher quantity of nanocellulose crystals leads to the formation of weak cellulose rich regions causing xerogel rupture. This is predominantly observed for xerogel loaded with 18\% nanocellulose crystals. Similarly, addition of higher quantity of nanocellulose fibers increase brittleness of the xerogels causing fracture. This is predominantly observed for xerogel loaded with 18\% nanocellulose fibers. Creep strain and stress relaxation is observed to decrease with addition of nanocellulose loading owing to molecular chain restriction and polymer chain immobility.

}, keywords = {Mechanics, Morphology, Nanocellulose, Xerogels}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2018.10.024}, author = {Pramanik, R. and Ganivada, B. and Ram, Farsa and Shanmuganathan, Kadhiravan and Arockiarajan, A.} } @article {46287, title = {Inorganic metal iodide mediated solution phase surface passivation for quantum dot solar cell}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {30}, year = {2019}, month = {SEP}, pages = {16234-16243}, type = {Article}, abstract = {

The recent advancements in solution phase surface passivation of quantum dots (QDs) enable the development of production compatible QD ink for their large-area deposition, of a single coating. Surface passivation and colloidal stability of the QDs in polar solvents have been achieved using inorganic-organic hybrid halometallate ligands. The inorganic halometallate anions bind to the unsaturated metal sites of the QD surface, while the organic counter cations provide the colloidal stability and charge balance to the QDs. Organic ligands is a reason for concern though for the stability of the QD solar cells processed from solution-phase ligand exchange. Here, we report a solution-phase ligand exchange strategy using alkali metal halides as a substitution for the organic counterpart to facilitate solution-phase ligand exchange using all-inorganic halometallate ligands. Considering the limited solubility of the alkali halides in organic solvents a two-stage ligand-exchanged process has been commenced to help remove the excess ligands, preserve the electronic purity and allow the formation of highly passivated QD films from solution-phase deposition. A twofold increase in solar cell performance is shown with the help of the modified ligand exchange approach. The solar cell properties are further analysed through detailed characterizations of the QD solar cells.

}, doi = {10.1007/s10854-019-01992-9}, author = {Tulsani, Srikanth Reddy and Ganguly, Saptam and Rath, Arup K.} } @article {45594, title = {Insect-repellent and mosquitocidal effects of noreremophilane- and nardoaristolone-based compounds}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {2188{\textendash}2195}, type = {Article}, abstract = {

Here, we disclose novel mosquito-repellent synthetic hydrindanes based on noreremophilanes and nardoaristolone B which show increased activity against adult females of Aedes aegypti. The noreremophilanes and nardoaristolone B with hydrindane skeleton are structurally related to nootkatone with decalin skeleton, a well-studied natural product extracted from a grape fruit. Out of our library of compounds synthesized based on the noreremophilanes and nardoaristolone B scaffolds, NDS-100598 (compound 20) exhibits higher repellent and knock-down effects at a very low concentration (0.25 mg/cm2), while a few analogues showed considerably enhanced activity compared to racemic nootkatone. This is the first report documenting insect-repellent and knock-down activity of the noreremophilanes class of compounds.

}, doi = {10.1021/acsomega.8b03652}, author = {Handore, K. L. and Kalmode, H. P. and Sayyad, S. and Seetharamsingh, B. and Gathalkar, G. and Padole, S. and Pawar, P. V. and Joseph, M. and Sen, A. and Reddy, D. S.} } @article {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.} } @inbook {47474, title = {Introduction}, booktitle = {Fundamentals and Sensing Applications of 2D Materials}, number = {Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, pages = {1-3}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {The book provides comprehensive and updated research contribution about advances in synthesis/growth of 2D materials for various sensor applications, their working principles, and mechanism behind the sensor as well physics and chemistry of materials.}, doi = {10.1016/B978-0-08-102577-2.00001-4}, author = {Morgan, Hywel and Rout, Chandra S. and Late, Dattatray J.} } @article {46182, title = {Iridium(III)-catalyzed alkynylation of 2-(Hetero)arylquinazolin-4-one scaffolds via C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {MAR }, pages = {2951-2961}, type = {Article}, abstract = {

The directed C-H alkynylation of 2-(hetero)arylquinazolin-4-ones has been explored with the ethynylbenziodoxolone reagent TIPS-EBX employing an Ir(III) catalyst. Complementary conditions for either monoalkynylation or dialkynylation have been developed. Also demonstrated is the broad scope of this reaction and the compatibility of various functional groups such as -F, -Cl, -Br, -CF3, -OMe, -NO2, and alkyl, etc.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02738}, author = {Rohokale, Rajendra S. and Kalshetti, Rupali G. and Ramana, Chepuri V.} } @article {47162, title = {Isolation and molecular characterization of thermophilic coprophilous fungus malbranchea cinnamomea GSMBKU from goat dung}, journal = {Journal of Pure and Applied Microbiology}, volume = {13}, year = {2019}, month = {DEC}, pages = {2227-2233}, abstract = {

Thermophilic fungi, found in the varied habitats are valuable sources for potential enzymes and other biochemical metabolites throwing challenges to the mycologists. A study of such fungi will not only enables the biochemists, microbiologists, and the biotechnologists to understand the basic molecular process but also search for novel genes, gene products and reactions. In this study, Malbranchea cinnamomea was isolated from goat dung and characterized based on its morphological and physiological characters, and later confirmed molecularly.

}, doi = {10.22207/JPAM.13.4.36 }, author = {Ajmera, Shanthipriya and Rao, V. Koteswara and Ranipadmini, V. and Merugu, Ramchander and Girisham, Sivadevuni} } @article {45553, title = {Kinetics of cinnamaldehyde hydrogenation in four phase system}, journal = {Chemical Engineering Journal}, volume = {377}, year = {2019}, month = {DEC}, pages = {Article Number: UNSP 120512}, type = {Article}, abstract = {

The kinetics of cinnamaldehyde hydrogenation in four phase system viz. gas (hydrogen)-liquid (cinnamaldehyde + toluene)-liquid (aqueous KOH)-solid (catalyst, 5\% Pt/C), [GLLS] system has been studied in this work. As reported, addition of aqueous alkali in hydrogenation of unsaturated aldehydes like cinnamaldehyde shifts selectivity towards unsaturated alcohol, cinnamyl alcohol. The promotion action by alkali metals for improving selectivity towards cinnamyl alcohol involves changes in the adsorption mechanism of the cinnamaldehyde in a way that CO bond get preferentially hydrogenated. In cinnamaldehyde hydrogenation in presence of promoters two different catalytic sites can be considered, each for CO and CC bond hydrogenation. In accordance with this consideration and as demonstrated in various studies on hydrogenation of unsaturated aldehydes, further hydrogenation of intermediate-cinnamyl alcohol (CC bond hydrogenation) occurs on Pt only sites while cinnamaldehyde and intermediate hydrocinnamaldehyde (both involving CO bond hydrogenation) are hydrogenated on catalytic sites affected by promoters. This preferential adsorption and hydrogenation through CO bond leads to the increased selectivity of cinnamyl alcohol. Although, many authors have studied cinnamaldehyde hydrogenation using various promoters, there are very few reports on kinetics in which this two site approach behind promotion action has been considered. The effect of various operating parameters on the rates of hydrogenation was studied and the two site Langmuir-Hinshelwood type of kinetic model was used for evaluating the kinetic parameters by fitting experimental data. The thermodynamic model for estimating the solubility of hydrogen in the reaction mixture was incorporated with this kinetic model.

}, doi = {10.1016/j.cej.2018.11.210}, author = {Khan, M. and Joshi, S. and Ranade, V.} } @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 {46133, title = {Lithium speciation in the LiPF6/PC electrolyte studied by two dimensional heteronuclear overhauser enhancement and pulse field gradient diffusometry NMR}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {APR}, pages = {9661-9672}, type = {Article}, abstract = {

Electrolytic dissociation of lithium hexafluorophosphate (LiPF6) in the nonaqueous cyclic propylene carbonate (PC) has been investigated in the wide range of concentration (0.05-3.5 M) by Li-7 solution-state nuclear magnetic resonance (NMR) spectroscopy. Two-dimensional heteronuclear Overhauser enhancement spectroscopy NMR experiments have not only enabled the cation solvation and ion-pairing to be directly monitored but additionally evidence anion solvent interaction at higher concentrations (\>1.2 M) of the PC electrolyte. Preliminary analysis of kinetic nOe data has been made to determine site-dependent cross-relaxation rates for the spatial interaction of the solvent with the Li+ cation and the PF6- anion. The concentration dependence of the Li-7 NMR self-diffusion coefficient (D-self), determined using very strong pulsed magnetic field gradients (similar to 1700 Gauss/cm), depicts two breaks to mark the solvation and ion-pairing events in a distinct manner. This in turn has aided the determination of solvent coordination number and average sizes of solvated and ion-paired clusters. Our results indicate that in the contact ion pair (CIP)-dominated electrolyte (\>2 M), lithium-ion mobility across the solvated and ion-paired environments appears to be inhibited which makes the spectral distinction of solvated and ion-paired environments possible. The concentration dependence of the Li-7 NMR spectral and diffusometry data is in striking correspondence with that of bulk conductivity measurements and point to the detrimental effect of CIP aggregates in impeding the ionic conductivity at high salt concentrations. These results have significance in understanding the structure and dynamics of lithium-ion solvates that are ubiquitous in the working environment of a lithium-ion battery.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b11599}, author = {Kumar, Vikas and Reddy, R. Ravikanth and Kumar, B. V. N. Phani and Avadhani, Chilukuri V. and Ganapathy, Subramanian and Chandrakumar, Narayanan and Sivaram, Swaminathan} } @article {46085, title = {Manganese-catalyzed direct C-C coupling of -C-H bonds of amides and esters with alcohols via hydrogen autotransfer}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7094-7099}, type = {Article}, abstract = {

Herein we report an efficient manganese-catalyzed C-alkylation of unactivated amides and tert-butyl acetate using alcohols as alkylating agents. This elegant approach exhibits a broad substrate scope providing the C-C coupled products of amides via a hydrogen auto-transfer strategy using aryl, heteroaryl, and aliphatic alcohols.

}, issn = {1477-9226}, doi = {10.1039/c8dt05020a}, author = {Rana, Jagannath and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {46005, title = {Metagenomic insights to understand transient influence of Yamuna River on taxonomic and functional aspects of bacterial and archaeal communities of River Ganges}, journal = {Science of the Total Environment}, volume = {674}, year = {2019}, month = {JUL}, pages = {288-299}, type = {Article}, abstract = {

River confluences are interesting ecosystems to investigate for their microbial community structure and functional potentials. River Ganges is one of the most important and holy river of India with great mythological history and religious significance. The Yamuna River meets Ganges at the Prayagraj (formerly known as Allahabad), India to form a unique confluence. The influence of Yamuna River on taxonomic and functional aspects of microbiome at this confluence and its downstream, remains unexplored. To unveil this dearth, whole metagenome sequencing of the microbial (bacterial and archaeal) community from the sediment samples of December 2017 sampling expedition was executed using high throughput MinION technology. Results revealed differences in the relative abundance of bacterial and archaeal communities across the confluence. Grouped by the confluence, a higher abundance of Proteobacteria and lower abundance of Bacteroidetes and Firnacutes was observed for Yamuna River (G15Y) and at immediate downstream of confluence of Ganges (G15DS), as compared to the upstream, confluence, and farther downstream of confluence. A similar trend was observed for archaeal communities with a higher abundance of Euryarchaeoto in G15Y and G15DS, indicating Yamuna River{\textquoteright}s influence. Functional gene(s) analysis revealed the influence of Yamuna River on xenobiotic degradation, resistance to toxic compounds, and antibiotic resistance interceded by the autochthonous microbes at the confluence and succeeding downstream locations. Overall, similar taxonomic and functional profiles of microbial communities before confluence (upstream of Ganges) and farther downstream of confluence, suggested a transient influence of Yamuna River. Our study is significant since it may be foundational basis to understand impact of Yamuna River and also rare event of mass bathing on the microbiome of River Ganges. Further investigation would be required to understand, the underlying cause behind the restoration of microbial profiles post-confluence farther zone, to unravel the rejuvenation aspects of this unique ecosystem. (C) 2019 Elsevier B.A. All rights reserved.

}, keywords = {Confluence zone, Ganges, Metagenomics, Transient influence, Yamuna}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2019.04.166}, author = {Samson, Rachel and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Rajput, Vinay and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @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 {46296, title = {Micro-Raman investigations on zirconium oxide film during swift heavy ion irradiation to study crystalline-to-crystalline phase transformation kinetics by cascade overlap model}, journal = {Journal of Applied Physics}, volume = {126}, year = {2019}, month = {JUL}, pages = {025901}, type = {Article}, abstract = {

In situ micro-Raman studies are reported to monitor the evolution of the tetragonal phase in a monoclinic zirconium oxide thin film under swift heavy ion irradiation with increasing ion fluences. Structural changes in the irradiated film are observed as compared to the virgin sample, evident from an evolution of the tetragonal phase beyond critical ion fluence. The interpretation of experimental data allows for an in-depth understanding of irradiation induced stiffening of phonon and crystalline-to-crystalline phase transformation in ZrO2 thin films. Irradiation induced peak broadening and uniform shifting of fundamental Raman modes are observed mainly in the anion (i. e., oxygen atom) dominant frequency region and give a direct indication of the accumulation of structural disorder in the oxygen sublattice of the ZrO2 film. A qualitative approach is followed to understand the kinetics of such a crystalline-to-crystalline phase transformation. Experimental results reveal that the cascade overlap model with the requirement of about six multiple ion impacts provides an excellent fit to data, and the same is further confirmed by x-ray diffraction data. Thus, this study suggests that such in situ studies envisage a better and more authentic insight into the kinetics of phase transformations under similar nonequilibrium conditions.

}, issn = {0021-8979}, doi = {10.1063/1.5090309}, author = {Singh, Fouran and Rawat, Mukesh and Gautam, Subodh K. and Ojha, Sunil} } @article {47168, title = {Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal}, journal = {Chinese Journal of Chemical Engineering}, volume = {27}, year = {2019}, month = {SEP}, pages = {2074-2080}, type = {Article}, abstract = {

In the current work, molecular dynamics simulation is employed to understand the intrinsic growth of carbon dioxide and methane hydrate starting from a seed crystal of methane and carbon dioxide respectively. This comparison was carried out because it has relevance to the recovery of methane gas from natural gas hydrate reservoirs by simultaneously sequestering a greenhouse gas like CO2. The seed crystal of carbon dioxide and methane hydrate was allowed to grow from a super-saturated mixture of carbon dioxide or methane molecules in water respectively. Two different concentrations (1:6 and 1:8.5) of CO2/CH4 molecules per water molecule were chosen based on gas-water composition in hydrate phase. The molecular level growth as a function of time was investigated by all atomistic molecular dynamics simulation under suitable temperature and pressure range which was well above the hydrate stability zone to ensure significantly faster growth kinetics. The concentration of CO2 molecules in water played a significant role in growth kinetics, and it was observed that maximizing the CO2 concentration in the aqueous phase may not result in faster growth of CO2 hydrate. On the contrary, methane hydrate growth was independent of methane molecule concentration in the aqueous phase. We have validated our results by performing experimental work on carbon dioxide hydrate where it was seen that under conditions appropriate for liquid CO2, the growth for carbon dioxide hydrate was very slow in the beginning. (C) 2019 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.

}, keywords = {Cage dynamics, CH4 recovery, CO2 sequestration, F-4 order parameter, kinetics, Natural gas hydrate, Thermodynamics}, issn = {1004-9541}, doi = {10.1016/j.cjche.2019.02.006}, author = {Nakate, Prajakta and Ghosh, Bappa and Das, Subhadip and Roy, Sudip and Kumar, Rajnish} } @article {46250, title = { Molybdenum carbide catalyst for the reduction of CO2 to CO: surface science aspects by NAPPES and catalysis studies }, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {12199-12209}, type = {Article}, abstract = {

Carbon dioxide is a greenhouse gas, and needs to be converted into one of the useful feedstocks, such as carbon monoxide and methanol. We demonstrate the reduction of CO2 with H-2 as a reducing agent, via a reverse water gas shift (RWGS) reaction, by using a potential and low cost Mo2C catalyst. Mo2C was evaluated for CO2 hydrogenation at ambient pressure as a function of temperature, and CO2 : H-2 ratio at a gas hourly space velocity (GHSV) of 20 000 h(-1). It is demonstrated that the Mo2C catalyst with 1 : 3 ratio of CO2 : H-2 is highly active (58\% CO2 conversion) and selective (62\%) towards CO at 723 K at ambient pressure. Both properties (basicity and redox properties) and high catalytic activity observed with Mo2C around 700 K correlate well and indicate a strong synergy among them towards CO2 activation. X-ray diffraction and Raman analysis show that the Mo2C catalyst remains in the beta-Mo2C form before and after the reaction. The mechanistic aspects of the RWGS reaction were determined by near-ambient pressure X-ray photoelectron spectroscopy (NAPXPS) with in situ generated Mo2C from carburization of Mo-metal foil. NAPXPS measurements were carried out at near ambient pressure (0.1 mbar) and various temperatures. Throughout the reaction, no significant changes in the Mo2+ oxidation state (of Mo2C) were observed indicating that the catalyst is highly stable; C and O 1s spectral results indicate the oxycarbide species as an active intermediate for RWGS. A good correlation is observed between catalytic activity from atmospheric pressure reactors and the electronic structure details derived from NAPXPS results, which establishes the structure-activity correlation.

}, doi = {10.1039/c9dt01774g}, author = {Reddy, Kasala Prabhakar and Dama, Srikanth and Mhamane, Nitin B. and Ghosalya, Manoj K. and Raja, Thirumalaiswamy and Satyanarayana, Chilukuri V. and Gopinath, Chinnakonda S.} } @article {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 {47170, title = {Nanocellulose reinforced polymer composites as flexible mechanical energy harvesters}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {258}, year = {2019}, month = {AUG}, type = {Meeting Abstract}, issn = {0065-7727}, author = {Shanmuganathan, Kadhiravan and Ram, Farsa} } @article {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 {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 {46292, title = {One-pot Au [III]-/lewis acid catalyzed cycloisomerization of nitroalkynes and [3+3]cycloaddition with donor-acceptor cyclopropanes}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {AUG}, pages = {6221-6224}, type = {Article}, abstract = {

A one-pot protocol for the synthesis of a tricyclic pseudoindoxyl scaffold from 2-nitroalkynylbenzenes, comprising of an Au(III)-catalyzed nitroalkyne cycloisomerization leading to isatogen and its [3 + 3]-cycloaddition with donor-acceptor cyclopropanes mediated by a suitable Lewis acid, has been developed.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02035}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @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 {46277, title = {Oxidative Olefination of Benzylamine with an Active Methylene Compound Mediated by Hypervalent Iodine (III)}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

Hypervalent iodine-mediated oxidative olefination of amines with an active methylene compound provides a rapid gateway towards the formation of electrophilic alkenes under mild reaction conditions in good to excellent yields. This is an efficient protocol for the preparation of substituted electrophilic alkenes.

}, doi = {10.1002/ejoc.201900970}, author = {Rupanawar, Bapurao D. and Veetil, Sruthi M. and Suryavanshi, Gurunath} } @article {45620, title = {Paintable room-temperature phosphorescent liquid formulations of alkylated bromonaphthalimide}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2284-2288}, type = {Article}, abstract = {Organic phosphors have been widely explored with an understanding that crystalline molecular ordering is a requisite for enhanced intersystem crossing. In this context, we explored the room-temperature phosphorescence features of a solvent-free organic liquid phosphor in air. While alkyl chain substitution varied the physical states of the bromonaphthalimides, the phosphorescence remained unaltered for the solvent-free liquid in air. As the first report, a solvent-free liquid of a long swallow-tailed bromonaphthalimide exhibits room-temperature phosphorescence in air. Doping of the phosphor with carbonyl guests resulted in enhanced phosphorescence, and hence a large-area paintable phosphorescent liquid composite with improved lifetime and quantum yield was developed.}, doi = {10.1002/anie.201811834}, author = {Goudappagouda and Manthanath, A. and Wakchaure, V. C. and Ranjeesh, K. C. and Das, T. and Vanka, K. and Nakanishi, T. and Babu, S. S.} } @article {46438, title = {Pathways to defense metabolites and evading fruit bitterness in genus Solanum evolved through 2-oxoglutarate-dependent dioxygenases}, journal = {Nature Communications}, volume = {10}, year = {2019}, month = {NOV}, pages = {5169}, type = {Article}, abstract = {

The genus Solanum comprises three food crops (potato, tomato, and eggplant), which are consumed on daily basis worldwide and also producers of notorious anti-nutritional steroidal glycoalkaloids (SGAs). Hydroxylated SGAs (i.e. leptinines) serve as precursors for leptines that act as defenses against Colorado Potato Beetle (Leptinotarsa decemlineata Say), an important pest of potato worldwide. However, SGA hydroxylating enzymes remain unknown. Here, we discover that 2-OXOGLUTARATE-DEPENDENT-DIOXYGENASE (2-ODD) enzymes catalyze SGA-hydroxylation across various Solanum species. In contrast to cultivated potato, Solanum chacoense, a widespread wild potato species, has evolved a 2-ODD enzyme leading to the formation of leptinines. Furthermore, we find a related 2-ODD in tomato that catalyzes the hydroxylation of the bitter a-tomatine to hydroxytomatine, the first committed step in the chemical shift towards downstream ripening-associated non-bitter SGAs (e.g. esculeoside A). This 2-ODD enzyme prevents bitterness in ripe tomato fruit consumed today which otherwise would remain unpleasant in taste and more toxic.

}, issn = {2041-1723}, doi = {10.1038/s41467-019-13211-4}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Heinig, Uwe and Jozwiak, Adam and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Pliner, Margarita and Unger, Tamar and Wolf, Dalia and Ofner, Itai and Vilaprinyo, Ester and Meir, Sagit and Davydov, Olga and Gal-On, Amit and Burdman, Saul and Giri, Ashok and Zamir, Dani and Scherf, Tali and Szymanski, Jedrzej and Rogachev, Ilana and Aharoni, Asaph} } @article {46343, title = {Phase transfer ceria-supported nanocatalyst for nitrile hydration reaction}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {OCT }, pages = {16037-16044}, type = {Article}, abstract = {

The present study elaborates the catalytic effect of rare-earth metal oxides (Sm2O3 and La2O3) over ceria as a support phase transfer catalyst. The synthesized catalysts have been subjected to different characterization techniques, such as field-emission scanning electron microscopy, high-resolution transmission electron microscopy, powder X-ray diffraction, N-2 adsorption-desorption (BET surface analysis), temperature-programmed desorption study (NH3/CO2-TPD), Fourier transform infrared, Raman analysis, and X-ray photoelectron spectroscopy to get better insights into the catalytic activity of the catalysts for hydration of nitrile.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b02173}, author = {Gupta, Nikitra N. and Punekar, Amrin S. and Raj, Karthik Raja E. K. and Ghodekar, Medha M. and Patil, Vipul S. and Gopinath, Chinnakonda S. and Raja, Thirumalaiswamy} } @article {46251, title = { Phosphite-Catalyzed C-H allylation of azaarenes via an enantioselective [2,3]-Aza-wittig rearrangement }, journal = {Angewandte Chemie-International Edition}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

A phosphite-mediated [2,3]-aza-Wittig rearrangement has been developed for the regio- and enantioselective allylic alkylation of six-membered heteroaromatic compounds (azaarenes). The nucleophilic phosphite adducts of N-allyl salts undergo a stereoselective base-mediated aza-Wittig rearrangement and dissociation of the chiral phosphite for overall C-H functionalization of azaarenes. This method provides efficient access to tertiary and quaternary chiral centers in isoquinoline, quinoline, and pyridine systems, tolerating a broad variety of substituents on both the allyl part and azaarenes. Catalysis with chiral phosphites is also demonstrated with synthetically useful yields and enantioselectivities.

}, doi = {10.1002/anie.201906681}, author = {Motaleb, Abdul and Rani, Soniya and Das, Tamal and Gonnade, Rajesh G. and Maity, Pradip} } @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 {46148, title = {Polyhydroxyalkanoates as biomaterials (vol 8, pg 1774, 2017)}, journal = {MedChemComm}, volume = {10}, year = {2019}, month = {APR }, pages = {621}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Polyhydroxyalkanoates as biomaterials{\textquoteright} by Bhagyashri S. Thorat Gadgil et al., Med. Chem. Commun., 2017, 8, 1774-1787.

}, issn = {2040-2503}, doi = {10.1039/c9md90017a}, author = {Gadgil, Bhagyashri S. Thorat and Killi, Naresh and Rathna, Gundloori V. N.} } @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 {46427, title = {Preparation and activity of copper-gallium nanocomposite catalysts for carbon dioxide hydrogenation to methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {NOV}, pages = {21331-21340}, type = {Article}, abstract = {

Copper (Cu) nanocomposite catalysts with gallium (Ga) and aluminum (Al) were prepared using the simultaneous coprecipitation digestion method. The catalysts were characterized by N-2 adsorption, N2O titration, XRD (X-ray diffraction), H-2-TPR (H-2 temperature-programmed reduction), XPS (X-ray photoelectron spectroscopy), and CO2-TPD (CO2 temperature-programmed desorption) techniques, and CO2 hydrogenation to methanol synthesis was performed. The use of Ga in Cu catalysts enhanced the weak basic sites more than the Cu catalysts with Al. With the CuGa nanocomposite formation, the catalyst showed a sequential reduction of CuO, for example, Cu+2 to Cu+ to Cu-0, and the Cu surface area was also high in comparison with CuAl. These findings confirmed that both the Cu surface area and CuO reducibility in the catalyst helped to boost the conversion of CO2, whereas selectivity to methanol was associated with the basicity of the catalyst. CuAl catalysts showed very poor selectivity to methanol despite CO formation, which could be due to the weak interaction of the CuAl nanocomposite catalysts compared to the CuGa nanocomposite catalysts.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b04083}, author = {Hengne, Amol M. and Yuan, Ding Jier and Date, Nandan S. and Saih, Youssef and Kamble, Sanjay P. and Rode, V. Chandrashekhar and Huang, Kuo-Wei} } @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 {46158, title = {Promising visible-light driven hydrogen production from water on a highly efficient CuCo2S4 nanosheet photocatalyst}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {MAR }, pages = {6985-6994}, type = {Article}, abstract = {

Here we report the development of CuCo2S4 nanosheets (NSs) as a promising semiconductor photocatalyst for the first time for water splitting reactions under visible light ( 420 nm) conditions, without the support of any noble metal co-catalyst. These NSs were produced via a simple hydrothermal route and have desirable properties with a band gap of 2.24 eV, and are photo-catalytically active under visible light with an apparent quantum yield (AQY) of 2.48\%. Under visible light, CuCo2S4 NSs exhibit excellent weight-normalized photoactivity that generates approximate to 25900 mol h(-1) H-2 for 1 g of material with sulphide + sulphite as the sacrificial agent under 7.68 mW cm(-2) illumination, which is the best evolution reported for any chalcogenide semiconductor material without any co-catalyst to date with unprecedented long-term operational stability (up to 12 h study time). The rate and number of hydrogen gas molecules produced are 8.2855 x 10(15) s(-1) cm(-2) which remained constant for three catalytic cycles with a turnover frequency (TOF) value of 0.017 s(-1). The effect of Cu substitution on photoactivity was also investigated for comparative studies and it was found that CuCo2S4 NSs show superior activity to Cu0.5Co2.5S4 and Co3S4. These CuCo2S4 NSs absorb the entire visible range of the spectrum from 420 to 800 nm, and have a highly populated density of states at the Fermi level and a high donor concentration of 7.22 x 10(18) cm(-3) which have been evaluated by Mott-Schottky analysis and favourable adsorption of H+ on S-sites and conversion to H-2 corroborate their efficient photocatalytic activity.

}, issn = {2050-7488}, doi = {10.1039/c9ta00391f}, author = {Chauhan, Meenakshi and Soni, Kiran and Karthik, P. E. and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {46020, title = {Pyridine immobilised on magnetic silica as an efficient solid base catalyst for Knoevenagel condensation of furfural with acetyl acetone}, journal = {Catalysis Communications}, volume = {124}, year = {2019}, month = {MAY }, pages = {81-85}, type = {Article}, abstract = {

Novel heterogeneous pyridine immobilised magnetic silica (Fe3O4@SiO2-Py) was found to be an efficient, greener and heterogeneous solid base catalyst for the Knoevenagel condensation of furfural with acetylacetone under optimized reaction conditions. The Knoevenagel condensation product 3-(2-furylmethylene)-2,4-pentanedione (FMP), a jet fuel precursor, was produced in high yield of 85\% with 94\% conversion of furfural at 100 degrees C within a period of 4 h. Fe3O4@SiO2-Py catalyst showed excellent stability and recyclability without losing its initial activity.

}, keywords = {furfural, Jet fuel, Knoevenagel condensation, Silica immobilised pyridine, Solid base}, issn = {1566-7367}, doi = {10.1016/j.catcom.2019.03.005}, author = {Tarade, Komal and Shinde, Suhas and Sakate, Sachin and Rode, Chandrashekhar} } @article {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 {46178, title = {Re-purposing is needed for beneficial bugs, not for the drugs}, journal = {International Microbiology}, volume = {22}, year = {2019}, month = {MAR}, pages = {1-6}, type = {Review}, abstract = {

Between 150 and 200 species of plants, insects, birds or mammals go extinct every day. We do not have any idea what the global extinction rate for microorganisms is. What is clear is that we have already lost a maximum number of the microbes that used to live in and on our skins. Many of our microbial partners are facing extinction as we apply selection pressures that are unprecedented in our long-standing relationships. Recent estimates are that we have lost at least one third of the diversity of our skin microbiome. Every day, most of us bath or shower in water that contains chlorine or fluorine; these additives do a great job of killing pathogenic microbes, but they are probably not helping our skin microbiome. Most of the people apply cosmetic products every day, as these products contain preservatives that prevent microbial growth on the shelf. These same chemicals may well kill microbes on the skin. The daily use of high-pH soaps probably will not help microbial life that is adapted to living on the skin{\textquoteright}s natural pH of 5. The rise in the rate of C-section births from around 5\% in 1970 to more than 30\% today is likely to be a contributing factor. Vaginal microbes seed our skins at birth and C-sections disrupt this process. The overuse of broad-spectrum antibiotics has contributed to the loss of our microbial partners in all body sites and the skin is no exception. It is now clear that skin is an ecosystem that is dependent on commensal microbes for optimal health. In general, a diverse ecosystem is a healthy ecosystem that is robust in the face of change. Low-diversity ecosystems are more fragile and susceptible to dysbiosis. Eczema and acne rates have increased rapidly over the last 50 years. These diseases are almost unknown in hunter-gatherer communities. Now, we face two exciting challenges: finding out which species matter and how to get them back.

}, keywords = {Drugs, Dysbiosis, Microbiome, Probiotics}, issn = {1139-6709}, doi = {10.1007/s10123-018-00049-x}, author = {Ram, Hari and Dastager, Syed G.} } @article {46039, title = {Ring opening polymerization of lactide: kinetics and modeling}, journal = {Chemical Engineering Communications}, volume = {206}, year = {2019}, month = {SEP }, pages = {1159-1167}, type = {Article}, abstract = {

The ring opening polymerization (ROP) kinetics of L-lactide was studied in bulk at 150, 160, and 180 degrees C using stannous octoate [Sn(Oct)(2)] catalyst and 1-pyrene butanol co-catalyst. The effect of different parameters namely, time and co-catalyst to catalyst ratio was studied on the properties of polylactide. The experimental results showed high conversion of L-lactide. The kinetics of L-lactide ROP follows the co-ordination insertion mechanism. The experimental results obtained were studied to account for the reversible activation, propagation, termination, and validated by modeling using MATLAB. The model developed successfully predicts the monomer conversion and the kinetics of L-lactide ROP.

}, keywords = {1-pyrene butanol, Average molecular weights, GPC, kinetics, L-Lactide, Modeling and simulation, Polymerization temperature, Proton NMR, ROP, Stannous octoate}, issn = {0098-6445}, doi = {10.1080/00986445.2018.1550395}, author = {Metkar, Sangeeta and Sathe, Vivek and Rahman, Imran and Idage, Bhaskar and Idage, Susheela} } @article {46176, title = {Robust micropropagation protocol for genetically true to type plants of Phule Arakta pomegranate}, journal = {Indian Journal of Horticulture}, volume = {76}, year = {2019}, month = {MAR}, pages = {23-31}, type = {Article}, abstract = {

A rapid and reproducible micropropagation protocol for pomegranate cv. Phule Arakta has been developed using nodal segments of field grown plant. Bud break was induced in basal Woody Plant Medium (WPM) as well as compared when WPM was supplemented with plant growth regulators. Multiple shoot proliferation was induced in the nodal segments on WPM fortified with different concentration of benzyladenine (BAP) where 2mg/I BAP developed maximum number of shoots. Elongation of shoots was further amplified with the addition of adjuvant silver nitrate. Browning of culture medium was controlled by the addition of polyvinylpyrrolidone (PVP) and regular sub-culturing enhanced shoot multiplication as well as elongation. Rooting was induced in the regenerated shoots using Indole-3-butyric acid (IBA) and 3-Indoleacetic acid where best result was obtained using shock treatment with NAA. Sub-culturing resulted in denser and better rooting. The rooted plantlets were further acclimatized and then established in soil. The clonal fidelity of the in vitro grown cultures was assessed using Random Amplified Polymorphic DNA (RAPD) and Inter Simple Sequence Repeats (ISSR) markers. The 10 RAPD decamers produced 55 bands and 4 ISSR produced 19 bands in total. RAPD primers OPC-08, OPC-13 and OPD-07 produced the highest number of distinct bands and ISSR primer UBC-834 produced maximum distinct bands. All the bands were monomorphic which confirms the genetic fidelity of the in-vitro raised P. granatum cv. Phule Arakta and supported the method of mass production of true to type progenies using tissue culture.

}, keywords = {genetic fidelity, ISSR, Punica granatum, RAPD}, issn = {0972-8538}, doi = {10.5958/0974-0112.2019.00004.5}, author = {Raman, Taramla and Gupta, Vidya S. and Shukla, Susmita} } @article {45628, title = {Role of Li+ and Fe3+ in modified ZnO: Structural, vibrational, opto-electronic, mechanical and magnetic properties}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JAN}, pages = {7232-7243}, type = {Article}, abstract = {When Fe is doped in ZnO, a situation of charge imbalance is created due to the higher charge of Fe3+. A charge balance may be obtained by co-doping Li+0.5Fe3+0.5 combinations. A solid solution of Zn1-x(Fe0.5Li0.5)xO (0 <= x <= 0.03125) is synthesized with this viewpoint. The crystallites belong to a wurtzite P63mc space group, with lattice parameters a, b and c increasing nominally for x = 0.0156 and thereafter remaining invariant. The size varies in the range ~ 60{\textendash}142 nm. Interstitials of Li and Zn ions are formed. Along with Fe3+ substitution these defects are reasons for O interstitials. These oxygen interstitials increase the red emission while reduction of oxygen vacancies reduces the green emission. These point defects create structural distortion and strain which can generate Zn vacancies. Bandgap reduces due to shallow defects. Mid-bandgap states due to oxygen interstitials and Fe 3d-O 2p hybridization result in NIR emission. On the other hand the crystal surface deforms due to Li addition which hardens the materials. A weak ferromagnetism appears at very low temperature which is enhanced by Li+ addition. Long range exchange mechanism between Fe3+ ions appears in the samples, mediated by magnetic polarons due to point defects.}, keywords = {hardness, NIR emission, Shallow and deep level defects, Weak ferromagnetism, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.01.004}, author = {Bajpai, G. and Moirangthem, I. and Sarkar, S. and Barman, S. R. and Vinod, C. P. and Bajpai, S. and Riyajuddin, S. and Ghosh, K. and Basaula, D. R. and Khan, M. and Liu, S. -W. and Biring, S. and Sen, S.} } @article {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 {46275, title = {Route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {SEP}, pages = {8384-8390}, type = {Article}, abstract = {

A novel and practical route to synthesize imidazol[1,5-a]indoles and pyrrolo[1,2-c]imidazoles via N-H functionalization has been developed. Indole-2-carboxylic acid or pyrrole-2-carboxylic acid with diverse aniline groups and carbonyldiimidazole (CDI), in the presence of a base under microwave conditions, resulted in imidazol[1,5-a]indoles and pyrrolo[1,2-c]imidazoles, respectively. The present method is free of work-up and no need for column chromatography. Both title scaffolds can serve as useful heterocyclic scaffolds in medicinal chemistry as such, or they can be used as building blocks to construct different classes of useful compounds.

}, doi = {10.1039/c9ob01462d}, author = {Rao, Ramana Sreenivasa and Shajan, Fere Joseph and Reddy, D. Srinivasa} } @article {46110, title = {Ru(II)-catalyzed C-H activation/alkylation of 3-formylbenzofurans with conjugated olefins: product divergence}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {MAY }, pages = {5056-5066}, type = {Article}, abstract = {

Ru-catalyzed alkylation of 3-formylbenzofuran with acrylates and acrylamides has been described. Branched selectivity with unsubstituted or beta-substituted acrylates/ acrylamides and linear selectivity with alpha-substituted acrylates have been observed. However, in all of the cases, the intermediate alkylation products seem to undergo further reactions, either cycloannulation or deformylation, depending on the substrate employed. For example, with methyl acrylate, the intermediate branched alkylation product underwent cycloannulation with another molecule of methyl acrylate, resulting in a densely functionalized cyclohexene ring formation. On the other hand, in the case of N-monosubstituted acrylamides, the branched alkylation proceeded with intramolecular aldehyde-amide condensation, leading to pyridin-2-one ring annulation. However, with both methacrylate and crotonate, deformylation of the initially formed alkylation products was observed.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b03267}, author = {Srinivas, Kolluru and Siddiqui, Shaziyaparveen K. and Mudaliar, Jyothi K. and Ramana, Chepuri V.} } @article {45550, title = {Scalable synthesis of both enantiomers of vigabatrin, an antiepileptic drug}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {FEB}, pages = {1257{\textendash}1260}, type = {Article}, abstract = {

Vigabatrin is a potent inhibitor of gamma-aminobutyric acid (GABA) catabolism used for the treatment of epilepsy. Here we have synthesized both enantiomers of the drug vigabatrin in five steps from known intermediates using Wittig olefination and pyrolytic elimination as key steps. The target compounds are synthesized in gram scale amounts with \>98 \% enantiopurity.

}, doi = {10.1002/ejoc.201801617}, author = {Jachak, G.R. and Reddy, D.S.} } @article {46163, title = {Scalable synthesis of cladosporin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {MAR }, pages = {831-833}, type = {Article}, abstract = {

Cladosporin, a secondary metabolite isolated from fungal sources like Cladosporium cladosporioides and Aspergillus flavus was found to exhibit selective nano-molar activity against malarial parasite Plasmodium falciparum by inhibiting parasitic protein biosynthesis. In addition, this natural product has a broad range of bioactivities including, antiparasitic, antifungal, antibacterial as well as plant growth inhibition. However, it has limited availability from the natural sources for further development. Herein, we report a modified and improved synthetic route which led us to produce this potent natural product in a gram scale. Conversion of the undesired diastereomer to desired one via Mitsunobu inversion of secondary alcohol and carbon monoxide insertion reaction towards the construction of isocoumarin unit are the key features of the present synthesis. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Anti-malarials, Cladosporin, Mitsunobu, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.02.012}, author = {Das, Pronay and Mankad, Yash and Reddy, D. Srinivasa} } @article {46416, title = {Selective hydrogenation of 5-HMF to 2,5-DMF over a magnetically recoverable non-noble metal catalyst}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {DEC}, pages = {6390-6406}, type = {Article}, abstract = {

A non-noble bimetallic catalyst Cu-Fe (1 : 2) was magnetically recoverable, highly selective and efficient for 5-(hydroxymethyl) furfural (5-HMF) hydrogenation to 2,5-dimethyl furan (DMF). The structure-activity correlation was established by characterising the prepared catalyst by XRD, XPS, TEM, ESEM, BET surface area, N-2-adsorption, NH3-TPD, pyridine-IR and H-2-TPR measurements. The high catalytic efficiency was attributed to the oxophilic nature and Lewis acidity of Fe, whereas the selectivity towards DMF was attributed to the Bronsted acidity of CuO and its affinity towards the C-O bond which was further confirmed by NH3-TPD and Py-IR analyses. XPS and XRD revealed the presence of Cu/CuFe2O4 species which catalyzed the hydrogenolysis pathway. TEM and SEM images evidenced the presence of a Cu-Fe nanomorph in which Cu/CuFe2O4 was present. The size of the Cu-Fe nanomorph was found to be between 15.4-17.6 nm. Under the optimised reaction conditions, the highest conversion of 97\% and selectivity of 93\% were achieved.

}, issn = {1463-9262}, doi = {10.1039/c9gc03091c}, author = {Solanki, Bhanupratap Singh and Rode, V. Chandrashekhar} } @article {45607, title = {Selective hydrogenolysis of 5-(hydroxymethyl)furfural over Pd/C catalyst to 2,5-dimethylfuran}, journal = {Journal of Saudi Chemical Society}, volume = {23}, year = {2019}, month = {MAY}, pages = {439-451}, type = {Article}, abstract = {

everal metal supported catalysts were prepared and evaluated for 5-(hydroxymethyl)furfural (5-HMF) hydrogenolysis to 2,5-dimethylfuran (2,5-DMF) which is a renewable potential fuel additive. Among the prepared catalysts, 3\%Pd/C showed excellent performance in terms of complete conversion of 5-HMF along with the highest selectivity of 99\% to 2,5-DMF. Detailed physico-chemical characterisation was done in order to understand structure-activity correlation. Uniformly dispersed Pd nanoparticles on activated carbon provided the adsorption surface to enhance the hydrogenation of 5-HMF. Reaction was well optimised and established by extensive study of different reaction parameters like temperature, pressure, reaction time, stirring effect, substrate loading and metal loading.

}, keywords = {Biomass, Fuel additive, heterogeneous catalysis, Hydrogenolysis, Palladium}, issn = {1319-6103}, doi = {10.1016/j.jscs.2018.08.009}, author = {Solanki, B. S. and Rode, C. V.} } @article {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 {46432, title = {Silk fibroin-sodium dodecyl sulfate gelation: molecular, structural, and rheological insights}, journal = {Langmuir}, volume = {35}, year = {2019}, month = {NOV}, pages = {14870-14878}, type = {Article}, abstract = {

A gelling agent is necessary to accelerate sol to gel transition in an aqueous solution of silk fibroin (SF), which otherwise takes several days to complete. In this paper, we investigate the mechanism of gelation of Bornbyx mori SF by a model anionic surfactant, sodium dodecyl sulfate (SOS). Even though interactions between SDS and proteins have been extensively investigated, most of these studies have focused on globular proteins, which undergo denaturation. The interaction with a fibrous protein such as SF is different and results in an altered secondary structure leading to gelation. In this work, the concentration-dependent gelation process of the SF-SDS system is examined using rheology, SANS, FTIR, and NMR. We observed preferential binding of SDS to specific regions on the SF chain, which aids structural changes favoring beta-sheet formation. We propose a mechanism for the accelerated sol-gel transition in the SF-SDS system.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.9b02402}, author = {Hirlekar, Swarali and Ray, Debes and Aswal, Vinod K. and Prabhune, Asmita and Nisal, Anuya and Ravindranathan, Sapna} } @article {46159, title = {Silylene induced cooperative B-H bond activation and unprecedented aldehyde C-H bond splitting with amidinate ring expansion}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAR }, pages = {3536-3539}, type = {Article}, abstract = {

The addition of HBpin to PhC(NtBu)(2)SiN(SiMe3)(2) (1) results in the cleavage of the B-H bond in a cooperative fashion across the Si and amidinate-C sites. The reaction of 1 with benzaldehyde led to C-H bond activation with amidinate ring expansion leading to a five-membered heterocycle. In case of 4-fluorobenzaldehyde, a C-C bond coupling takes place leading to a dioxasilolane derivative as the major product.

}, issn = {1359-7345}, doi = {10.1039/c9cc00296k}, author = {Swamy, V. S. V. S. N. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S. and Roesky, Herbert W.} } @article {45614, title = {Squaraine-linked metalloporphyrin two-dimensional polymer photocatalyst for hydrogen and oxygen evolution reactions}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JAN}, pages = {1627-1630}, type = {Article}, abstract = {Efficient water splitting photocatalysts are an energetically demanding and cost-effective method for generating renewable energy. Significant research has been reported to advance this approach. However, the use of organic photocatalysts and the presence of residual catalysts trapped in the porous frameworks present major concerns about the efficiency of this strategy. Herein, we report the photocatalytic evolution of H2 and O2 by a multi-hydroxyl group-decorated metalloporphyrin-based two-dimensional catalyst developed via metal catalyst-free synthetic route. Though metalloporphyrins have long been used for catalytic functions, a heterogeneous photocatalyst delivering both H2 and O2 has not yet been realized. This polymer catalyst design enables the photocatalytic diatomic O2 release, a bottleneck in water splitting, in a facile way. Photocatalytic release of H2 as well as O2 occurs with long-term durability of 20 cycles in 300 days with negligible decrease in efficiency, thus demonstrating the excellent performance of this new catalyst.}, doi = {10.1039/C8CC09132C}, author = {Ranjeesh, K. C. and George, L. and Wakchaure, V. C. and Goudappagouda and Devi, R. N. and Babu, S. S.} } @article {46086, title = {Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7344-7351}, type = {Article}, abstract = {

The diiminodiphosphine (L-im) and diaminodiphosphines (l-NH and l-NMe) with a bifunctional PNNP ligand framework have been employed to host two [GeCl](+) units leading to the formation of bis(chlorogermyliumylidene) 1-3, respectively. The synthetic route involves a 1:2 stoichiometric reaction between the PNNP ligand and GeCl(2)dioxane and the subsequent addition of two equivalents of chloride abstracting agent. Compound 1 is unstable towards coordinating solvents and Lewis bases, resulting in the displacement of the GeCl unit and the formation of rearranged products 4 and 5. However, the diaminodiphosphine coordinated Ge(ii) bis(monocation)s 2 and 3 proved to be stable and revealed their electrophilic behaviour towards the Lewis bases studied.

}, issn = {1477-9226}, doi = {10.1039/c9dt00109c}, author = {Sahoo, Padmini and Raut, Ravindra K. and Maurya, Devesh and Kumar, Vikas and Rani, Pooja and Gonnade, Rajesh G. and Majumdar, Moumita} } @article {45624, title = {Stereoselective aromatic ring hydrogenation over supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Chemical Record}, year = {2019}, month = {JAN}, type = {Article}, abstract = {The combination of supported rhodium metal catalysts and supercritical carbon dioxide solvent was effective for the stereoselective ring hydrogenations of aromatic compounds at low temperature. Higher solubility of hydrogen in supercritical carbon dioxide provides higher concentration of hydrogen on the rhodium surface, but lower that of the intermediate on rhodium surface, which suppresses the flipping of surface intermediate, leading to higher catalyst activities and cis selectivities to the corresponding ring-hydrogenated products as compared with those in organic solvents.}, doi = {10.1002/tcr.201800128}, author = {Shirai, M. and Hiyoshi, N. and Rode, C. V.} } @article {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 {45601, title = {Studies toward the total synthesis of parvifolals A/B: an intramolecular o-quinone methide [4 + 2]-cycloaddition to construct the central tetracyclic core}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {810{\textendash}818}, type = {Article}, abstract = {

Two different approaches funded upon the intramolecular [4 + 2]-cycloaddition of in situ generated o-quinone methides have been explored to construct the central tetracyclic core of parvifolals A/B. At the outset, a cross-pinacol coupling of 2-formyl tri-O-methyl resveratrol with 4-methoxysalicylaldehyde followed by acid treatment was found to provide the desired tetracyclic core with an internal olefin. The requisite pendant aryl group has been introduced by a Pd-catalyzed direct coupling of corresponding diazonium salt.

}, doi = {10.1021/acsomega.8b02777}, author = {Paymode, D. J. and Ramana, C. V.} } @article {46201, title = {Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis}, journal = {European Journal of Medicinal Chemistry}, volume = {178}, year = {2019}, month = {SEP}, pages = {315-328}, type = {Article}, abstract = {

The dormant and resistant form of Mycobacterium tuberculosis presents a challenge in developing new anti-tubercular drugs. Herein, we report the synthesis and evaluation of trisubstituted thiazoles as antituberculosis agents. The SAR study has identified a requirement of hydrophobic substituent at C2, ester functionality at C4, and various groups with hydrogen bond acceptor character at C5 of thiazole scaffold. This has led to the identification of 13h and 13p as lead compounds. These compounds inhibited the dormant Mycobacterium tuberculosis H37Ra strain and M. tuberculosis H37Rv selectively. Importantly, 13h and 13p were non-toxic to CHO cells. The 13p showed activity against multidrug-resistant tuberculosis isolates. (C) 2019 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2019.05.082}, author = {Karale, Uttam B. and Krishna, Vagolu Siva and Krishna, E. Vamshi and Choudhari, Amit S. and Shukla, Manjulika and Gaikwad, Vikas R. and Mahizhaveni, B. and Chopra, Sidharth and Misra, Sunil and Sarkar, Dhiman and Sriram, Dharmarajan and Dusthackeer, V. N. Azger and Rode, Haridas B.} } @article {46009, title = {Synthesis, characterization, Hirshfeld surface, cytotoxicity, DNA damage and cell cycle arrest studies of N, N-diphenyl-N {\textquoteleft}-(biphenyl-4-carbonyl/4-chlorobenzoyl) thiocarbamides}, journal = {Journal of Molecular Structure}, volume = {1186}, year = {2019}, month = {JUN}, pages = {333-344}, type = {Article}, abstract = {

The condensation reaction of biphenyl-4-carbonyl isothiocyanate/4-chlorobenzoyl isothiocyanate with diphenylamine yielded two new compounds; N-diphenyl-N{\textquoteright}-(biphenyl-4-carbonyl) thiocarbamide (1) and N, N-diphenyl-N{\textquoteright}-(4-chlorobenzoyl) thiocarbamide (2). Structure of the compounds were determined by analytical, spectroscopic (UV-Visible, FT-IR, H-1, \& C-13 NMR), powder and single-crystal X-ray diffraction methods. Hirshfeld surface analysis and their associated two dimensional fingerprint plots of compounds were used as theoretical approach to assess driving force for crystal structure formation via the intermolecular interactions in their crystal lattices. The compounds were screened for their in vitro cytotoxicity activity against a panel of five human cancer cell lines namely; cervical (2008 and C13*) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Both the compounds exhibited promising activity against cervical and IGROV-1 cancer cells whereas for the other two cell lines appreciable activities were observed. The cell cycle arrest at G(0)/G(1) phase is supported by the DNA damage and apoptosis studies of the compounds against 2008, C13* and IGROV-1 cell lines. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {DNA damage and cell cycle arrest, Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.03.057}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano and Kaur, Manpreet and Jasinski, Jerry P.} } @article {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 {46220, title = { Synthesis of biodiesel using the Mg/Al/Zn hydrotalcite/SBA-15 nanocomposite catalyst }, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {FEB}, pages = {3500-3507}, type = {Article}, abstract = {

Biodiesel production is an enchanting and eccentric pathway for the reduction of use of fossil fuels and is procured from biologically available renewable sources such as oils and fats. A novel Mg/Al/Zn-based hydrotalcite/SBA-15 composite material having a high catalytic activity was developed and investigated for the transesterification of vegetable oil. The rationally developed composites were systematically characterized and assessed in the transesterification of soybean oil in the presence of methanol. The physicochemical evaluation of the nanocomposites demonstrated the influence of Zn in the textural characteristics, density of the basic sites, and successively the catalytic activity. The catalytic efficiency of the MAZ-x/SBA-15 composite could be linked with the basic site density determined by the temperature-programmed desorption of CO2. Among all the composites used, the MAZ-1/SBA-15 nanocomposite showed the highest activity for biodiesels, with a yield of around 90\% under economical reaction conditions. The catalytic studies conferred that the fatty acid methyl ester yield is significantly influenced by various experimental conditions such as the catalyst molar ratio, reaction temperature, pressure, and contact time. It was also found that the incorporation of hydrotalcite into SBA-15 pore channels can enhance the catalyst efficiency and stability of the nanocomposite. Moreover, under mild reaction conditions, a remarkably stable catalytic performance was achieved for more than 200 h of time on stream with no catalyst deactivation.

}, doi = {10.1021/acsomega.8b02547}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Kandasamy, Prabu and Kalaivani, P. R. and Rajendiran, Nagappan and Raja, Thirumalaiswamy} } @article {46212, title = {Synthesis of chiral tetrahydrofuran building blocks from pantolactones: application in the synthesis of empagliflozin and amprenavir analogs}, journal = {Europen Journal of Organic Chemistry}, year = {2019}, month = {JUL}, type = {Article}, abstract = {

Chiral 4,4-dimethyl tetrahydrofuran (THF) derivatives were synthesized from commercially available D-(-)/ l-(+) pantolactones, which can serve as chiral building blocks in medicinal chemistry. In addition, two of the synthesized building blocks were utilized for the synthesis of new amprenavir (HIV protease inhibitor) and empagliflozin (anti-diabetic) analogs. The synthesized analogs may have beneficial effects in terms of pharmacokinetics and modulation of bioactivity.

}, doi = {10.1002/ejoc.201900718}, author = {Athawale, Paresh R and Kumari, Neeta and Kashinath, K and Reddy, D. Srinivasa} } @article {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 {46116, title = {Taxonomic insights into the phylogeny of Bacillus badius and proposal for its reclassification to the genus Pseudobacillus as Pseudobacillus badius comb. nov. and reclassification of Bacillus wudalianchiensis Liu et al.}, journal = {Systematic and Applied Microbiology}, volume = {42}, year = {2019}, month = {MAY}, pages = {360-372}, type = {Article}, abstract = {

The species Bacillus badius is one of the oldest members of the genus Bacillus isolated from faeces of children and was classified based on its ability to form endospores [8]. In 16S rRNA gene sequence and phylogenetic analysis, Bacillus badius DSM 23(T) shared low similarity (93.0\%) and distant relationship with B. subtilis, the type species of the genus Bacillus indicating that it does not belong to this genus. Additional strains of the species, B. badius DSM 5610, DSM 30822 and B. encimensis SGD-V-25 (which has been recently reclassified as a member of this species) were included in the study to consider intraspecies diversity. Detailed molecular phylogenetic and comparative genome analysis clearly showed that the strains of B. badius were consistently retrieved outside the cluster of Bacillus sensu stricto and also distantly related to the genera Domibacillus and Quasibacillus. Further, the data from biochemical reactions (inability to ferment most carbohydrates), polar lipids profile (presence of diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an aminophosphoglycolipid) and fatty acids supported the molecular analysis. Thus the four B. badius strains; DSM 23(T), DSM 5610, DSM 30822 and SGD-V-25 displayed sufficient demarcating phenotypic characteristics that warrant their classification as members of a novel genus and single species, for which the name Pseudobacillus badius gen. nov. comb. nov. is proposed with Pseudobacillus badius DSM 23(T) (= ATCC 14574(T)) as the type strain. Additionally, based on our findings from phenotypic, chemotaxonomic and genotypic parameters, Bacillus wudalianchiensis DSM 100757(T) was reclassified as Pseudobacillus wudalianchiensis comb. nov. (C) 2019 Elsevier GmbH. All rights reserved.

}, keywords = {16S rRNA, Bacillus, Bacillus wudalianchiensis, Fatty acids, polar lipids, Pseudobacillus}, issn = {0723-2020}, doi = {10.1016/j.syapm.2019.03.003}, author = {Verma, Ashish and Pal, Yash and Ojha, Anup Kumar and Kumari, Munesh and Khatri, Indu and Rameshkumar, N. and Schumann, Peter and Dastager, Syed G. and Mayilraj, Shanmugam and Subramanian, Srikrishna and Krishnamurthi, Srinivasan} } @article {46244, title = { Temperature-dependent phonon dynamics of supported and suspended monolayer tungsten diselenide }, journal = {AIP Advances}, volume = {9}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Two-dimensional materials exhibit great potential for high-performance electronics applications and the knowledge of their thermal properties is extremely necessary, since they are closely related to efficient heat dissipation and electron-phonon interactions. In this study we report the temperature-dependence of the out-of-plane A(1g) Raman mode of suspended and supported CVD-grown single-crystalline tungsten diselenide (WSe2) monolayer. The A(1g) phonon wavenumber is linearly red-shifted for temperature ranging from 98 to 513 K, with first-order temperature coefficients beta of -0.0044 and -0.0064 cm(-1)/K for suspended and supported monolayer WSe2, respectively. The higher beta module value for supported sample is attributed to the increase of the phonon anharmonicity due to the phonon scattering with the surface roughness of the substrate. Our analysis of the temperature-dependent phonon dynamics reveal the influence of the substrate on thermal properties of monolayer WSe2 and provide fundamental information for developing of atomically-thin 2D materials devices. (C) 2019 Author(s).

}, doi = {10.1063/1.5118004}, author = {Carvalho, Thais C. V. and Araujo, Francisco D. V. and dos Santos, Clenilton Costa and Alencar, Luciana M. R. and Ribeiro-Soares, Jenaina and Late, Dattatray J. and Lobo, Anderson Oliveira and Souza Filho, Antonio Gomes and Alencar, Rafael S. and Viana, Bartolomeu C.} } @article {46091, title = {Tf2NH catalyzed 1,6-conjugate addition of 2-hydroxy-p-quinone methides with -functionalized ketones: access to 2,3,4,9-Tetrahydro-1H-xanthenones and 4H-Chromene Derivatives}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {JUN }, pages = {3127-3133}, type = {Article}, abstract = {

A Bronsted acid catalyzed tandem 1,6-conjugate sequential cycloaddition reaction using 2-hydroxy-p-quinone methides and -functionalized ketones is reported. The method allows xanthenones and chromenes to be accessed in moderate to excellent yield with broad substrate scope, which could be further functionalized to give a versatile set of products.

}, keywords = {-Functionalized ketone, 1, 6-Conjugated addition, Bronsted acid, Chromenes, Xanthenones}, issn = {1434-193X}, doi = {10.1002/ejoc.201900370}, author = {Satbhaiya, Shruti and Khonde, Nilesh S. and Rathod, Jayant and Gonnade, Rajesh and Kumar, Pradeep} } @article {46053, title = {Thiol and halometallate, mutually passivated quantum dot ink for photovoltaic application}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {JUL}, pages = {26100-26108}, type = {Article}, abstract = {

Tunable-band-gap colloidal QDs are a potential building block to harvest the wide-energy solar spectrum. The solution-phase surface passivation with lead halide-based halometallate ligands has remarkably simplified the processing of quantum dots (QDs) and enabled the proficient use of materials for the development of solar cells. It is, however, shown that the hallometalate ligand passivated QD ink allows the formation of thick crystalline shell layer, which limits the carrier transport of the QD solids. Organic thiols have long been used to develop QD solar cells using the solid-state ligand exchange approach. However, their use is limited in solution-phase passivation due to poor dispersity of thiol-treated QDs in common solvents. In this report, a joint passivation strategy using thiol and halometallate ligand is developed to prepare the QD ink. The mutually passivated QDs show a 50\% reduction in shell thickness, reduced trap density, and improved monodispersity in their solid films. These improvements lead to a 4 times increase in carrier mobility and doubling of the diffusion length, which enable the carrier extraction from a much thicker absorbing layer. The photovoltaic devices show a high efficiency of 10.3\% and reduced hysteresis effect. The improvement in surface passivation leads to reduced oxygen doping and improved ambient stability of the solar cells.

}, keywords = {ligand, mobility, quantum dot, solar cell, surface passivation}, issn = {1944-8244}, doi = {10.1021/acsami.9b07605}, author = {Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K.} } @article {46058, title = {Total synthesis of Met(10)-teixobactin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {JUL }, pages = {1909-1912}, type = {Article}, abstract = {

The total synthesis of cyclic depsipeptide Met(10)-teixobactin in solution-phase is described. Teixobactin is a structurally and mechanistically novel antimicrobial peptidic natural product with very impressive activities against Gram-positive pathogens. It happens to possess an L-allo-enduracididine (End) residue as part of macrocyclic ring which is not readily accessible. In this report, we have used serine ligation strategy as the key step to prepare an analogue of teixobactin where End being replaced with a readily available amino acid methionine. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {antibiotic, Cyclic tetrapeptides, Serine ligation, Teixobactin}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.06.027}, author = {Gunjal, Vidya B. and Reddy, D. Srinivasa} } @article {45600, title = {Unusual route to synthesize indolizines through a domino SN2/michael addition reaction between 2-mercaptopyridine and nitroallylic acetates}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {JAN}, pages = {765-769}, type = {Article}, abstract = {

A straightforward synthesis of indolizines has been demonstrated from the reaction of 2-mercaptopyridine and nitroallylic acetates in the presence of a base. The products were obtained in good isolated yield under relatively mild reaction conditions. The mechanistic insight of the reaction has been revealed by performing some control experiments demonstrating that the reaction is initiated by a sequential SN2/Michael addition reaction followed by removal of the sulfur moiety.

}, keywords = {domino reactions, Michael addition, nitrogen heterocycles, nucleophilic substitution, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201801426}, author = {Roy, S.} } @article {46238, title = {Valorization of oceanic waste biomass: a catalytic perspective}, journal = {Chemical Record}, volume = {19}, year = {2019}, month = {SEP}, pages = {1995-2021}, type = {Article}, abstract = {

Efficacious waste utilization is vital in context of sustainability. The past decade has witnessed attempts of usage of land biomass and wastes for various applications, contributing towards a sustainable society. Exploitation of the marine biomass, which does not compete with habitation and food production like land biomass has been largely unnoticed and therefore not being utilized judiciously. Researchers have mainly exploited these resources as functional materials having significant potential applications. However, a catalytic perspective for the valorisation of these polymers arising from oceanic waste widens their scope and ameliorates its use. The objective of the present review is to demonstrate the effectiveness of chitin/chitosan as a catalyst and as a feedstock for deriving important fuels and chemicals. It displays all the reactions heterogeneously catalyzed by them along with the strategic methodology. Their important catalytic organic transformations attempted so far, have also been discussed. The future perspectives are also presented which if inculcated would improve the value addition of the waste, paving a way for greener and imperishable world.

}, doi = {10.1002/tcr.201800195}, author = {Lucas, Nishita and Athawale, Anjali A. and Rode, Chandrashekhar 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 {46340, title = {Water-promoted surface basicity in FeO(OH) for the synthesis of pseudoionones (PS) and their analogues}, journal = {Journal of Catalysis}, volume = {378}, year = {2019}, month = {OCT}, pages = {80-89}, type = {Article}, abstract = {

Use of Iron oxyhydroxide (gamma-FeO(OH)) as a robust catalyst for the synthesis of important intermediates like pseudoionones and their analogues through the C-C bond formation reactions like knoevenagel and aldol condensation is explored. These motifs are the building blocks for the construction of the sesquiterpenes as well as the diterpenes such as retinoic acid, Vitamin A etc. Iron oxyhydroxide (gamma-FeO(OH)) was synthesized and well characterized using XRD, FT-IR, TEM, XPS and adsorption studies to establish the catalytic activity. A thorough investigation on the nature of basic sites and the role of water as a promoter was explored based on dye adsorption, in situ methanol dissociation and CO2 adsorption studies. The catalyst also showed a wide range of substrate scope with active methylene groups involving various functional groups such as cyanides, esters and acetophenones along with its stability and reproducibility. (C) 2019 Elsevier Inc. All rights reserved.

}, keywords = {Bronsted basicity, Iron (III) oxyhydroxide, Knoevenagel condensation, Pseudoionones, Surface hydroxyl groups}, issn = {0021-9517}, doi = {10.1016/j.jcat.2019.08.026}, author = {Vernekar, Dnyanesh and Sakate, Sachin S. and Rode, Chandrashekhar V. and Jagadeesan, Dinesh} } @article {45484, title = {Zebrafish acid ceramidase: expression in Pichia pastoris GS115and biochemical characterization}, journal = {International Journal of Biological Macromolecules}, volume = {122}, year = {2019}, month = {FEB}, pages = {587-593}, type = {Article}, abstract = {

Acid ceramidase (N-acylsphingosine deacylase EC 3.5.1.23; AC) catalyzes the hydrolysis of ceramide into sphingosine (SPH) and free fatty acid. Zebrafish acid ceramidase (AC) has 60\% homology with the human AC). Mutations in the human AC gene asah1 are known to cause Farber disease and spinal muscular atrophy with progressive myoclonic epilepsy. Zebrafish AC was overexpressed in Pichia pastoris by inserting asah1b gene into the genome. The majority of the overexpressed enzyme was secreted into the culture medium and purified to apparent homogeneity by stepwise chromatography. The recombinant protein was glycosylated precursor, that further undergoes limited autoproteolytic processing into two subunits (alpha and beta) which are visible in SDS-PAGE. The zebrafish AC is heterodimer associated with an inter-subunit disulfide bond. SDS-PAGE estimated the mass of native enzyme to be approximately 50 kDa \& size exclusion chromatography estimated the mass of the active enzyme as approximately 100 kDa, suggesting the formation of a dimer of heterodimers. The protein was secreted as a mixture of processed and unprocessed forms in the culture media. A preliminary characterization of purified zebrafish AC was done by an enzyme assay. The zebrafish AC expressed in Pichia pastoris would be used for further structural and functional analysis. (C) 2018 Elsevier B.V. All rights reserved.

}, keywords = {Autoproteolytic processing, Pichia pastoris, Zebrafish acid ceramidase}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2018.10.222}, author = {Rajput, Vijay B. and Karthikeyan, Muthukumarasamy and Ramasamy, Sureshkumar} } @inbook {47147, title = {2,5-Diformylfuran{\textemdash}an oxidation product of 5-hydroxymethylfurfural}, booktitle = {2,5-Diformylfuran{\textemdash}an oxidation product of 5-hydroxymethylfurfural}, number = {Biomass, Biofuels, Biochemicals Recent Advances in Development of Platform Chemicals}, year = {2020}, pages = {95-133}, abstract = {

In the current scenario of depleting fossil-derived resources, biomass is considered a potential feedstock for sustainable energy supply and production of alternative chemicals. Among them, 2,5-diformylfuran (DFF) is one of the most important chemicals having widespread potential applications. DFF is produced from bioderived resources through the catalytic oxidation process. In this chapter, catalytic routes for the production of DFF starting from biomass-derived furan derivatives and sugars (e.g., mono/polysaccharides) are discussed in detail. Comprehensive emphasis is given to the catalysts (e.g., homogeneous and heterogeneous) and enzymes used for the transformation of various bioderived sources into DFF. Moreover, a brief look has also been given at the transformations and applications of DFF.

}, keywords = {2, 5-Diformylfuran, 5-Hydroxymethylfurfural Biomass, Catalysis Chemicals, Oxidation Sugars}, doi = {10.1016/B978-0-444-64307-0.00004-4}, author = {Shinde, Suhas Hanmant and Rode, Chandrashekhar Vasant} } @article {46942, title = {6 alpha-Hydroxy-4[14], 10[15]-guainadien-8 beta, 12-olide induced cell cycle arrest via modulation of EMT and Wnt/beta-catenin pathway in HER-2 positive breast cancer cells}, journal = {Journal of Steroid Biochemistry and Molecular Biology}, volume = {197}, year = {2020}, month = {MAR}, pages = {105514}, type = {Article}, abstract = {

Cyathocline purpurea has potential biological activities and has been widely used in traditional Chinese and Ayurvedic medicine. The aim of the present study is to elucidate the anticancer effect of its 6 alpha-hydroxy-4[14], 10 [15]-guainadien-8 beta, 12-olide (SRCP1) against HER-2 positive subtype of breast carcinoma. Anticancer effect of SRCP1 was assessed by cell viability, senescence, apoptosis, cell cycle, DNA synthesis, and gene expression assays. The activity was further validated by the molecular docking study. SRCP1 inhibits human HER-2 positive breast cancer growth via inhibition of DNA synthesis in a dose-dependent manner. SRCP1 induces cell cycle arrest at G(2)/M phase, late apoptosis, and necrosis. Further, it induces senescence causing reduction in migration via down-regulation of EMT. A remarkable increase in the number of necrotic cells and Annexin-V staining revealed that exposure to SRCP1 triggers late apoptosis. Treatment with SRCP1 increased E-cadherin, p21, p53, ER-alpha expression and decreased beta-catenin, MMP-9, snaill, TNF-alpha expression. SRCP1 showed binding affinity towards an active site of the HER-2 receptor. Our results of molecular docking and biological assays demonstrated the potent anticancer activity of SRCP1 in MDA-MB-453 cells via multiple pathways including EMT, TNF-alpha, and Wnt/beta-catenin signaling.

}, keywords = {Anticancer, beta-Catenin, EMT, Guaianolide, HER-2 inhibitor}, issn = {0960-0760}, doi = {10.1016/j.jsbmb.2019.105514}, author = {Javir, Gitanjali and Joshi, Kalpana and Khedkar, Vijay and Rojatkar, Supada} } @article {46716, title = {Amidinato germylene-zinc complexes: synthesis, bonding, and reactivity}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {OCT }, pages = {3116-3121}, type = {Article}, abstract = {

Despite the explosive growth of germylene compounds as ligands in transition metal complexes, there is a modicum of precedence for the germylene zinc complexes. In this work, the synthesis and characterization of new germylene zinc complexes [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-\> ZnX2](2)(X= Br (2) and I (3)) supported by (benz)-amidinato germylene ligands are reported. The solid-state structures of2and3have been validated by single-crystal X-ray diffraction studies, which revealed the dimeric nature of the complexes, with distorted tetrahedral geometries around the Ge and Zn center. DFT calculations reveal that the Ge-Zn bonds in2and3are dative in nature. The reaction of2with elemental sulfur resulted in the first structurally characterized germathione stabilized ZnBr(2)complexes PhC(NtBu)(2)Ge(=S){N(SiMe3)(2)}-\> ZnBr2(5). Therefore, the Ge=S in5is in-between Ge-S single and Ge=S double bond length, owing to the coordination of a sulfur lone pair of electrons to ZnBr2.

}, keywords = {DFT, Germathione, Germylene, X-ray Structure, zinc}, issn = {1861-4728}, doi = {10.1002/asia.202000807, Early Access Date = SEP 2020}, author = {Yadav, Sandeep and Kumar, Rohit and Raj, K. Vipin and Yadav, Prashant and Vanka, Kumar and Sen, Sakya S.} } @article {46717, title = {Analysis and artificial neural network prediction of melting properties and ideal mole fraction solubility of cocrystals}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {SEP }, pages = {5745-5759}, type = {Article}, abstract = {

Different artificial neural network (ANN) models have been developed and examined for prediction of cocrystal properties based on pure component physical properties only. From the molecular weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. Notably, no information whatsoever about the cocrystals is needed, besides the identification of the two compounds from which the cocrystal is formed. In total, 30 cocrystal systems of 8 different model components, namely, theophylline, piracetam, gabapentin-lactam, tegafur, nicotinamide, salicylic acid, syringic acid, and 4,4{\textquoteright}-bipyridine, with distinct coformers have been chosen as the model systems for the construction of ANN models. In all the cases, 70\% of the data points have been used to train the model, and the rest were used to test the capability of the model (as a validation set) as selected through a random selection process. The training process was stopped with overall r(2) values above 0.986. In particular, the models capture how the coformer structure influences the targeted physical properties of cocrystals.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00182}, author = {Gamidi, Rama Krishna and Rasmuson, Ake C.} } @article {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 {46902, title = {Antimicrobial profiling of coral reef and sponge associated bacteria from southeast coast of India}, volume = {141}, year = {2020}, month = {APR}, pages = {103972}, type = {Article}, abstract = {

Culturable bacteria associated with marine sponges and coral mucus (collected from Gulf of Mannar and Palk Bay) were screened for their prospective antimicrobial compounds against 9 bacterial pathogens (Bacillus megaterium, B. cereus, Salmonella typhimurium, Staphylococcus aureus, Proteus vulgaris, Klebsillla pneumoniae, Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii) and a fungal pathogen (Candida albicans). Of the 263 bacterial isolates obtained during this study, 52 isolates displayed antimicrobial activity against one or more pathogens. 16S rRNA gene sequencing revealed that these 52 strains affiliated to 14 genera from three phyla Proteobacteria, Firmicutes and Actinobacteria. Sponge associated bacterial strains F-04, 1-23, 1-33 and G-03 inhibited the growth of all the bacterial pathogens tested in this study and significantly the former 2 strains inhibited the growth of fungal pathogen also. Majority of the potential strains (88.4\% out of 52 strains) inhibited the growth of Bacillus cereus. Interestingly, an actinomycete strain F-04 (isolated from sponge Orina sagittaria) inhibited the growth of methicillin resistant Staphylococcus aureus. In total, 10 volatile organic compounds were determined from the ethyl acetate and hexane extract of the strain F-04 using GC-MS. Overall, marine bacteria isolated during this study demonstrate the potential for the development of broad spectrum antibiotics.

}, keywords = {Anti-MRSA, Antimicrobial activity, Bacterial diversity, Coral reef, Sponge}, issn = {0882-4010}, doi = {10.1016/j.micpath.2020.103972}, author = {Rajasabapathy, Raju and Ghadi, Sanjeev C. and Manikandan, Balakrishnan and Mohandass, Chellandi and Surendran, Akhila and Dastager, Syed G. and Meena, Ram M. and James, Rathinam Arthur} } @article {46628, title = {Apparent umpolung reactivity of indole through [Au]-catalysed cyclisation and lewis-acid-mediated allylation}, journal = {Chemistry-A European Journal}, volume = {26}, year = {2020}, month = {DEC}, pages = {17171-17175}, type = {Article}, abstract = {

The sequential functionalization of indole C2 and C3 in an umpolung fashion was executed with a predesigned substrate and choice of reagents. The developed method comprises gold-catalysed alkynol cycloisomerisation/intramolecular addition of C2 of indole and subsequent BF3.OEt2-mediated regioselective C3 allylation, resulting in the synthesis of the functionalized indoloisoquinolinone scaffold. The reaction involves 5-endo-alkynol cycloisomerisation and the dearomative addition of indole C2 to the intermediate oxocarbenium cation, which results in two equilibrating fused and spiropentacyclic intermediates, which upon treatment with allyl silane in the presence of BF3.OEt2, undergo selective indole C3 allylation. Other nucleophiles, such as hydride, azide and indole, were also found to be compatible with this process.

}, keywords = {Allylation, cyclization, domino reactions, Gold, umpolung}, issn = {0947-6539}, doi = {10.1002/chem.202003441, Early Access Date = NOV 2020}, author = {Shinde, Mahesh H. and Ramana, Chepuri V.} } @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 {46875, title = {Assessing the impact of deviations in optimized multistep flow synthesis on the scale-up}, journal = {Reaction Chemistry \& Engineering}, volume = {5}, year = {2020}, month = {MAY }, pages = {838-848}, type = {Review}, abstract = {

This manuscript highlights the unavoidable connection between manual and self-optimized flow synthesis protocols for multistep flow synthesis and its scale-up. While briefly summarizing the state of the art in the self-optimization approach, a brief summary of industrially scaled-up processes is also given. We have used as a case study the flow synthesis of ivacaftor that is optimized at the laboratory scale and is subjected to specific deviations deliberately. The resulting effects are captured in terms of their effect on the scale-up approach. The analysis shows that small deviations in performance viz. conversion or selectivity at every reaction step would lead to significant deviation in the process and the overall capital investment. Translating {\textquoteleft}{\textquoteleft}laboratory synthesis{\textquoteright}{\textquoteright} into {\textquoteleft}{\textquoteleft}commercial scale manufacturing{\textquoteright}{\textquoteright} needs careful differentiation between an optimized reaction step and realizing a commercially feasible process. We have also highlighted the role of 3D printing in fabricating prototype and scalable flow systems.

}, issn = {2058-9883}, doi = {10.1039/d0re00025f}, author = {Sharma, M. K. and Raval, J. and Ahn, Gwang-Noh and Kim, Dong-Pyo and Kulkarni, A.} } @article {46825, title = {Bio-surfactant: a green and environmentally benign reaction medium for ligand-free Pd-catalyzed Mizoroki-Heck cross-coupling reaction in water}, journal = {Transition Metal Chemistry}, volume = {45}, year = {2020}, month = {SEP}, pages = {403-411}, type = {Article}, abstract = {

A simple and efficient protocol for the ligand-free Mizoroki-Heck coupling reaction of various aryl bromides with different olefins has been reported by using in situ generated PdNPs of size 5-10 nm in aqueous solution of bio-surfactant. The bio-surfactant used in this study is a saponin extract of the seeds of pericarps (pods) of theAcacia concinnaplant. The in situ generated PdNPs have been characterized by various techniques such as HRTEM, EDS and XPS. The influence of various parameters such as the nature and amount of bases, the nature of Pd precatalysts as well as the effect of temperature has been investigated on Mizoroki-Heck coupling reaction. The generated PdNPs significantly coupled the various aryl bromides with different olefins in aqueous extract of the seeds of pericarps (pods) of theAcacia concinnaplant at 100 degrees C. [GRAPHICS] .

}, issn = {0340-4285}, doi = {10.1007/s11243-020-00392-x, Early Access Date = JUN 2020}, author = {Patil, Seema P. and Jadhav, Sanjay N. and Rode, Chandrashekhar V. and Shejwal, Rajendra V. and Kumbhar, Arjun S.} } @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 {46682, title = {Cascade dehydrative amination of glycerol to oxazoline (vol 8, pg 2954, 2018)}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {OCT }, pages = {6740}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Cascade dehydrative amination of glycerol to oxazoline{\textquoteright} by R. Pandyaet al.,Catal. Sci. Technol., 2018,8, 2954-2965, DOI: ;10.1039/C8CY00185E.

}, issn = {2044-4753}, doi = {10.1039/d0cy90089c}, author = {Pandya, R. and Mane, R. and Rode, C. V.} } @article {46952, title = {Catalyst-free regioselective [3+2] cycloadditions of alpha,beta-unsaturated N-arylnitrones with alkenes to access functionalized isoxazolidines: a DFT study}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {899-903}, type = {Article}, abstract = {

The catalyst-free regioselective [3+2]-cycloaddition of alpha,beta-unsaturated N-arylnitrones with alkenes are developed. The series of synthetically important functionalized isoxazolidines are prepared in good to excellent yields by step economic pathway under ligand and transition-metal-free conditions. The regioselective cycloaddition pathway supported by control experiment and computational study.

}, keywords = {DFT study, isoxazolidines, metal and ligand free, nitrone cycloaddition, Regioselective}, issn = {1861-4728}, doi = {10.1002/asia.201901754, Early Access Date = FEB 2020}, author = {Ghosh, Arnab and Mane, Manoj V. and Rode, Haridas B. and Patil, Siddappa A. and Sridhar, Balasubramanian and Dateer, Ramesh B.} } @article {46776, title = {Catalytic reductive deoxygenation of esters to ethers driven by hydrosilane activation through non-covalent interactions with a fluorinated borate salt}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JUL}, pages = {4586-4592}, type = {Article}, abstract = {

We report the catalytic and transition metal-free reductive deoxygenation of esters to ethers through the use of a hydrosilane and a fluorinated borate BArF salt as a catalyst. Experimental and theoretical studies support the role of noncovalent interactions between the fluorinated catalyst, the hydrosilane and the ester substrate in the reaction mechanism.

}, issn = {2044-4753}, doi = {10.1039/d0cy00775g}, author = {Rysak, Vincent and Dixit, Ruchi and Trivelli, Xavier and Merle, Nicolas and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @article {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 {46698, title = {Comprehensive metagenomic insights into a unique mass gathering and bathing event reveals transient influence on a riverine ecosystem}, journal = {Ecotoxicology and Environmental Safety}, volume = {202}, year = {2020}, month = {OCT }, pages = {110938}, type = {Article}, abstract = {

The religious mass gathering and bathing can pose a multitude of significant public health challenges and lead to severe alterations in the river microbial ecology. The Pandharpur Wari is an annual pilgrimage of Maharashtra, India, where millions of devotees carry the footprints of the saint-poets and pay their obeisance to Lord Vitthal on the 11th day of moon{\textquoteright}s waxing phase (Ashadi Ekadashi). As a part of the ritual, the engrossed devotees, walk over 250 km, take a first holy dip in a sacred river Indrayani at Alandi and secondly in Bhima River at Pandharpur. The MinION-based shotgun metagenomic approach was employed to examine the impact of spiritual mass bathing on environmental changes (concerning the river microbial community structure and functions); and public health aspects (in terms of changes in the pathogenic potential and antibiotic resistance). The analysis of bathing and post-bathing samples of both the rivers revealed alterations in the alpha and beta diversity, indicating significant spatiotemporal variations in the overall microbial structure and function. Furthermore, the analysis revealed up to 80\% of differences in the abundance of virulence genes between the bathing and post bathing samples. We observed parallel increase of priority skin and enteric pathogens (ranging from 11\% to 80\%) such as Acinetobacter baumannii, Staphylococcus aureus, Streptococcus pyogenes, Mycobacterium tuberculosis, and Pseudomonas aeruginosa during the bathing event. Moreover, we observed a significant increase in the antibiotic resistance in the bathing samples of Bhima and Indrayani rivers respectively. Altogether, this is the first comprehensive metagenomic study unravelling the influence of religious mass-bathing on the riverine ecosystem.

}, keywords = {Antibiotic resistance, Mass bathing, MinION sequencing, Priority pathogens, Virulence genes}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110938}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Gohil, Kushal and Khairnar, Krishna and Dharne, Mahesh} } @article {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 {46662, title = {Cooperative acid-base sites of solid Ba-Zr mixed oxide catalyst for efficient isomerization of glucose to fructose in aqueous medium}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {OCT}, pages = {12505-12513}, type = {Article}, abstract = {

Efficient and highly selective isomerization of glucose to fructose was achieved by using the inexpensive Ba-Zr mixed metal oxide catalyst. Catalyst was prepared by varying Ba-Zr ratios using co-precipitation method. Various phases formed, planes exposed, morphology, elemental composition and particle size, basic site density and strength, oxidation state of elements were well studied by using various characterization techniques. The XRD analysis clearly indicates the presence of Ba+2 and Zr+4 in the form of BaO, ZrO2 and BaZrO3 phases. The SEM and HR-TEM images indicate that, Ba-Zr (2 : 1) catalyst prepared showed uniform morphology with spherical and rod-shaped particles ranging from 300 to 600 nm. Under the optimized reaction conditions Ba-Zr (2 : 1) catalyst exhibited excellent results in terms of 57 \% of glucose conversion with 89 \% selective formation of glucose. The presence of both acidic as well as basic sites play vital roles in activating the substrate molecules to selectively yield fructose. Ba-Zr (2 : 1) catalyst showed excellent recyclability performance up to four recycles.

}, keywords = {Co-precipitation, fructose, glucose, isomerization, mixed metal oxide}, issn = {2365-6549}, doi = {10.1002/slct.202003071}, author = {Shaikh, Samrin S. and Patil, Chetana R. and Kondawar, Sharda E. and Rode, Chandrashekhar V.} } @article {46760, title = {Correlation between multifunctional properties of lead free Iron doped BCT perovskite ceramics}, journal = {Ceramics International}, volume = {46}, year = {2020}, month = {AUG }, pages = {17495-17507}, type = {Article}, abstract = {

Present study investigates the effect of Fe doping on structural, microstructural, dielectric, ferroelectric, piezoelectric and magnetic properties of Barium calcium titanate (BCT) ceramics synthesized by solid state reaction route. The polycrystalline tetragonal structure of prepared ceramics was confirmed from XRD study. Analysis done using Rietveld refinement reveals reduction in lattice parameters as well as unit cell volume on substitution of Fe3+ ions in BCT lattice. Occurrence of four distinct Raman bands viz. 297 cm(-1) -302 cm(-1), 473 cm(-1)-475 cm(-1), 516 cm(-1) -524 cm(-1) and 729 cm(-1) -733 cm(-1) in Raman spectroscopic studies confirms the tetragonal phase of prepared ceramic compositions which are in accordance with XRD study. The Scanning Electron Microscopy analysis revealed polyhedral shaped grains whose average grain size decreased with increase in Fe content (x) in BCT ceramics. A diffused frequency independent phase transition was observed in temperature dependent dielectric measurements. Dielectric properties improved significantly, with shifting of transition temperature, T c close to room temperature with Fe doping. These studiessuggest applications of these ceramics in the development of environment friendly dielectric materials meeting X7R MLCCs specifications. The ferroelectric and piezoelectric properties of these ceramic compositions were found to decrease with increase in Fe concentration. Feeble room temperature ferromagnetism was observed for composition x = 0.020.

}, keywords = {BCT, dielectric response, Fe doping, ferroelectric properties, Lead free ceramics, Magnetic measurements}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2020.04.045}, author = {Redhu, Preeti and Punia, Rajesh and Hooda, Ashima and Malik, B. P. and Sharma, Geeta and Sharma, Preeti} } @article {47314, title = {Deciphering taxonomic and functional diversity of fungi as potential bioindicators within confluence stretch of Ganges and Yamuna Rivers, impacted by anthropogenic activities}, journal = {Chemosphere}, volume = {252}, year = {2020}, month = {AUG}, type = {Article}, abstract = {

River confluences are interesting ecological niche with limited information in respect of the structure and the functions of diverse microbial communities. Fungi are gaining global attention as promising biological spectacles for defining the trophic status of riverine systems. We condense existing knowledge in confluence diversity in two Indian rivers (i.e. Ganges and Yamuna), by combining sediment metagenomics using long read aided MinION nanopore sequencing. A total of 63 OTU{\textquoteright}s were observed, of which top 20 OTU{\textquoteright}s were considered based on relative abundance of each OTU at a particular location. Fungal genera such as\ Aspergillus, Penicillium,\ Kluveromyces, Lodderomyces,\ and\ Nakaseomyces\ were deciphered as potential bio indicators of river pollution and eutrophication in the confluent zone.\ In silico\ functional gene analysis uncovered hits for neurodegenerative diseases and xenobiotic degradation potential, supporting bioindication of river pollution in wake of anthropogenic intervention.

}, doi = {10.1016/j.chemosphere.2020.126507}, author = {Samson, Rachel and Rajput, Vinay and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @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 {47009, title = {Development of multiple reaction monitoring assay for quantification of carnosine in human plasma}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN }, pages = {763-769}, type = {Article}, abstract = {

Carnosine, a histidine containing dipeptide, exerts beneficial effects by scavenging reactive carbonyl compounds (RCCs) that are implicated in pathogenesis of diabetes. However, the reduced carnosine levels may aggravate the severity of diabetes. The precise quantification of carnosine levels may serve as an indicator of pathophysiological state of diabetes. Therefore, we have developed a highly sensitive targeted multiple reaction monitoring (MRM) method for quantification of carnosine in human plasma samples. Various mass spectrometry parameters such as ionization of precursor, fragment abundance and stability, collision energy, tube lens offset voltage were optimized to develop a sensitive and robust assay. Using the optimized MRM assay, the lower limit of detection (LOD) and limit of quantification (LOQ) for carnosine were found to be 0.4 nM and 1.0 nM respectively. Standard curves were constructed ranging from 1.0 nM to 15.0 mu M and the levels of carnosine in mice and human plasma were determined. Further, the MRM assay was extended to study carnosine hydrolyzing activity of human carnosinases, the serum carnosinase (CN1) and the cytosolic carnosinase (CN2). CN1 showed three folds higher activity than CN2. The MRM assay developed in this study is highly sensitive and can be used for basal plasma carnosine quantification, which can be developed as a novel marker for scavenging of RCCs in diabetes.

}, doi = {10.1039/c9ra08532g}, author = {Pandya, Vaibhav Kumar and Sonwane, Babasaheb and Rathore, Rajeshwari and Unnikrishnan, A. G. and Kumaran, Sangaralingam and Kulkarni, Mahesh J.} } @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 {46787, title = {Directed holey and ordered g-C(3)N(4.5)nanosheets by a hard template nanocasting approach for sustainable visible-light hydrogen evolution with prominent quantum efficiency}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {JUL}, pages = {13328-13339}, type = {Article}, abstract = {

It is desirable yet challenging to synthesize a highly ordered holey carbon nitride material with excess nitrogen atoms for a sustainable solar H(2)evolution. Herein, we report the development of directed highly ordered nitrogen-rich honeycomb-like mesoporous carbon nitride nanosheets by using a novel synthetic approach for this purpose. The unique formation route, surface structure and charge carrier dynamics of the two dimensional holey nanosheets are comprehensively monitored and confirmed by SAXS, HRTEM, AFM, BET, XPS and TRPL analyses. Non-stoichiometric high nitrogen content mesoporous nanosheets with the final stoichiometry of g-C(3)N(4.5)acquiring a high specific surface area (382 m(2)g(-1)), remarkable pore size (7.2 nm) and sheet thickness similar to 5-6 nm are realized in this first report. This elegant material possesses unique low band-gap energy (2.42 eV). Remarkably, the as-synthesized g-C(3)N(4.5)NSs exhibit a record high photocatalytic H(2)evolution rate of 8180 mu mol g(-1)h(-1)under the present light irradiation (420 \<=lambda \<= 510 nm) condition. The apparent quantum efficiency is found to be as high as 27.14\% at 420 nm and retains its photocatalytic activity for longer consecutive catalytic cycles. Bigger pore size and pore volume, and thin walls leading to shortening of the path length of exciton pairs, efficient charge separation and the prolonged average life time of the charge carriers, and lone electron pairs associated with the excess nitrogen content are found to be the reasons behind the excellent visible light driven water splitting reaction.

}, issn = {2050-7488}, doi = {10.1039/d0ta02734k}, author = {Antil, Bindu and Ranjan, Ravi and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {46830, title = {Distinct metabolic states of a cell guide alternate fates of mutational buffering through altered proteostasis}, journal = {Nature Communications}, volume = {11}, year = {2020}, month = {JUN}, pages = {2926}, type = {Article}, abstract = {

Metabolic changes alter the cellular milieu; can this also change intracellular protein folding? Since proteostasis can modulate mutational buffering, if change in metabolism has the ability to change protein folding, arguably, it should also alter mutational buffering. Here we find that altered cellular metabolic states in E. coli buffer distinct mutations on model proteins. Buffered-mutants have folding problems in vivo and are differently chaperoned in different metabolic states. Notably, this assistance is dependent upon the metabolites and not on the increase in canonical chaperone machineries. Being able to reconstitute the folding assistance afforded by metabolites in vitro, we propose that changes in metabolite concentrations have the potential to alter protein folding capacity. Collectively, we unravel that the metabolite pools are bona fide members of proteostasis and aid in mutational buffering. Given the plasticity in cellular metabolism, we posit that metabolic alterations may play an important role in cellular proteostasis.

}, issn = {2041-1723}, doi = {10.1038/s41467-020-16804-6}, author = {Verma, Kanika and Saxena, Kanika and Donaka, Rajashekar and Chaphalkar, Aseem and Rai, Manish Kumar and Shukla, Anurag and Zaidi, Zainab and Dandage, Rohan and Shanmugam, Dhanasekaran and Chakraborty, Kausik} } @article {46730, title = {Effect of physical properties of dispersed phase on the residence time distribution in straight capillaries}, journal = {Chemical Engineering Science}, volume = {222}, year = {2020}, month = {AUG }, pages = {115715}, type = {Article}, issn = {0009-2509}, doi = {10.1016/j.ces.2020.115715}, author = {Raval, Joy and Suryawanshi, Nalinee B. and Kulkarni, Amol A.} } @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 {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 {46837, title = {Engineering pore morphology using silica template route over mesoporous cobalt oxide and its implications in atmospheric pressure carbon dioxide hydrogenation to olefins}, volume = {19}, year = {2020}, month = {JUN}, pages = {100586}, type = {Article}, abstract = {

Highly ordered mesoporous cobalt oxides (denoted as m-Co-KIT-6 and m-Co-SBA-15) with three dimensional and two dimensional pore morphology respectively have been synthesized using 3D KIT-6, and 2D SBA-15 as silica template via nanocasting route. CO2 hydrogenation activity was evaluated for these mesoporous materials under atmospheric pressure conditions. In comparison to nanoparticles of cobalt oxide (Co3O4-nano), mesoporous catalysts showed excellent activity for CO2 hydrogenation due to their higher number of exposed active sites and lower mass diffusion limitations. The ordered mesoporous structure of Co3O4 catalysts favored the chain growth of carbon atoms for the production of C2+ hydrocarbons while Co3O4 nanoparticles showed strong selectivity toward CH4. High selectivity for C2+ (similar to 25\%) was obtained for both m-Co-KIT-6 and m-Co-SBA-15 catalysts at 320 degrees C. In addition, the 3D pore structure of m-Co-KIT-6 catalyst exclusively formed more olefins (54.9\%) fraction. (C) 2020 Published by Elsevier Ltd.

}, keywords = {CO2 hydrogenation, Mesoporous CO3O4, Olefin fraction, Pore morphology, Silica hard template}, issn = {2352-9407}, doi = {10.1016/j.apmt.2020.100586}, author = {Gupta, Sharad and Ciotonea, Carmen and Royer, Sebastien and Dacquin, Jean-Philippe and Vinod, C. P.} } @article {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 {47307, title = {Enhanced anti-ageing and wound healing properties of Ficus religiosa L. bark, leaf and aerial root extract in human keratinocytes cell line (HaCaT)}, journal = {Vegetos}, volume = {33}, year = {2020}, month = {JAN}, pages = {158-165}, type = {Article}, abstract = {

Plants have played a vital role in curative and preventive healthcare.\ Ficus religiosa\ L., a medicinally important tree has been used as a traditional medicine to treat various ailments and skin diseases. However, its skin anti-ageing properties are not yet scientifically evaluated. Here we report the comparison of\ F. religiosa\ bark (FRAqB), leaf (FRAqL) and aerial-roots (FRAqAR) extracts for skin anti-ageing and wound healing properties. FRAqB, FRAqL and FRAqAR extracts preparation, cell culture, RNA isolation, real time PCR, astringent activity and wound healing assay were carried out using standard methods. Axio Observer FL-microscope and ImageJ software were used for wound healing assay analysis. The real time PCR study reveals that matrix metalloproteinase-1 (MMP) RNA was downregulated to 75\% and 95\% for FRAqB and FRAqAR, respectively. For procollagen C-endopeptidase enhancer 1 (PCOLCE), FRAqB and FRAqL enhanced RNA levels by 500\% and 300\%, respectively. FRAqB and FRAqL increased wound healing area to about 60\% and FRAqAR by 50\%. All three extracts demonstrated astringent activity which is significant for skin tightening. The study proves that extracts of\ F. religiosa\ are prominent candidates for pharmaceutical and cosmetic applications such as skin anti-ageing and wound healing.

}, doi = {10.1007/s42535-019-00094-5}, author = {Pandey, Prem and Seo, Hyo Hyun and Kim, Hye-In and Ryu, Seung Hwan and Dingre, Medini and Moh, Sang Hyun and Kulkarni, Atul and Parasharami, Varsha A.} } @article {46971, title = {Enhancing thermomechanical and chemical stability of polymer electrolyte membranes using polydopamine coated nanocellulose}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1988-1999}, type = {Article}, abstract = {

We report here an approach to enhance the chemical and thermomechanical stability of polymer electrolyte membranes without compromising proton conductivity. Multifunctional polydopamine coated nanocellulose (PNC) was prepared by oxidative polymerization of dopamine on nano cellulose fibers and subsequently incorporated in Nafion by solution blending. PNC had a very significant effect on the thermomechanical properties of Nafion showing up to 200\% improvement in the storage modulus at 90 degrees C. The PNC network also enhanced the dimensional stability of Nafion under constant stress. The 3 wt \% PNC composite membrane showed a drastic reduction in creep compliance of about 39.9\% and 46.5\% in J(max) at 30 degrees and 60 degrees C, respectively. Free radical scavenging properties of polydopamine also helped to significantly enhance the chemical stability of Nafion, which was ascertained by accelerated degradation tests conducted in Fenton{\textquoteright}s reagent at 70 degrees C over 40 days. F-19 CP MAS solid state NMR, FTIR, and tensile tests on the membranes show higher chemical stability of the 3 wt \% PNC composite membrane. The proton conductivity of the 3 wt \% PNC composite membrane at 90 degrees C and 100\% RH (similar to 125 mS/cm) was slightly higher than the Nafion membrane (similar to 94 mS/cm) at similar conditions. The retention of proton conductivity even with lower water uptake could be ascribed to proton hopping through polydopamine coated nanocellulose. Performance of the composite membrane was also evaluated in a single stack fuel cell and found to be better than recast Nafion. The benefits derived by this approach are not restricted to Nafion alone and shall broadly apply to many other polymer membranes.

}, keywords = {cellulose nanofibers, chemical stability, dimensional stability, fuel cell, polydopamine, polymer electrolyte membrane}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02417}, author = {Ram, Farsa and Velayutham, Parthiban and Sahu, Akhila Kumar and Lele, Ashish K. and Shanmuganathan, Kadhiravan} } @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 {46981, title = {Epoxy functionalized polymer grafted magnetic nanoparticles by facile surface initiated polymerization for immobilization studies of Candida Antarctica lipase B}, journal = {Reactive \& Functional Polymers}, volume = {147}, year = {2020}, month = {FEB}, pages = {104454}, type = {Article}, abstract = {

Immobilization of Candida Antarctica lipase B (Cal-B) was done on the epoxy functionalized polymer (EFP) grafted magnetic nanoparticles (MNPs) via covalent attachment with the active epoxy groups. The EFP brushes were grafted on iron-oxide based MNPs by a facile surface-initiated atom transfer radical polymerization (ATRP) using activators generated by electron transfer (AGET) of glycidyl methacrylate (GMA). Each step of the surface modification, polymer grafting, and enzyme immobilization process on the polymer grafted MNPs was studied using Fourier transform infrared spectroscopy (FTIR). A thermogravimetric analysis (TGA) calculated the amount of engineered organic components, a transmission electron microscopy (TEM) visualized the core-shell formation of the MNPs, and a vibrating sample magnetometer (VSM) validated their magnetic properties at various modification stages. The lipase immobilization efficiency was described as a function of immobilization time, as well as, enzyme amount. The activity was characterized within a range of pH, temperature, kinetic parameters, resusability and storage stability, for both the free and immoblized Cal-B enzyme. The results of this study suggested that poly(GMA) grafted MNPs can be successfully used for the immobilization of Cal-B with improved efficiencies compared to those obtained with free soluble lipase. The reported enzyme immobilization method appears to be reproducible and scalable for industrial production.

}, keywords = {Cal-B enzymes, enzymes, Immoblization, Magnetic nanoparticles}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2019.104454}, author = {Afzal, Haq Asif and Ghorpade, Ravindra V. and Thorve, Asmita K. and Nagaraja, Sreeharsha and Al-Dhubiab, Bandar E. and Meravanige, Girish and Rasool, Sahibzada Tasleem and Roopashree, Teeka S.} } @article {47012, title = {Exploring the pharmacological potentials of biosurfactant derived from planococcus maritimus SAMP MCC 3013}, journal = {Current Microbiology}, volume = {77}, year = {2020}, month = {MAR}, pages = {452-459}, type = {Article}, abstract = {

Therapeutic potential of biosurfactant (BS) has been improved in recent years. Our present study deals with production of BS from Planococcus maritimus SAMP MCC 3013 in a mineral salt medium (MSM) supplemented with glucose (1.5\% w/v). Further, BS has been purified and partially characterized as glycolipid type through our previous publication. Current research article aimed to evaluate biological potential of BS against Mycobacterium tuberculosis, Plasmodium falciparum and cancerous cell lines. Planococcus derived glycolipid BS was found to be a promising inhibitor of M. tuberculosis (MTB) H37Ra at IC50 64.11 +/- 1.64 mu g/mL and MIC at 160.8 +/- 1.64 mu g/mL. BS also showed growth inhibition of P. falciparum at EC50 34.56 +/- 0.26 mu M. Additionally, BS also displayed the cytotoxicity against HeLa (IC50 41.41 +/- 4.21 mu g/mL), MCF-7 (IC50 42.79 +/- 6.07 mu g/mL) and HCT (IC50 31.233 +/- 5.08 mu g/mL) cell lines. Molecular docking analysis was carried for the most popular glycolipid type BS namely Rhamnolipid (RHL) aiming to interpret the possible binding interaction for anti-tubercular and anti-cancer activity. This analysis revealed the involvement of RHL binding with enoyl reductase (InhA) of M. tuberculosis. Docking studies of RHL with tubulin directed several hydrophobic and Vander Waal interactions to exhibit anti-cancer potential. The present study will be helpful for further development of marine bioactive molecules for therapeutic applications. Their anti-tubercular, anti-plasmodial and cytotoxic activities make BS molecules as a noteworthy candidate to combat several diseases. To the best of our knowledge, this is the first report on projecting the pharmacological potential of Planococcus derived BS. Graphic

}, issn = {0343-8651}, doi = {10.1007/s00284-019-01850-1, Early Access Date = JAN 2020}, author = {Waghmode, Samadhan and Swami, Sagar and Sarkar, Dhiman and Suryavanshi, Mangesh and Roachlani, Sneha and Choudhari, Prafulla and Satpute, Surekha} } @article {46649, title = {FeCl3-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {NOV }, pages = {8459-8466}, type = {Article}, abstract = {

There is an ever-increasing demand for impurity compounds for use in impurity profiling as regulatory agencies seek information during registration. Herein, we report the FeCl3-catalyzed oxidative decarboxylation of aryl- and heteroaryl acetic acids to the corresponding carbonyl compounds. A variety of useful aldehydes and ketones were prepared in a simple one-pot transformation by employing an environmentally benign, low-cost, and readily available iron salt. The utility of this method has been demonstrated by preparing five valuable API impurities including a multi-gram-scale synthesis of ketorolac impurity B for the first time.

}, issn = {1477-0520}, doi = {10.1039/d0ob01790f}, author = {Gangadurai, Chinnakuzhanthai and Illa, Giri Teja and Reddy, D. Srinivasa} } @article {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 {46778, title = {Gas-solid interactions with reactive and inert gas molecules by NAPUPS: can work function be a better descriptor of chemical reactivity?}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {JUL}, pages = {15528-15540}, type = {Article}, abstract = {

The gas-phase vibrational spectra of reactive (H(2)and O-2) and inert gases (N(2)and Ar) have been studied by near-ambient pressure (NAP) ultraviolet photoelectron spectroscopy (NAPUPS) up to 0.3 mbar pressure. The results obtained are divided into two parts and discussed. In the first part, the photoelectron spectra of monoatomic Ar and some homonuclear diatomic molecules, such as H-2, O-2, and N-2, have been recorded by NAPUPS and the effect of pressure on their energy position has been studied. It has been demonstrated that NAPUPS could be an essential tool to determine the intermolecular or interatomic interactions. In the second part, we have evaluated the influence of different solid surfaces on the binding energy (BE) position, the pattern of the vibrational features of diatomic N(2)molecules, and the first atomic levels (3p(3/2)and 3p(1/2)) of monoatomic Ar. It has been observed that with a change in the (electronic/chemical) nature of the surface, the BE of the above features also changes and reflects the change in the work function (phi) of the material. It is to be noted that Ar is an inert/noble gas and N(2)is the most stable molecule, and the above changes observed underscore that they can be employed as probe atoms/molecules to explore even the minor changes that occur on a solid surface due to a variety of reasons. Further, if the solid surface undergoes any chemical/electronic changes due to gas-solid interaction, such as oxidation/reduction, the phi of the surface changes again; this highlights the precise identification of the changes that occur under the reaction/measurement conditions. Therefore, the change in the BE of the gas-phase features can be used to determine even the minor changes in the phi of solid surfaces during the reaction or due to the reaction. The present findings have implications in probing the surface changes that occur in any surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, and materials that are predominantly controlled by surface contribution, such as layered (2D) materials, nanomaterials.

}, issn = {1463-9076}, doi = {10.1039/d0cp02456b}, author = {Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Mhamane, Nitin B. and Ranjan, Ravi and Gopinath, Chinnakonda S.} } @article {46924, title = {Glass transition temperature of polybutadiene and polyisoprene from high temperature segmental relaxation correlation using molecular dynamics}, journal = {Soft Materials}, volume = {18}, year = {2020}, month = {JUL }, pages = {290-296}, type = {Article}, abstract = {

Predicting glass transition temperature for rubber and rubber composites is immensely important for tire industry for the development of products and fine-tune process conditions. Molecular dynamics simulation is been used to predict glass transition temperature as a function of molecular-level structural changes, e.g., composition (functional groups), topology, and polymerization. However, prediction of glass transition temperature within experimental error bar from molecular dynamics simulation is only possible from all atomistic description (model) of the system as united atom and coarse-grained models under-predict the values. Conventional way of calculation of glass transition temperature from density (or any other properties which show sharp transition)-temperature plots are computationally very demanding because of atomistic simulations and simulations below the glass transition point, i.e., in glassy state. Here we report a novel method for calculation of glass transition temperature using only segmental relaxation correlation functions calculated at higher temperatures, i.e., above glass transition temperature. We have presented a protocol here and shown for two polymeric systems polybutadiene and polyisoprene. We believe this method cuts the computational cost of predicting glass transition temperature by one-third and will be applicable for industrial applications for structure-property validations.

}, keywords = {Glass transition temperature, molecular dynamics simulation, Polymers, rubber}, issn = {1539-445X}, doi = {10.1080/1539445X.2020.1739709, Early Access Date = MAR 2020}, author = {Sharma, Pragati and Roy, Sudip} } @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 {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 {46834, title = {Highly efficient chemoselective N-tert butoxycarbonylation of aliphatic/aromatic/heterocyclic amines using diphenylglycoluril as organocatalyst}, journal = {Tetrahedron}, volume = {76}, year = {2020}, month = {JUN }, pages = {131223}, type = {Article}, abstract = {

An efficient approach for the Chemoselective N-tert-butoxycarbonylation of a variety of amines using diphenylglycoluril as organocatalyst has been described. For the first time, a plausible mechanism for the N-tert-butoxycarbonylation has been proposed using density functional theory (DFT) calculations supported by NMR studies. The reusability of the organocatalyst and observation of the desired N-Boc protected amines being formed without the formation of side products like urea, oxazolidinone, isocyanate, and N, N-di-Boc derivatives makes the present protocol desirable. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {DFT studies, Diphenylglycouril, N-tert butoxycarbonylation, organocatalyst, Proton shuttle mechanism}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131223}, author = {Awasthi, Amardeep and Mukherjee, Anagh and Singh, Mandeep and Rathee, Garima and Vanka, Kumar and Chandra, Ramesh} } @article {47021, title = {High-throughput metabolomic and transcriptomic analyses vet the potential route of cerpegin biosynthesis in two varieties of Ceropegia bulbosa Roxb.}, journal = {Planta}, volume = {251}, year = {2020}, month = {JAN}, pages = {28}, type = {Article}, abstract = {

Ceropegia bulbosa is an important medicinal plant, used in the treatment of various ailments including diarrhea, dysentery, and syphilis. This is primarily attributed to the presence of pharmaceutically active secondary metabolites, especially cerpegin. As this plant belongs to an endemic threatened category, genomic resources are not available hampering exploration on the molecular basis of cerpegin accumulation till now. Therefore, we undertook high-throughput metabolomic and transcriptomic analyses using different tissues from two varieties namely, C. bulbosa var. bulbosa and C. bulbosa var. lushii. Metabolomic analysis revealed spatial and differential accumulation of various metabolites. We chemically synthesized and characterized the cerpegin and its derivatives by liquid chromatography tandem-mass spectrometry (LC-MS/MS). Importantly, these comparisons suggested the presence of cerpegin and 5-allyl cerpegin in all C. bulbosa tissues. Further, de novo transcriptome analysis indicated the presence of significant transcripts for secondary metabolic pathways through the Kyoto encyclopedia of genes and genomes database. Tissue-specific profiling of transcripts and metabolites showed a significant correlation, suggesting the intricate mechanism of cerpegin biosynthesis. The expression of potential candidate genes from the proposed cerpegin biosynthetic pathway was further validated by qRT-PCR and NanoString nCounter. Overall, our findings propose a potential route of cerpegin biosynthesis. Identified transcripts and metabolites have built a foundation as new molecular resources that could facilitate future research on biosynthesis, regulation, and engineering of cerpegin or other important metabolites in such non-model plants.

}, keywords = {5-Allyl cerpegin, Ceropegia, Cerpegin, LC-MS, metabolite, Transcriptome}, issn = {0032-0935}, doi = {10.1007/s00425-019-03319-8}, author = {Gharat, Sachin A. and Shinde, Balkrishna A. and Mule, Ravindra D. and Punekar, Sachin A. and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Ramaswamy, Gopalakrishna and Giri, Ashok P.} } @article {46975, title = {Improving the dissolution rate of the anticancer drug dabrafenib}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {FEB}, pages = {1035-1046}, type = {Article}, abstract = {

Dabrafenib (DBF) is an anticancer drug with selective B-Raf (BRAF) inhibition activity. In 2013, DBF was approved by the U.S. Food and Drug Administration (US-FDA) as a dabrafenib mesylate salt (DBF center dot MS). Because of insolubility in aqueous medium, specifically at the pH 4-8 biorelevant range, DBF is a Biopharmaceutics Classification System (BCS) Class II drug (i.e., low solubility and high permeability). Therefore, screening of novel salts and cocrystals was carried out using Generally Recognized as Safe (GRAS) coformers. A total of 10 salts/cocrystals including the mesylate salt were found to be stable under the crystallization conditions. Among acidic coformers, methane sulfonic acid (MS) and saccharin (SACH) formed salts, while fumaric acid (FA), succinic acid (SA), and adipic acid (ADA) gave cocrystals. However, monoamines formed a monohydrate salt where the water molecule is hydrogen bonded with the aminopyrimidine moiety of DBF. The replacement of monoamines with ethylenediamine (EN) dislocated the water molecule near the free amine of EN in the crystal structure with a change in space group from triclinic (P (1) over bar) to monoclinic (P2(1)/n). Dissolution measurements at pH 1.2 (0.1 N HCl) showed that DBF center dot EN superset of H2O dissolved rapidly compared to the DBF.MS salt (the dissolution rate of DBF center dot EN superset of H2O and DBF center dot MS is 11 and 2 times faster than that of DBF). Structure-activity relationship analysis showed that bonding of the aminopyrimidine moiety with strong hydrogen bond synthons inhibited dissolution, whereas a loosely bound or free site at the aminopyrimidine moiety enhanced the dissolution rate. Finally, a cytotoxicity study was performed for DBF, DBF center dot MS, and DBF center dot EN superset of H2O, which showed that DBF center dot EN superset of H2O is safe for normal cells and yet equally potent against cancer cells. Crystal engineering of an improved formulation of dabrafenib center dot ethylenediamine hydrate is presented as a new anticancer drug.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01365}, author = {Rai, Sunil K. and Gunnam, Anilkumar and Mannava, M. K. Chaitanya and Nangia, Ashwini K.} } @article {46977, title = {Influence of gold nanorods on the structure and photonic bandgap in a twist grain boundary phase with smectic C* blocks}, journal = {Journal of Molecular Liquids}, volume = {299}, year = {2020}, month = {FEB }, pages = {112117}, type = {Article}, abstract = {

We describe the first report of the influence of gold nanorods (GNR) on the induced twist grain boundary smectic C* (TGBC*) phase in a binary mixture of achiral bent-core and chiral linear liquid crystals. The GNR concentration-dependent phase diagram of these nanocomposites shows that the thermal range of this twist grain boundary phase having smectic C* blocks phase increases by 50\% for an intermediate composition compared to that for the host binary mixture without nanorods. The inclusion of the nanorods is seen to have substantial effect on the structural and photonic bandgap features of the TGBC* phase. For example, the helical periodidty gets altered in all the three dimensions: while those within the block undergo a huge increase, the one which is orthogonal to the blocks, shrinks. The spacing of the square grid pattern arising normal to the TGB helix direction increases for the nanocomposites getting even doubled for a certain composition, a feature evidenced by optical microscopy as well as optical diffraction. Xray diffraction clearly brings out the feature that the presence of GNR alters the thermal character of the transition between the TGBC* and the cholesteric phase. Quantitative analysis of the data indicates that the system would remain in the vicinity of a possible tricritical point, a behavior having wider ramifications to understand the underlying critical phenomenon. Based on the experimental observations, and capturing the essence of the reported adaptive defect core targeting mechanism we propose a model wherein GNRs get confined in the grain boundary region. This feature offers a potential to have periodic and anisotropic plasmonic structure arising out of the synergetic interactions between the metal nanorod and the twisted grain boundary structure. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {3D photonic bandgap, Gold nanorods, Induced phase, TGBC* phase, Tricritical phenomena}, issn = {0167-7322}, doi = {10.1016/j.molliq.2019.112117}, author = {Sahoo, Rajalaxmi and Rao, D. S. Shankar and Hiremath, Uma S. and Yelamaggad, V. C. and Shinde, Pravin and Bhagavatula L. V. Prasad and Prasad, S. Krishna} } @article {46968, title = {Insights into the catalytic activity of Ru/NaY catalysts for efficient H-2 production through aqueous phase reforming}, journal = {Sustainable Energy \& Fuels}, volume = {4}, year = {2020}, month = {FEB }, pages = {678-690}, type = {Article}, abstract = {

Ruthenium nanoparticles supported on NaY zeolite catalysts were synthesized by a simple ion exchange method. The structural and morphological features of the catalysts were systematically investigated using numerous techniques such as N-2-sorption, XRD, CO2-TPD, H-2-TPR, TEM, SEM, ICP-OES, TGA, CHN analysis, XPS, in situ CO-FTIR and NMR spectroscopy. These novel Ru-NaY catalysts were highly active and selective for H-2 production through aqueous phase reforming (APR) of glycerol and ethylene glycol. Among the various catalysts evaluated for H-2 production, the 3 wt\% Ru-NaY catalyst demonstrated the highest catalytic performance with excellent H-2 selectivity and this catalyst exhibits better activity as compared to many state of the art catalysts reported so far. The superior catalytic activity of 3 wt\% Ru-NaY was attributed to the appropriate Ru metal loading, good metal dispersion, small size of Ru nanoparticles, better metal-support interaction, and higher availability of catalytically active sites (Ru-0) and facilitated water gas shift (WGS) reaction. This catalytic activity result clearly shows that NaY zeolite supported Ru nanoparticles catalysts have excellent potential for H-2 production from biomass-derived compounds.

}, issn = {2398-4902}, doi = {10.1039/c9se00797k}, author = {Gogoi, Pranjal and Nagpure, Atul S. and Kandasamy, Prabu and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {47002, title = {Integration of heterogeneous acid and base catalysis for clean synthesis of jet-fuel precursor from carbohydrates}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {JAN }, pages = {392-400}, type = {Article}, abstract = {

C-12 branched alkane fuel precursor was produced from carbohydrates using an efficient integrated solid acid and base catalysis approach involving: i) isomerisation-dehydration of carbohydrates to 5-(hydroxymethyl)furfural (HMF) over solid acid catalyst having both Lewis and Bronsted sites) in a biphasic MIBK (methylisobutylketone): water + DMSO solvent system and ii) Claisen-Schmidt condensation of crude HMF with MIBK over solid base catalyst. Initially, high yield of jet fuel precursor, (E)-1-(5-(hydroxymethyl)furan-2-yl)-5-methylhex-1-en-3-one from pure HMF and MIBK was achieved over basic CaMgAl(231) catalyst. The glucose dehydration to HMF was optimized in biphasic MIBK: H2O-NaCl: DMSO (8:1.5:0.5; v/v/v) system, with complete glucose conversion and 42\% HMF yield over Zr-Mont possessing both Lewis and Bronsted acid sites. In an integrated dehydration + Claisen-Schmidt condensation sequence, Zr-Mont catalyst was filtered off and the crude HMF with MIBK underwent Claisen-Schmidt condensation over CaMgAl(231) catalyst. The overall 32\% yield of Claisen-Schmidt condensation product was achieved from glucose. MIBK acting also as a product extractant, could be recovered upto 80\%.

}, keywords = {Claisen-Schmidt condensation, dehydration, integrated, jet-fuel precursor, renewable}, issn = {2365-6549}, doi = {10.1002/slct.201903735}, author = {Shinde, Suhas and Tarade, Komal and Mitra, Gaurav and Rode, Chandrashekhar} } @article {46889, title = {Kinetics of hydroformylation of camphene using rhodium-phosphite catalyst}, journal = {International Journal of Chemical Kinetics}, volume = {52}, year = {2020}, month = {JUL}, pages = {485-495}, type = {Article}, abstract = {

Kinetics of hydroformylation of camphene was investigated in the presence of [Rh(CO)(2)(acac)]/P(OPh)(3) catalyst in a temperature range of 363-383 K. The influence of parameters such as stirring speed, camphene, catalyst, ligand concentrations, and partial pressures of H-2 and CO on the activity and selectivity of the catalyst has been studied. The rate showed a first-order dependence with respect to catalyst and camphene concentrations. The effect of partial pressure of hydrogen showed fractional order dependence. The plots of rate versus excess ligand, that is, (P(OPh)(3)) concentration and rate versus CO partial pressure passed through maxima and showed typical substrate/ligand inhibited kinetics. An empirical rate equation has been proposed and found to be in good agreement with the observed rate data. The kinetic parameters and activation energy were also evaluated.

}, keywords = {camphene, homogeneous, Hydroformylation, kinetics, rhodium-phosphite}, issn = {0538-8066}, doi = {10.1002/kin.21364, Early Access Date = APR 2020}, author = {Pagar, Nitin S. and Rajurkar, Kalpendra B. and Deshpande, Raj M.} } @article {46645, title = {Lauric acid sophorolipid: accelerating the gelation of silk fibroin}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {NOV}, pages = {28571-28578}, type = {Article}, abstract = {

Silk fibroin (SF) hydrogels find wide applications in tissue engineering. However, their scope has been limited due to the long gelation time in ambient conditions. This paper shows the reduction in gelation time of silk fibroin to minutes upon doping with a newly synthesized lauric acid sophorolipid (LASL). LASL comprises a fatty acid, lauric acid (with a 12-carbon aliphatic chain), that is derivatized by glucose molecules using a non-pathogenic yeast Candida bombicola. LASL was characterized using spectroscopic (Fourier transform infrared spectroscopy) and chromatographic (high-performance liquid chromatography, thin-layer chromatography, and high-resolution mass spectrometry) methods. This gelation of SF is comparable to the effect of an anionic surfactant, sodium dodecyl sulfate (SDS). The microstructure of SF-LASL hydrogels was investigated by small-angle neutron scattering (SANS) measurements and exhibited the beads-on-a-necklace model. The rheological properties of these hydrogels show similarity to SF-SDS hydrogels, therefore presenting a greener alternative for tissue engineering applications.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03411}, author = {Hirlekar, Swarali and Ray, Debes and Aswal, Vinod K. and Prabhune, Asmita A. and Nisal, Anuya} } @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 {47143, title = {Lignocellulose-derived platform molecules: an introduction}, journal = {Recent Advances in Development of Platform Chemicals}, year = {2020}, month = {JAN}, pages = {1-31}, type = {Book Chapter}, abstract = {

Fossil feedstocks such as crude oil, natural gas, and coal are formed by natural anaerobic decomposition of buried organisms for a period of more than 650\ million years. On the other hand, agrobiomass is quick to grow and becomes a renewable source of chemical and fuel production through processing in a biorefinery.

}, keywords = {Biomass, Biorefinery Cellulose, Lignocellulose Petrofinery, Platform molecules}, doi = {10.1016/B978-0-444-64307-0.00001-9}, author = {Shinde, Suhas H. and Hengne, Amol and Rode, Chandrashekhar V.} } @article {47027, title = {Magnetically separable catalyst for condensation of renewable aldehydes and 2-methylfuran to saturated cyclic oxygenates}, journal = {Fuel Processing Technology}, volume = {197}, year = {2020}, month = {JAN}, pages = {106191}, type = {Article}, abstract = {

The saturated cyclic ethers produced from biomass derived aldehydes and 2-methylfuran are the potential diesel fuel candidates. The synthesis of saturated cyclic ethers is a two step process which involves acid catalyzed condensation of aldehydes with 2-methylfuran and the subsequent selective furan ring hydrogenation of the condensation products. Here, we designed a novel recyclable magnetic solid acid catalyst such as [Fe3O4@SiO2-Pr-Py-H][2HSO(4)(2-)] and employed for the condensation of 2-methylfuran with formaldehyde as model substrates and reaction parameters were optimized. Under the set reaction conditions, condensation of 2-methylfuran with several other aldehydes were also successfully achieved with very good yields. Further, several supported noble metal catalysts were screened in order to find suitable catalyst system for selective furan ring hydrogenation of condensation products. Among those, 5\% Pd/C was found to be very active and selective for furan ring hydrogenation without formation of ring opened products under very low hydrogen pressure at room temperature. Prepared catalysts were thoroughly characterized with sophisticated techniques.

}, keywords = {fuel additives, Hydrogenation, Hydroxyalkylation-alkylation, Magnetic solid acid, Organosilica}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2019.106191}, author = {Tarade, Komal and Shinde, Suhas and Rode, Chandrashekhar} } @article {47315, title = {Metagenome sequencing to unveil microbial community composition and prevalence of antibiotic and metal resistance genes in hypersaline and hyperalkaline Lonar Lake, India}, journal = {Ecological Indicators}, volume = {110}, year = {2020}, month = {MAR}, pages = {105827}, type = {Article}, abstract = {

Lonar Lake (India) is a hyperalkaline and hypersaline soda lake encompassing unique microbial composition and functions. This ecosystem has not been explored for taxonomic diversity and functional aspects (with emphasis on antibiotic and metal resistance genes) using whole metagenome sequencing for multiple years. Bacterial diversity analysis during year 2013, 2016, and 2018 depicted differences in the dominance of Proteobacteria, Firmicutes and Bacteroidetes. For archaeal diversity, a similar pattern persisted with higher abundance of Euryarchaeota. Functional metagenome analyses, indicated presence of antibiotic resistance gene (ARG) and metal resistance gene (MRG) profiles in the lake. A wider continuum of resistance genes with dominant ARG types as multidrug resistance efflux pumps and beta-lactams were also observed. The lake resistome demonstrated fluoroquinolone and acriflavine resistance genes indicating sewage water contamination in the lake. The MRGs linked with resistance to toxic metals (arsenic, cobalt, cadmium, copper, and zinc) and cation efflux protein CusA and cobalt-zinc-cadmium resistance protein revealed metal contamination. This study could be a baseline for understanding prevalence of antibiotic and metal resistance mechanisms resulting from various anthropogenic activities nearby lake, and find integrated approaches for conservation of the precious Lonar Lake ecosystem.

}, keywords = {Archaeal diversity, ARGs, Bacterial diversity, Illumina sequencing, Lonar lake, MRGs}, issn = {1470-160X}, doi = {10.1016/j.ecolind.2019.105827}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Shah, Manan and Rajput, Vinay and Mehetre, Gajanan and Agawane, Sachin and Kamble, Sanjay and Dharne, Mahesh} } @article {46595, title = {Mixed metal oxide: a new class of catalyst for methanol activation}, journal = {Applied Surface Science}, volume = {534}, year = {2020}, month = {DEC}, pages = {147449}, type = {Article}, abstract = {

In this work, we propose a mixed metal oxide as a catalyst and demonstrate it{\textquoteright}s ability to not only activate the MeOH molecule upon adsorption but also dissociate O-H and one of it{\textquoteright}s C-H bonds. MeOH activation is compared on two prominent facets of ZnAl(2)O(4 )viz. (2 2 0) and (31 1). While spontaneous O-H bond dissociation is observed on both facets, C-H bond dissociates only on the (3 1 1) surface. Multiple factors like atomic arrangement and steps on the surface, coordination of surface atoms, and their effective charges have a combined effect on MeOH activation. The (3 1 1) surface offers higher catalytic activity in comparison with (2 2 0) surface. Having a stepped surface, availability of multiple sites, and variation in the charge distribution are some of the reasons for better catalytic performance of (3 1 1) facet. Effect of orientation of MeOH with respect to the surface adds both, information and complexity to the problem. Observations pertinent to understanding this effect are also reported. A detailed analysis of atomic arrangement on the two surfaces provides a rationale as to why MeOH gets dissociated spontaneously on the mixed metal oxide. The promising results reported here opens up a new class of catalyst for research.

}, keywords = {DFT, MeOH, Spontaneous dissociation, ZnAl2O4}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2020.147449}, author = {Mehta, Shweta and Agarwal, Sheena and Kenge, Nivedita and Mekala, Siva Prasad and Patil, Vipul and Raja, T. and Joshi, Kavita} } @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 {46619, title = {Molecular determinant for specificity: differential interaction of alpha-amylases with their proteinaceous inhibitors}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {DEC}, pages = {129703}, type = {Review}, abstract = {

Background: alpha-Amylase inhibitors (alpha-AIs) belong to the discrete classes, and exhibited differential specificities against alpha-amylases from various sources. Several alpha-amylases and their complexes with inhibitors at the molecular level have been studied in detail. Interestingly, some alpha-AIs depict specific and selective interactions amid different insect alpha-amylases. Scope of review: There are studies to understand evolutionary variability and functional differentiation of insect alpha-amylases and their cognate inhibitors. We have examined sequence, structural, and interaction diversity between various alpha-amylases and alpha-AIs. Based on these analyses, we are providing a potential basis for the functional differentiation among certain insect a-amylases concerning mammalian counterparts and their interactions with different proteinaceous alpha-AIs. Major conclusions: Insect alpha-amylases have conserved domain architecture with differences in length, number of disulfide bonds, and secondary structure. Furthermore, few of them exhibit variable characteristics like chloride dependent activity, the presence of N-terminal glutamine residue to protect against proteolytic degradation, and loop variations near the enzyme active site. Conformation of alpha-AI protein could be an essential factor for their specificity and binding affinities towards target alpha-amylase(s). Furthermore, variation into the enzyme binding pocket residues might contribute to differential interactions with inhibitors. General significance: Molecular insights in the interactions between insect alpha-amylases and plant alpha-AI will provide the details of mechanisms assisting the inhibitor specificity. Furthermore, this information will help to design potent and effective alpha-AIs against specific alpha-amylase.

}, keywords = {Active site, alpha-amylase, alpha-amylase inhibitor, Insect, molecular interactions}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2020.129703}, author = {Rane, Ashwini S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {46637, title = {Molecular investigation of coleopteran specific alpha-amylase inhibitors from amaranthaceae members}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV}, pages = {1444-1450}, type = {Article}, abstract = {

alpha-Amylase inhibitors (alpha-AIs) target alpha-amylases and interfere with the carbohydrate digestion of insects. Among different classes of alpha-AIs, a knottin-type inhibitor from Amaranthus hypochondriacus (AhAI) was found to be specific against coleopteran storage pests. In this report, we have characterized three previously unidentified knottin-type alpha-AIs from various Amaranthaceae plants namely, Amaranthus hypochondriacus (AhAI2), Alternanthera sessilis (AsAI) and Chenopodium quinoa (CqAI). They contain a signal peptide, pro-peptide, and mature peptide. The mature peptides of the new alpha-AIs shared 68 to 78\% identity with AhAI and have highly variable pro-peptide regions. Along with the cystine-knot fold, they showed conservation of reactive site residues. All recombinant alpha-AIs were successfully expressed in their active form and native state using an oxidative cytoplasmic environment. Inhibition studies against various amylases revealed that these inhibitors showed selective inhibition of coleopteran recombinant insect alpha-amylases viz., Tribolium castaneum, and Callosobruchus chinensis. Tribolium castaneum alpha-amylase inhibition potency was highest for AhAI2 (Ki similar to 15 mu M) followed by AsAI (Ki similar to 43 mu M) and CqAI (Ki similar to 61 mu M). Interaction analysis of these inhibitors illustrated that the reactive site of inhibitors make several non-covalent interactions with the substrate-binding pocket of coleopteran alpha-amylases. The selectivity of these inhibitors against coleopteran a-amylases highlights their potential in storage grain pest control. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {alpha-amylase, alpha-amylase inhibitor, Amaranthaceae, Coleoptera, Knottin-type}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.219}, author = {Rane, Ashwini S. and Venkatesh, Varun and Joshi, Rakesh S. and Giri, Ashok P.} } @article {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 {46894, title = {Novel cilengitide-based cyclic RGD peptides as alpha nu beta(3) integrin inhibitors}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {APR}, pages = {127039}, type = {Article}, abstract = {

In this letter, we report a series of five new RGD-containing cyclic peptides as potent inhibitors to alpha nu beta(3) integrin protein. We have incorporated various unnatural lipophilic amino acids into the cyclic RGD framework of cilengitide, which is selective for alpha nu beta(3) integrin. All the newly synthesized cyclic peptides were evaluated in vitro solid phase binding assay and investigated for their binding behaviour towards integrin subtypes. All the cyclic peptides were synthesized in excellent yield following solution-phase coupling strategy. The cyclic RGD peptides 1a-e exhibited IC50 of 9.9, 5.5, 72, 11 and 3.3 nM, respectively, towards a alpha nu beta(3) integrin protein. This finding offers further opportunities for the introduction unusual amino acids into the cyclic peptide framework of cilengitide.

}, keywords = {Anticancer drugs, Cilengitide, Integrins, RGD cyclicpeptides}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127039}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Weinmueller, Michael and Reichart, Florian and Dangi, Abha and Marelli, Udaya Kiran and Zahler, Stefan and Sanjayan, Gangadhar J.} } @article {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 {47136, title = {Ofloxacin-loaded PLLA nanofibrous mats for wound dressing applications}, journal = {ACS Applied Bio Materials}, volume = {3}, year = {2020}, month = {AUG}, pages = {6648{\textendash}6660}, type = {Article }, abstract = {

Poly(l-lactide) (PLLA) was synthesized from l-lactide in the presence of a zinc salen complex. Ofloxacin (OFLX)-loaded PLLA nanofibrous mats were fabricated by electrospinning using dichloromethane/dimethyl sulfoxide (4:1 v/v) solutions containing different amounts of OFLX (1, 3, 5, and 10 w/w\%). The morphology and diameter of nanofibrous mats were studied by scanning electron microscopy (SEM). The internal morphology of the nanofibers was examined by transmission electron microscopy (TEM). Miscibility between OFLX and PLLA in nanofibrous mats was confirmed by attenuated total reflection{\textendash}Fourier transform infrared (ATR{\textendash}FTIR) spectroscopy. Differential scanning calorimetry (DSC) confirmed the interaction of OFLX with PLLA nanofibrous mats. The presence of OFLX in PLLA nanofibrous mats increased the tensile strength significantly, which was confirmed by dynamic mechanical analysis (DMA). The in vitro drug release profile was studied at pH values 4.6, 5.8, and 7.4. OFLX-loaded PLLA nanofibrous mats showed burst release till first 12 h, and sustained release followed up to 168 h. The in vitro biocompatibility test of nanofibrous mats was carried out using the 3-(4,5-dimethylthiazol-2yl)-2,5-diphenyl tetrazolium bromide (MTT) assay against the NIH/3T3 fibroblast cell line. The results of MTT assay demonstrated cell viability and cell proliferation at a concentration as low as 10 w/w\%, which proved their nontoxicity and biocompatibility. OFLX-loaded PLLA nanofibrous mats exhibited good antibacterial activity against Staphylococcus aureus and Escherichia coli. The in vivo wound healing study on rats showed 44, 65, and 88\% wound closure rates on 14th day with control, PLLA, and OFLX-loaded PLLA nanofibrous mats, respectively. The results proved that the PLLA nanofibrous mats loaded with an appropriate concentration of OFLX are promising candidates for wound dressing applications.

}, keywords = {nanofibers nontoxic biocompatible, PLLA ofloxacin, wound dressing}, doi = {10.1021/acsabm.0c00290}, author = {Rade, Priyanka P. and Garnaik, Baijayantimala} } @article {46738, title = {One pot hydrogenation of furfural to 2-methyl tetrahydrofuran over supported mono- and Bi-metallic catalysts}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {AUG }, pages = {9590-9600}, type = {Article}, abstract = {

2-Methyltetrahydrofuran is a valuable commercial product that can be obtained by direct hydrogenation of furfural. In the present study, among several carbon supported bimetallic Ir-Ni catalysts with different loadings screened, 4\% Ir-4\% Ni/C catalyst showed excellent activity in terms of direct conversion (99\%) to 2-MeTHF with a maximum selectivity of similar to 74\% at 220 degrees C and 750 psig, suppressing the formation of side chain as well as ring opening products. The catalytic activity was found to be mainly affected by catalyst preparation methods, metal loadings, surface composition, temperature, pressure and catalyst loading. HR-TEM and STEM revealed well dispersed Ir-Ni NPs having the particle sizes in the range of 2 to 5 nm. Different phases of Ir i. e. Ir degrees and IrO(2)as well as oxygen vacancies were found to be responsible for hydrogenation of furfural to 2-methyl furan while, Ni degrees and NiO were responsible for further hydrogenation to 2-MeTHF. The synergic effect between Ir and Ni was established through XPS, H-2-TPR analysis. With the help of some control experiments, the plausible reaction pathway was also proposed. The catalyst prepared by co-impregnation method found more effective than prepared by sequential addition method. At lower Ni loadings of 1\% and 2\%, low temperature of 160 degrees C as well as at low H(2)pressure of 250 psig, mixture of furfuryl alcohol and 2-methyl furan were formed selectively. Catalyst could be successfully reused up to 3 times without leaching of metals.

}, keywords = {2-Methyltetrahydrofuran, Bimetallic catalyst, furfural, Hydrogenation, OER type mechanism}, issn = {2365-6549}, doi = {10.1002/slct.202002322}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K. -W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @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 {46958, title = {Organocatalytic cascade knoevenagel-michael addition reactions: direct synthesis of polysubstituted 2-amino-4H-chromene derivatives}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {AUG}, pages = {2331-2351}, type = {Article}, abstract = {

In this report, we documented novel strategy for the synthesis of bioactive polysubstituted 2-amino-4H-chromine derivatives under a heterogeneous Al-MCM-41-LDH@APTES (ALAM) catalysis. A synthetic procedure is developed to prepare Al-MCM-41-LDH@APTES (ALAM) heterogeneous basic catalysts. Mesoporous Al-MCM-41 is functionalized by known grafting chemistry via layered double hydroxide (LDH) nanosheets and (3-aminopropyl)triethoxysilane (APTES) moiety as a basic organocatalyst. The resulting catalysts contain amino group functionality on the external surface as well as inside the layers and the basicity can be tuned by the loading of APTES. The samples were fully characterized by Si-29 and C-13 CP/MAS NMR, infrared absorption spectroscopy, TEM, XPS, EDX, TGA, XRD, CO2-TPD, N-2 adsorption isotherms measurements, and they were successfully examined for the cascade type Knoevenagel-Michael addition reactions. The product yields associated with these substrates were optimized, and key reaction parameters affecting the yields were identified. The present catalytic method is simple and robust for diversity oriented synthesis which proceeds good to excellent yields without generating any hazards waste. The broad substrate scope, excellent functional group compatibility makes this protocol highly useful towards synthesis of polysubstituted alpha-cyanoacrylates, alpha-cyanoacrylonitriles and 2-amino-4H-chromenes with an electron-donating or electron-withdrawing group. We have also successfully established a flow reaction system, gram-scale synthesis as well as catalyst recyclability up to six catalytic cycles without appreciable loss of its activity. Graphic

}, keywords = {2-Amino-4H-chromines, Amine functionalized solid catalysts, cascade synthesis, Diversity oriented syntheses (DOS), flow chemistry}, issn = {1011-372X}, doi = {10.1007/s10562-019-03089-8, Early Access Date = FEB 2020}, author = {Jadhav, Sanjay N. and Patil, Seema P. and Sahoo, Dipti Prava and Rath, Dharitri and Parida, Kulamani and Rode, Chandrashekhar V.} } @article {46888, title = {Overturning the peribysin family natural products isolated from periconia byssoides OUPS-N133: synthesis and stereochemical revision of peribysins A, B, C, F, and G}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {APR}, pages = {3104-3109}, type = {Article}, abstract = {

Herein we report the stereochemical revision of peribysins A, B, C, F, and G, guided by enantiospecific total synthesis starting from (+)-nootkatone. Furthermore, we reconfirmed the absolute stereochemistry of peribysin Q The highlights of the synthesis are enone transposition and kinetic iodination resulting in separation of diastereomers. Our findings coupled with synthetic and biological data previously reported by Danishefsky{\textquoteright}s group suggest that the original stereochemistries of peribysins A, B, C, F, and G were misassigned.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c00857}, author = {Athawale, Paresh R. and Kalmode, Hanuman P. and Motiwala, Zenia and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {46686, title = {Oxidative rearrangement of stilbenes to 2,2-diaryl-2-hydroxyacetaldehydes}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25199-25208}, type = {Article}, abstract = {

A one-pot oxone-mediated/iodine-catalyzed oxidative rearrangement of stilbenes leading to 2,2-diary1-2-hydroxyacetaldehydes is described. Control experiments revealed that a 2,2-diarylacetaldehyde was initially formed that undergoes subsequent alpha-hydroxylation. The resulting alpha-hydroxyaldehydes have been subjected to a one-pot Still Gennari olefination followed by cyclization, leading to S,S-diaryl-y-butenolides.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03328}, author = {Kalshetti, Rupali G. and Ramana, V. Chepuri} } @article {46726, title = {Pan-genomics of Ochrobactrum species from clinical and environmental origins reveals distinct populations and possible links}, journal = {Genomics}, volume = {112}, year = {2020}, month = {SEP}, pages = {3003-3012}, type = {Article}, abstract = {

Ochrobactrum genus is comprised of soil-dwelling Gram-negative bacteria mainly reported for bioremediation of toxic compounds. Since last few years, mainly two species of this genus, O. intermedium and O. anthropi were documented for causing infections mostly in the immunocompromised patients. Despite such ubiquitous presence, study of adaptation in various niches is still lacking. Thus, to gain insights into the niche adaptation strategies, pan-genome analysis was carried out by comparing 67 genome sequences belonging to Ochrobactrum species. Pan-genome analysis revealed it is an open pan-genome indicative of the continuously evolving nature of the genus. The presence/absence of gene clusters also illustrated the unique presence of antibiotic efflux transporter genes and type IV secretion system genes in the clinical strains while the genes of solvent resistance and exporter pumps in the environmental strains. A phylogenomic investigation based on 75 core genes depicted better and robust phylogenetic resolution and topology than the 16S rRNA gene. To support the pan-genome analysis, individual genomes were also investigated for the mobile genetic elements (MGE), antibiotic resistance genes (ARG), metal resistance genes (MRG) and virulence factors (VF). The analysis revealed the presence of MGE, ARG, and MRG in all the strains which play an important role in the species evolution which is in agreement with the pan-genome analysis. The average nucleotide identity (ANI) based on the genetic relatedness between the Ochrobactrum species indicated a distinction between individual species. Interestingly, the ANI tool was able to classify the Ochrobactrum genomes to the species level which were assigned till the genus level on the NCBI database.

}, keywords = {Antibiotic resistance, Average nucleotide identity, Clinical and environmental strains, Core genes, MinION, Virulence factors}, issn = {0888-7543}, doi = {10.1016/j.ygeno.2020.04.030}, author = {Gohil, Kushal and Rajput, Vinay and Dharne, Mahesh} } @article {46951, title = {Pd-catalyzed annulation of beta-iodovinyl sulfones with 2-halophenols: a general route for the synthesis of 3-sulfonyl benzofuran derivatives}, journal = {Advanced Synthesis \& Catalysis}, volume = {362}, year = {2020}, month = {MAR}, pages = {1317-1322}, type = {Article}, abstract = {

The palladium-catalyzed annulation between beta-iodovinyl sulfones and 2-halophenols or 1-bromo-2-naphthol or 2-bromo-3-pyridinol is presented. The annulation process involving oxa-Michael addition-elimination and intramolecular Heck reaction leading to form 2,3-disubstituted benzofurans (aryl benzofuryl sulfones) in good to high yields. The regioselective tandem construction of C-O and C-C bonds has been achieved with a variety of substitution patterns. Moreover, the tandem process is reliable at gram-scale reactions and a plausible mechanism is also proposed.

}, keywords = {Benzofurans, beta-Iodovinyl sulfones, Heck reaction, Naphthofurans, oxa-Michael addition}, issn = {1615-4150}, doi = {10.1002/adsc.201901550, Early Access Date = FEB 2020}, author = {Reddy, Raju Jannapu and Kumar, Jangam Jagadesh and Kumari, Arram Haritha and Krishna, Gamidi Rama} } @article {46866, title = {Phenylboronic acid-catalyzed tandem construction of S-S and C-S bonds: a new method for the synthesis of benzyl disulfanylsulfone derivatives from S-benzyl thiosulfonates}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {MAY }, pages = {3243-3248}, type = {Article}, abstract = {

A unique phenylboronic acid-catalyzed dimerization-sulfonylation of S-benzyl thiosulfonates has been disclosed. A metal-free tandem construction of S-S and C-S bonds is an operationally simple method to access a wide range of benzyl disulfanylsulfone derivatives in high to excellent yields. Moreover, the robustness of this tandem transformation has been demonstrated by gram-scale reactions, and a plausible mechanism is also proposed.

}, issn = {1477-0520}, doi = {10.1039/d0ob00442a}, author = {Reddy, Raju Jannapu and Waheed, Md and Krishna, Gamidi Rama} } @article {46794, title = {Phosphorous-doped graphitic material as a solid acid catalyst for microwave-assisted synthesis of beta-ketoenamines and baeyer-villiger oxidation}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {JUL }, pages = {15962-15972}, type = {Article}, abstract = {

Synthesis of phosphorous-doped graphitic materials (P-Gc) using phytic acid as a precursor was done in a microwave oven in a cost- and time-effective green way. The material was used as a solid acid catalyst for microwave (MW)-assisted synthesis of beta-ketoenamines and Baeyer-Villiger (By) oxidation. In the case of BV oxidation, hydrogen peroxide (H2O2) was used as a green oxidant. For beta-ketoenamines, in most cases, 100\% conversion with an similar to 95\% yield was achieved in ethyl acetate medium. In solvent-free conditions, the yield of beta-ketoenamines was similar to 75\%. A kinetic study suggested that the resonance stabilization of the positive reaction center happens in the transition state for beta-ketoenamine synthesis. In BV oxidation, cyclic ketones were converted to their corresponding cyclic esters in good to high yields (similar to 80\% yield) in a shorter reaction time (6-20 min). As per our knowledge, this is the first report of BV oxidation catalyzed by a heteroatom-doped graphitic material. For BV oxidation, the phosphoric acid functional groups present in P-Gc might increase the electrophilicity of the carbonyl group of the ketones to compensate for the weakness of H2O2 as a nucleophile and a spiro-bisperoxide intermediate has been identified in high-resolution mass spectrometry.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c01231}, author = {Maity, Sayantan and Ram, Farsa and Dhar, Basab Bijayi} } @article {46702, title = {Photocatalytic hydrogen generation and CO2 conversion using g-C3N4 decorated dendritic fibrous nanosilica: role of interfaces between silica and g-C3N4}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {8150-8158}, type = {Article}, abstract = {

We have synthesized g-C3N4 decorated over dendritic fibrous nanosilica (DFNS). The generation of C-N-Si interfaces by coating each fiber of DFNS with g-C3N4 not only provided high surface area but also affected the optical and electronic properties of the composite. The catalyst synthesis reproducibility issue of g-C3N4 was resolved using a vacuum-sealed quartz tube. The extended light absorption in the visible region, enhanced lifetime of photogenerated charge carriers due to the formation of interfaces between silica and g-C3N4 (confirmed by solid-state NMR), and increased surface area result in the improved photocatalytic activity of DFNS/g-C(3)N(4)for hydrogen generation and CO2 conversion.

}, keywords = {CO2 conversion, DFNS, g-C3N4, Hydrogen generation, nanocatalysts, photocatalysts, Solid-state NMR}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01265}, author = {Rawool, Sushma A. and Samanta, Anupam and Ajithkumar, T. G. and Kar, Yusuf and Polshettiwar, Vivek} } @proceedings {47332, title = {Photocatalytic hydrogen production from H2S using nanostructured CNT blended CdZnS/Fe2O3 thin film on glass substrate}, volume = {1495}, year = {2020}, month = {MAR}, publisher = {IOP Publishing Ltd}, abstract = {

A co-precipitation method was employed to prepare the CNT blended CdZnS/Fe2O3\ photocatalyst. Using the powder photocatalyst, the thin film of CNT blended CdZnS/Fe2O3\ photocatalyst over a glass substrate was prepared using the drop-casting method. The obtained thin film was characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy-dispersive X-ray analysis (EDAX), photoluminescence (PL), and hydrogen production activity studies in order to obtain information on their structural, morphology, chemical composition, optical and hydrogen production efficiency. The hydrogen production activity of catalyst or effective conversion of H2S into hydrogen (H2) and sulfur (S) using thin-film photocatalyst was evaluated using a simulated sulfide solution. The results showed that 1 mg of CNT blended CdZnS/Fe2O3\ catalyst coated as thin film over glass substrate (4.69 cm2) showed the highest hydrogen production value of 3180 μmol h-1g-1; compared to that of 1 mg CNT blended CdZnS/Fe2O3\ powder of 2510 μmol h-1g-1. From the above results, it is concluded that the thin film form of photocatlyst produced more hydrogen than the powder form. This is attributed to the effective charge separation and increased specific surface area in thin film photocatalyst.

}, doi = {10.1088/1742-6596/1495/1/012035}, author = {Raja, M. Anthony and Vijayarengan, Preethi and Pal, Yash and Nalajala, Naresh and Gopinath, Chinnakonda} } @article {46949, title = {Phytochemicals in cancer treatment: from preclinical studies to clinical practice (vol 10, 1614, 2020)}, journal = {Frontiers in Pharmacology}, volume = {11}, year = {2020}, month = {FEB }, pages = {175}, type = {Correction}, keywords = {Anticancer, clinical, medicinal plants, phytochemicals, preclinical}, issn = {1663-9812}, doi = {10.3389/fphar.2020.00175}, author = {Choudhari, Amit S. and Mandave, Pallavi C. and Deshpande, Manasi and Ranjekar, Prabhakar and Prakash, Om} } @article {46986, title = {Phytochemicals in cancer treatment: from preclinical studies to clinical practice}, journal = {Frontiers in Pharmacology}, volume = {10}, year = {2020}, month = {JAN}, pages = {1614}, type = {Review}, abstract = {

Cancer is a severe health problem that continues to be a leading cause of death worldwide. Increasing knowledge of the molecular mechanisms underlying cancer progression has led to the development of a vast number of anticancer drugs. However, the use of chemically synthesized drugs has not significantly improved the overall survival rate over the past few decades. As a result, new strategies and novel chemoprevention agents are needed to complement current cancer therapies to improve efficiency. Naturally occurring compounds from plants known as phytochemicals, serve as vital resources for novel drugs and are also sources for cancer therapy. Some typical examples include taxol analogs, vinca alkaloids such as vincristine, vinblastine, and podophyllotoxin analogs. These phytochemicals often act via regulating molecular pathways which are implicated in growth and progression of cancer. The specific mechanisms include increasing antioxidant status, carcinogen inactivation, inhibiting proliferation, induction of cell cycle arrest and apoptosis; and regulation of the immune system. The primary objective of this review is to describe what we know to date of the active compounds in the natural products, along with their pharmacologic action and molecular or specific targets. Recent trends and gaps in phytochemical based anticancer drug discovery are also explored. The authors wish to expand the phytochemical research area not only for their scientific soundness but also for their potential druggability. Hence, the emphasis is given to information about anticancer phytochemicals which are evaluated at preclinical and clinical level.

}, keywords = {Anticancer, clinical, medicinal plants, phytochemicals, preclinical}, issn = {1663-9812}, doi = {10.3389/fphar.2019.01614}, author = {Choudhari, Amit S. and Mandave, Pallavi C. and Deshpande, Manasi and Ranjekar, Prabhakar and Prakash, Om} } @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 {46877, title = {Poly (vinylpyrrolidone)-iodine engineered poly (epsilon-caprolactone) nanofibers as potential wound dressing materials}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {110}, year = {2020}, month = {MAY}, pages = {110731}, type = {Article}, abstract = {

Facilitating the process of wound healing and effective treatment of wounds remains a serious challenge in healthcare. Wound dressing materials play a major role in the protection of wounds and in accelerating the natural healing process. In the present study, novel core/shell (c/s) nanofibrous mats of poly(vinyl pyrrolidone)-iodine (PVPI) and polycaprolactone (PCL) were fabricated using a co-axial electrospinning process followed by their surface modification with poly-L-lysine. The developed nanofibrous mats were extensively characterized for their physicochemical properties using various analytical techniques. The core/shell structure of the PVP-I/PCL nanofibers was confirmed using TEM analysis. The PVP-I release studies showed an initial burst phase followed by a sustained release pattern of PVP-I over a period of 30 days. The developed nanofibers exhibited higher BSA and fibrinogen adsorption as compared to pristine PCL. Cytotoxicity studies using MTT assay demonstrated that the PVP-I/PCL (c/s) nanofibers were cytocompatible at optimized PVP-I concentration (3 wt\%). The PCL-poly-L-lysine and PVP-I/PCL-poly-L-lysine nanofibers exhibited higher cell viability (24.2\% and 21.4\% higher at day 7) when compared to uncoated PCL and PVP-I/PCL nanofibers. The PVP-I/PCL nanofibers showed excellent antimicrobial activity against both Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria. The inflammatory response of Mouse RAW 264.7 macrophage cells towards the nanofibers was studied using RTPCR. It revealed that the pro-inflammatory cytokines (TNF-alpha and IL-1 beta) were significantly upregulated on PCL nanofibers, while their expression was comparatively lower on poly-L-lysine coated PCL or PVP-I/PCL(c/s) nanofibers. Overall, the study highlights the ability of poly-L-lysine coated PVP-I/PCL (c/s) nanofibers as potential wound dressing materials effectively facilitating the early stage wound healing and repair process by virtue of their selective modulation of inflammation, cell adhesion and antimicrobial properties.

}, keywords = {biodegradable, Controlled release, Core/shell, electrospinning, scaffolds, tissue engineering}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.110731}, author = {Shitole, Ajinkya A. and Raut, Piyush and Giram, Prabhanjan and Rade, Priyanka and Khandwekar, Anand and Garnaik, Baijayantimala and Sharma, Neeti} } @article {46666, title = {Polymer nanorings with uranium specific clefts for selective recovery of uranium from acidic effluents via reductive adsorption}, journal = {ACS Sensors}, volume = {5}, year = {2020}, month = {OCT}, pages = {3254-3263}, type = {Article}, abstract = {

Nanostructured polymeric materials, functionalized with an appropriate receptor, have opened up newer possibilities for designing a reagent that shows analyte-specific recognition and efficient scavenging of an analyte that has either a detrimental influence on human physiology and environment or on its recovery for further value addition. Higher active surface area, morphological diversity, synthetic tunability for desired surface functionalization, and the ease of regeneration of a nanostructured material for further use have provided such materials with a distinct edge over conventional reagents. The use of a biodegradable polymeric backbone has an added significance owing to the recent concern over the impact of polymers on the environment. Functionalization of biodegradable sodium alginate with AENA (6.85\% grafting) as the receptor functionality led to a unique open framework nanoring (NNRG) morphology with a favorable spatial orientation for specific recognition and efficient binding to uranyl ions (U) in an aqueous medium over a varied pH range. Nanoring morphology was confirmed by transmission electron microscopy and atomic force microscopy images. The nanoscale design maximizes the surface area for the molecular scavenger. A combination of all these features along with the reversible binding phenomenon has made NNRG a superior reagent for specific, efficient uptake of UO22+ species from an acidic (pH 3-4) solution and compares better than all existing UO22+-scavengers reported till date. This could be utilized for the recovery of uranyl species from a synthetic acidic effluent of the nuclear power. The results of the U uptake experiments reveal a maximum adsorption capacity of 268 mg of U per g of NNRG in a synthetic nuclear effluent. X-ray photoelectron spectroscopy studies revealed a reductive complexation process and stabilization of U(IV)-species in adsorbed uranium species (U@NNRG).

}, keywords = {biodegradable polymeric backbone, molecular recognition, nanostructured material, sodium alginate, uranium, uranyl-specific receptor}, issn = {2379-3694}, doi = {10.1021/acssensors.0c01684}, author = {Kushwaha, Shilpi and Mane, Manoj and Ravindranathan, Sapna and Das, Amitava} } @article {46632, title = {Process development for 6-aminopenicillanic acid production using lentikats-encapsulated escherichia coli cells expressing penicillin V acylase}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {NOV }, pages = {28972-28976}, type = {Article}, abstract = {

Penicillin V acylase (PVA, EC 3.5.1.11) hydrolyzes the side chain of phenoxymethylpenicillin (Pen V) and finds application in the manufacture of the pharmaceutical intermediate 6-aminopenicillanic acid (6-APA). Here, we report the scale-up of cultivation of Escherichia coli whole cells expressing a highly active PVA from Pectobacterium atrosepticum and their encapsulation in polyvinyl alcohol-poly(ethylene glycol) Lentikats hydrogels. A biocatalytic process for the hydrolysis of 2\% (w/v) Pen V was set up in a 2 L reactor using the Lentikats-immobilized whole cells, with a customized setup to enable continuous downstream processing of the reaction products. The biocatalytic reaction afforded complete conversion of Pen V for 10 reaction cycles, with an overall 90\% conversion up to 50 cycles. The bioprocess was further scaled up to the pilot-scale at 10 L, enabling complete conversion of Pen V to 6-APA for 10 cycles. The 6-APA and phenoxy acetic acid products were recovered from downstream processing with isolated yields of 85-90 and 87-92\%, respectively. Immobilization in Lentikats beads improved the stability of the whole cells on storage, maintaining 90-100\% activity and similar conversion efficiency after 3 months at 4 degrees C. The robust PVA biocatalyst can be employed in a continuous process to provide a sustainable route for bulk 6-APA production from Pen V.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c02813}, author = {Sawant, Amol M. and Sunder, Avinash Vellore and Vamkudoth, Koteswara Rao and Ramasamy, Sureshkumar and Pundle, Archana} } @article {46855, title = {PVDF/BaTiO3 films with nanocellulose impregnation: investigation of structural, morphological and mechanical properties}, journal = {Journal of Alloys and Compounds}, volume = {823}, year = {2020}, month = {MAY}, pages = {153701}, type = {Article}, abstract = {

Polyvinylidene fluoride (PVDF) composite films have witnessed widespread applications in biomedical and flexible electronic devices in recent years. These applications require a material that has enhanced electrical properties, mechanical flexibility along with sufficient strength. A lot of research has been carried out to enhance the piezoelectric and dielectric properties of the PVDF composite films. However, the improvements in the mechanical properties of nano filler reinforced PVDF composite films has not received due attention. In this regard, the present work focuses towards enhancing the mechanical strength and load-bearing capability of PVDF, by preparing composites of PVDF films impregnated with Cellulose Nanocrystals (CNC) and Barium Titanate (BTO) nanoparticles. Solution casting method was adapted to fabricate the PVDF/BTO/CNC films. X-ray diffractograms and FTIR (Fourier Transform infrared spectroscopy) corroborate the presence of ferroelectric gamma phase in PVDF. Mechanical and viscoelastic measurements have been carried out to examine the influence of CNC and BTO nano fillers in the PVDF matrix. The addition of CNC and BTO in PVDF film has improved the mechanical strength significantly. The stress achieved for PVDF/5\% BTO and PVDF/5\% BTO with 0.9\% of CNC at 5\% strain was 17\% and 130\% higher than the pristine PVDF, respectively. This study can be helpful for the design engineers to meet custom/specific requirements for a myriad of end- user applications such as piezoelectric nanogenerators. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {BaTiO3, Composite films, Mechanics, Morphology, Nanocellulose, PVDF}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.153701}, author = {Ram, Farsa and Kaviraj, P. and Pramanik, R. and Krishnan, Amrutha and Shanmuganathan, Kadhiravan and Arockiarajan, A.} } @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 {46703, title = {Reduction of trap and polydispersity in mutually passivated quantum dot solar cells}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP}, pages = {8903-8911}, type = {Article}, abstract = {

Control over surface passivation is a key to manage the optoelectronic properties in low-dimensional nanomaterials because of their high surface-to-volume ratios. Tunable band gap quantum dots (QDs) are a potential building block for the development of optoelectronic devices like solar cells, photodetectors, and light-emitting diodes. Long and insulating surface ligands of colloidally synthesized QDs are exchanged by short ligands to attain compact arrangement in thin films to facilitate the charge transport process. However, the ligand exchange process often resulted in reduced surface passivation, inhomogeneous QD fusion, and deterioration of energy band gap, which adversely impact their performance in solar cells. Here, we introduce a surface passivation strategy where the QDs are mutually passivated by the organic ligand 3-methyl mercapto propionate and inorganic halometallate ligands to develop a conducting QD ink. The mutually passivated QDs (MPQDs) show significant improvement in optoelectronic properties in maintaining the trap-free energy band gap and size monodispersity. The photovoltaic performance of MPQDs shows a 33\% average increase in power conversion efficiency (PCE) over the conventional halometallate passivation to attain 9.6\% PCE in MPQD solar cells. The improvements in photovoltaic parameters are corroborated by the reduction in density of the intermediate trap states and an increase in depletion width and diffusion length in MPQD-based solar cells.

}, keywords = {polydispersity, quantum dot, solar cells, surface passivation, trap states}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01378}, author = {Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {46857, title = {Removal of fluoride from aqueous solution by mesoporous silica nanoparticles functionalized with chitosan derived from mushroom}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {57}, year = {2020}, month = {SEP }, pages = {619-627}, type = {Article}, abstract = {

In the present study, chitosan functionalized mesoporous silica nanoparticles have been synthesized. Chitosan derived from an edible mushroom, Agaricus bisporus was used during synthesis of chitosan functionalized silica nanoparticles. The functionalized silica nanoparticles were subjected to fluoride sorption using a batch method which subsequently showed removal efficiency of 95\% with maximum sorption capacity, 58.8 mg/g. The characterization of nanoparticles was carried out by SEM, EDAX, XRD and FTIR analysis respectively. EDAX analysis suggested that oxygen, 51.83\% and silica 37.24\% was main constituent of the functionalized nanomaterials. XRD yielded characteristic diffraction pattern corresponding to the lattice planes (100), (110), (112), (120), (200) and (220) respectively. Sorption data was used to study equilibrium isotherm namely Langmuir and Freundlich model. The adsorption capacity increased with temperature while kinetics studies revealed that the adsorption process followed a pseudo-second-order rate equation. The enthalpy change (Delta H) and entropy change (Delta S) was found to be -31.36 kJmol(-1) and -7.75 Jmol(-1) K-1, showing endothermic and spontaneous nature of the fluoride adsorption. Data suggested that the nature of adsorption belonged to chemisorptions. The overall results suggested that the synthesized nanoparticles showed strong and specific affinity for fluoride and could be excellent adsorbents for defluoridation.

}, keywords = {Adsorption, Chitosan, EDAX, Fluoride, SEM}, issn = {1060-1325}, doi = {10.1080/10601325.2020.1738896, Early Access Date = MAY 2020}, author = {Srivastava, Anushree and Kumari, Madhu and Ramanathan, Alagappan and Selvaraj, Kaliaperumal and Prasad, Bablu and Prasad, Kumar Suranjit} } @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 {46881, title = {Room temperature processed in-situ carbon-coated vanadium carbide (VC@C) as a high capacity robust Li/Na battery anode material}, journal = {Carbon}, volume = {161}, year = {2020}, month = {MAY}, pages = {108-116}, type = {Article}, abstract = {

3D carbide systems with their robust physical and mechanical properties have always attracted multiple application interests. In this report, we have synthesized a three-dimensional in-situ carbon coated cubic carbide, Vanadium Carbide (VC@C), by a very simple, scalable and cost-effective room temperature mechano-chemical ball-milling procedure and researched its promise as effective anode material for Li and Na ion batteries. We have demonstrated that VC@C shows an impressive initial discharge/lithiation capacity of 1165 mAh g(-1) with a high reversible capacity of 640 mAh g(-1) after 100 charge-discharge cycles at an applied current density of 0.1 A g(-1). We have also found that this material renders a very promising rate performance with significantly low capacity drop after exposing it to variable current densities ranging from 0.05 A g(-1) to 2 A g(-1) with an excellent stability up to 1000 cycles owing to its structural robustness, as verified by post-cycling characterizations. A Li-ion full cell study using LiCoO2 as cathode also showed excellent promise in terms of practical application demonstrating a reversible capacity of 95 mAh g(-1) after 100 cycles. Even for Na insertion/de-insertion VC@C shows a clear promise in terms of capacity, cyclic stability and rate performance. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {3D carbide, In-situ synthesis, Li-ion battery, Post cycling characterization, Room temperature ball milling, Williamson-Hall analysis}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.01.057}, author = {Mahajan, Mani and Roy, Kingshuk and Parmar, Swati and Singla, Gourav and Pandey, O. P. and Singh, K. and Vaidhyanathan, Ramanathan and Ogale, Satishchandra} } @article {46804, title = {Salts and cocrystal of etodolac: advantage of solubility, dissolution, and permeability}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {JUL }, pages = {4512-4522}, type = {Article}, abstract = {

{Etodolac (ETD) is a nonsteroidal anti-inflammatory drug (NSAID) approved by the United States Food and Drug Administration (US-FDA) in 1991 for the treatment of rheumatoid arthritis. Because of its poor aqueous solubility and high permeability, ETD falls under Biopharmaceutics Classification System (BCS) Class II drug. The present study was aimed to screen stable salts and cocrystals of ETD using Generally Recognized as Safe (GRAS) and a few non-GRAS coformers. Crystallization of five salts (i.e.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00313}, author = {Rai, Sunil K. and Allu, Suryanarayana and Nangia, Ashwini K.} } @article {46808, title = {Screening of zero valent mono/bimetallic catalysts and recommendation of Raney Ni (without reducing agent) for dechlorination of 4-chlorophenol}, journal = {Chemosphere}, volume = {250}, year = {2020}, month = {JUL}, pages = {126298}, type = {Article}, abstract = {

Chlorophenol (CP) is considered as environmentally hazardous material due to its acute toxicity, persistent nature and strong bioaccumulation. The dechlorination of 4-CP was investigated by using various catalysts such as bimetallic (Fe-0/Cu-0, Al-0/Fe-0), Pd/C, Raney Ni and Fe-0 at room temperature. Among the catalysts studied, Raney Ni proved to be very economical and efficient catalyst that worked without the use of an external reducing agent. The dechlorination of 4-CP by Raney Ni was therefore further explored. Complete dechlorination of 4-CP (30 mg L-1) was achieved in 6 hat an optimum Raney Ni catalyst loading of 3 g L-1. The effect of triethylamine (TEA) and tripropylamine (TPA) was also investigated and it was observed that 100\% dechlorination is possible in presence of 45 mg L-1 of TEA. The kinetics of dechlorination of 4-CP was investigated and found to be first order with a rate constant of 0.017 min(-1) at 50 degrees C, and it enhances to 0.109 min(-1) with addition of TEA. In the absence of a reducing agent, acidic to neutral pH favors dechlorination of 4-CP. The final product of dechlorination was estimated to be phenol by performing HPLC, LCMS and NMR analysis. Based on the results, a probable dechlorination mechanism of 4-CP is also proposed. It can be concluded that the catalytic hydrodechlorination is an effective and economical technique for dechlorination of 4-CP and it has a potential for the dechlorination of other toxic derivatives of chlorinated aromatics. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {4-Chlorophenol, Cl- scavenger, Hydrodechlorination, Raney Ni, Recycling of catalyst, Without reducing agent}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2020.126298}, author = {Raut, Sandesh S. and Shetty, Rohit and Raju, Nikhi Maria and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {46976, title = {Self-assembly of bispentadecylphenol substituted perylenediimide with PS-b-P4VP for structure-property insight into the core of core-shell micelles}, journal = {ACS Applied Polymer Materials}, volume = {2}, year = {2020}, month = {FEB}, pages = {805-816}, type = {Article}, abstract = {

We report the use of a ditopic molecular probe bispentadecylphenol substituted perylenediimide (PBI-PDP) to examine the molecular level self-assembly of polystyrene-b-poly(4-vinylpyridine) (PS-b-P4VP) in tetrahydrofuran (THF). A series of complexes were prepared between PS-b-P4VP copolymers with varying lengths of the 4-vinylpyridine chain and PBI-PDP. Light scattering and NMR spectroscopic studies reveal that the self-assembled structures of the solid complexes are not fully disrupted when the complexes are dissolved in THF. NMR experimental parameters measured for the small probe molecule provide detailed insights into the structure of the assemblies in solution as well as the interaction between the small molecule and the block copolymer. Such insights can have important implications in manipulating the nanostructure of block copolymer micelles to suit various application requirements. The dynamics and distribution of the PBI-PDP molecules within the assemblies in solution show a dependence on the length of the P4VP block. Transmission electron microscopy was employed to study the evolution of morphologies in films prepared from the self-assembled structures in THF solutions.

}, keywords = {core corona interface, ditopic molecular probe, environment, micelles, perylenediimide, PS-b-P4VP, Self-assembly}, issn = {2637-6105}, doi = {10.1021/acsapm.9b01099}, author = {Roy, Moumita and Rajamohanan, Pattuparambil R. and Ravindranathan, Sapna and Asha, S. K.} } @article {46882, title = {Shotgun metagenome guided exploration of anthropogenically driven resistomic hotspots within Lonar soda lake of India}, journal = {Ecotoxicology and Environmental Safety}, volume = {194}, year = {2020}, month = {MAY}, pages = {110443}, type = {Article}, abstract = {

Anthropogenic activities mediated antibiotic resistance genes (ARGs) in the pristine aquatic bodies (lakes) is raising concern worldwide. Long read shotgun sequencing was used to assess taxonomic diversity, distribution of ARGs and metal resistance genes (MRGs) and mobile genetic elements (MGEs) in six sites within hypersaline Lonar soda lake (India) prone to various anthropogenic activities. Proteobacteria and Euryarchaeota were dominant phyla under domain Bacteria and Archaea respectively. Higher abundance of Bacteroidetes was pragmatic at sites 18LN5 and 18LN6. Functional analysis indicated 26 broad-spectrum ARGs types, not reported earlier in this ecosystem. Abundant ARG types identified were multidrug efflux, glycopepetide, bacitracin, tetracycline and aminogylcoside resistance. Sites 18LN1 and 18LN5 depicted 167 and 160 different ARGs subtypes respectively and rpoB2, bcrA, tetA(48), mupA, ompR, patA, vanR and multidrug ABC transporter genes were present in all samples. The rpoB2 gene was dominant in 18LN1, whereas bcrA gene in 18LN2-18LN6 sites. Around 24 MRGs types were detected with higher abundance of arsenic in 18LN1 and copper in 18LN2-18LN6, signifying metal contamination linked to MRGs. The bacterial taxa Pseudomonas, Thioalkalivibrio, Burkholderia, Clostridium, Paenibacillus, Bacillus and Streptomyces were significantly associated with ARGs. This study highlights the resistomic hotspots in the lake for deploying policies for conservation efforts.

}, keywords = {ARGs, diversity, Lonar lake, MGEs, MRGs, Nanopore sequencing}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110443}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Rajput, Vinay and Shah, Manan and Kamble, Sanjay and Dharne, Mahesh} } @article {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 {46652, title = {Solution-phase hybrid passivation for efficient infrared-band gap quantum dot solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {NOV }, pages = {49840-49848}, type = {Article}, abstract = {

The broad tunability of the energy band gap through size control makes colloidal quantum dots (QDs) promising for the development of photovoltaic devices. Large-size lead sulfide (PbS) QDs, exhibiting a narrow energy band gap, are particularly interesting as they can be used to augment perovskite and c-Si solar cells due to their complementary NIR absorption. However, their complex surface chemistry makes them difficult to process for the development of solar cells. The shape of the QDs transformed from octahedron to cuboctahedron as their size increases, a phenomenon guided by surface energy minimization. As a result, the surface properties change drastically for large-size QDs, which exhibit nonpolar (200) facets and polar (111) facets, as opposed to only (111) facets in small-size QDs. Recent advancements in solution-phase surface passivation strategies, used for the development of high-performance solar cells using the small size and wide band gap QDs, failed to translate a similar enhancement in the case of large-size and narrow band gap QDs. Here, we report a hybrid passivation strategy for large-size and narrow band gap QDs to passivate both (111) and (200) facets, respectively, using inorganic lead triiodide (PbI3-) and organic 3-chloro-1-propanethiol (CPT). By employing charge balance calculation, we identified the desired narrow band gap for QDs to complement the perovskite and c-Si absorption. The distinct choice of the organic ligand CPT enhances the colloidal stability of QDs in the solution phase and improves surface passivation to stop QD fusion in solid films. Photophysical properties show narrower excitonic and emission peaks and a reduction in the Stokes shift. Hybrid passivation leads to a 94\% increase in the power conversion efficiency of solar cells and a 74\% increase in the external quantum efficiency at the excitonic peak.

}, keywords = {infrared band gap, polydispersity, quantum dot, solar cells, surface passivation, trap states}, issn = {1944-8244}, doi = {10.1021/acsami.0c15703}, author = {Mahajan, Chandan and Sharma, Ashish and Rath, Arup K.} } @proceedings {47327, title = {Spectroscopic probe of atomically thin domains of CVD-grown MoSe2}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {AIP}, abstract = {
Since the discovery of graphene, two-dimensional Layered Transition Metal Dichalcogenides (TMDCs) such as MoS2, MoSe2, and WS2\ having a tunable bandgap, have emerged as one of the most stable classes of materials making them attractive for various applications. We have investigated the growth mechanism and shape evolution of various domains of CVD-grown MoSe2\ on insulating substrates by spectroscopic techniques. The different morphologies were analyzed using Raman and photoluminescence spectroscopies. The transformation from the precursor MoO3\ to MoSe2\ is found to depend on a number of growth parameters and experimental conditions.

}, doi = {10.1063/5.0017096}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46695, title = {Stronger transcription regulatory circuit of HIV-1C drives the rapid establishment of latency with implications for the direct involvement of tat}, journal = {Journal of Virology}, volume = {94}, year = {2020}, month = {OCT}, pages = {e00503-20}, type = {Article}, abstract = {

The magnitude of transcription factor binding site variation emerging in HIV-1 subtype C (HIV-1C), especially the addition of NF-kappa B motifs by sequence duplication, makes the examination of transcriptional silence challenging. How can HIV-1 establish and maintain latency despite having a strong long terminal repeat (LTR)? We constructed panels of subgenomic reporter viral vectors with varying copy numbers of NF-kappa B motifs (0 to 4 copies) and examined the profile of latency establishment in Jurkat cells. Surprisingly, we found that the stronger the viral promoter, the faster the latency establishment. Importantly, at the time of commitment to latency and subsequent points, Tat levels in the cell were not limiting. Using highly sensitive strategies, we demonstrate the presence of Tat in the latent cell, recruited to the latent LTR. Our data allude, for the first time, to Tat establishing a negative feedback loop during the late phases of viral infection, leading to the rapid silencing of the viral promoter. IMPORTANCE Over the past 10 to 15 years, HIV-1 subtype C (HIV-1C) has been evolving rapidly toward gaining stronger transcriptional activity by sequence duplication of major transcription factor binding sites. The duplication of NF-kappa B motifs is unique and exclusive to HIV-1C, a property not shared with any of the other eight HIV-1 genetic families. What mechanism(s) does HIV-1C employ to establish and maintain transcriptional silence despite the presence of a strong promoter and concomitant strong, positive transcriptional feedback is the primary question that we attempted to address in the present manuscript. The role that Tat plays in latency reversal is well established. Our work with the most common HIV-1 subtype, HIV-1C, offers crucial leads toward Tat possessing a dual role in serving as both a transcriptional activator and repressor at different phases of viral infection of the cell. The leads that we offer through the present work have significant implications for HIV-1 cure research.

}, keywords = {HIV-1C, latency, LTR, NF-kappa B, positive feedback, Tat}, issn = {0022-538X}, doi = {10.1128/JVI.00503-20}, author = {Chakraborty, Sutanuka and Kabi, Manisha and Ranga, Udaykumar} } @article {46712, title = {Structural and electrical characterization studies for ternary composite of polypyrrole}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {31}, year = {2020}, month = {NOV}, pages = {18400-18411}, type = {Article}, abstract = {

In this work, temperature dependence of alternate current (AC) and direct current (DC) conductivities of optimized polypyrrole/silver-tantalum oxide (PPy/Ag-Ta2O5), a ternary conducting polymer composite is comparatively studied with those of PPy and PPy/Ag. For the purpose, silver (Ag) nanoparticles were encapsulated with polypyrrole (PPy) by in situ oxidative polymerization to form core-shell structured PPy/Ag composite for which Ag nanoparticles were extracted from green tea. The PPy/Ag composite was then mechanically mixed with tantalum pentoxide (Ta2O5) to form PPy/Ag-Ta(2)O(5)ternary composite. Increase in depth of delocalization band of PPy in ternary composite as compared to those of PPy/Ag composite and PPy, indicating its increased AC conductivity confirmed from the comparative FTIR analyses. Interaction between PPy/Ag composite and Ta(2)O(5)in the ternary composite was confirmed from XRD studies. The formation of core-shell structured PPy/Ag composite and Ta(2)O(5)particles embedded in such PPy/Ag composite to form PPy/Ag-Ta(2)O(5)ternary composite confirmed from TEM and Raman studies. The frequency- and temperature-dependent electrical conductivity studies revealed increase in AC conductivity of the ternary composite as compared to those of PPy/Ag composite and pure PPy attributed mainly to interfacial effects. The charge transport in these samples predicted to be due to correlated barrier hopping of charges was confirmed by calculating their respective AC and DC activation energies.

}, issn = {0957-4522}, doi = {10.1007/s10854-020-04386-4, Early Access Date = SEP 2020}, author = {Megha, R. and Ravikiran, Y. T. and Kumari, S. C. Vijaya and Prakash, H. G. Raj and Revanasiddappa, M. and Manjunatha, S. and Dastager, Syed G. and Thomas, S.} } @article {46693, title = {Structural and enzymatic analysis of a dimeric cholylglycine hydrolase like acylase active on N-acyl homoserine lactones}, journal = {Biochimie}, volume = {177}, year = {2020}, month = {OCT}, pages = {108-116}, type = {Article}, abstract = {

The prevalence of substrate cross-reactivity between AHL acylases and beta-lactam acylases provides a glimpse of probable links between quorum sensing and antibiotic resistance in bacteria. Both these enzyme classes belong to the N-terminal nucleophile (Ntn)-hydrolase superfamily. Penicillin V acylases alongside bile salt hydrolases constitute the cholylglycine hydrolase (CGH) group of the Ntn-hydrolase superfamily. Here we report the ability of two acylases, Slac1 and Slac2, from the marine bacterium Shewanella loihica PV4 to hydrolyze AHLs. Three-dimensional structure of Slac1 reveals the conservation of the Ntn hydrolase fold and CGH active site, making it a unique CGH exclusively active on AHLs. Slac1homologs phylogenetically cluster separate from reported CGHs and AHL acylases, thereby representing a functionally distinct sub-class of CGH that might have evolved as an adaptation to the marine environment. We hypothesize that Slac1 could provide the structural framework for understanding this subclass, and further our understanding of the evolutionary link between AHL acylases and beta-lactam acylases. (C) 2020 Elsevier B.V. and Societe Francaise de Biochimie et Biologie Moleculaire (SFBBM). All rights reserved.

}, keywords = {AHL acylase, Cholyolglycine hydrolase, Homodimer, Ntn-fold, Shewanella loihica-PV4}, issn = {0300-9084}, doi = {10.1016/j.biochi.2020.07.017}, author = {Philem, Pushparani D. and Yadav, Yashpal and Sunder, Avinash Vellore and Ghosh, Deepanjan and Prabhune, Asmita and Ramasamy, Sureshkumar} } @article {46636, title = {Structural and physical analysis of underwater silk from housing nest composites of a tropical chironomid midge}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV }, pages = {934-942}, type = {Article}, abstract = {

Chironomids are an abundant group of aquatic silk spinning insects. They offer a unique opportunity of silk harvestation without killing them; however, they remained underappreciated models in silk research. Here, we investigate the structural and biomechanical characteristics of silk from the midge, Chironomus ramosus. A combination of microscopic (SEM), spectroscopic (CD and IR), structural (XRD), thermal (DSC and TGA) and mechanical measurement tools and techniques were employed to gain critical insights on midge silk. Maximum yield of silk was obtained from Chironomus in similar to 2.5 h, the shortest time reported among insects. The network of water-insoluble silk fibres possessed the smallest diameter of 110 +/- 35 nm, known for any insect silk, qualifying its superiority in fibre fineness. We demonstrate a cruelty-free silk extraction method in contrast to the conventional violent techniques. Structural characterization indicated coexistence of various secondary conformations, beta sheets being predominant. We compare and contrast these features to well-characterized caddisfly and silk-worm silks and highlight the uniqueness in midge silk that render mechanical stability and potentially contribute to its multi-functionalization. We thus propose Chironomus as an emerging candidate of water-borne silk, especially in the context of the {\textquoteleft}Peace silk{\textquoteright} industry, aiming to develop non-violent methods for silk harvestation from animals. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {biopolymer, Chironomus, Commercial applications, Housing nest composite, Peace silk, Underwater silk}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.070}, author = {Thorat, Leena and Joseph, Emmanuel and Nisal, Anuya and Shukla, Ekta and RaviKumar, Ameeta and Nath, Bimalendu B.} } @article {47330, title = {Structural, Hirshfeld surface and in vitro cytotoxicity evaluation of five new N-aryl-N{\textquoteright}-alkoxycarbonyl thiocarbamide derivatives}, journal = {Phosphorus Sulfur and Silicon and the Related Elements}, volume = {195}, year = {2020}, month = {OCT }, pages = {812-820}, type = {Article}, abstract = {

Five new compounds, N-(2, 4-dichlorophenyl)-N{\textquoteright}-(methoxycarbonyl) thiocarbamide (1), N-(2, 4-dichlorophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (2), N-(2, 4-dichlorophenyl)-N{\textquoteright}-(2, 2, 2-trichloroethoxycarbonyl) thiocarbamide (3), N-(2,4-dichlrophenyl)-N{\textquoteright}-(pentoxycarbonyl) thiocarbamide (4) and N-(4-nitrophenyl)-N{\textquoteright}-(pentoxycarbonyl) thiocarbamide (5), have been synthesized by the reaction of various alkoxy chloroformates with 2, 4-dichloroaniline/4-nitroaniline.The molecular structures of the compounds were elucidated by using spectroscopic methods (FT-IR, H-1 and C-13 NMR) and single-crystal X-ray structure analysis of compounds 2 and 5. Antiperiplanar orientation of C = O and C = S group across C-N bonds of thiocarbamide core may be due to the presence of intramolecular (N-H center dot center dot center dot O-C) hydrogen bond in the crystal structure of both the compounds. The presence of intermolecular interactions (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) in the molecular structure of the compounds has been studied in detail using Hirshfeld surfaces and their associated twodimensional fingerprint plots. In vitro cytotoxicity screening of the synthesized compounds evaluated on a panel of seven human cancer cell lines (cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1)) demonstrated significant inhibitory properties.

}, keywords = {Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure determination}, issn = {1042-6507}, doi = {10.1080/10426507.2020.1756809, Early Access Date = MAY 2020}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano} } @article {46914, title = {Structural studies on 10-hydroxygeraniol dehydrogenase: a novel linear substrate-specific dehydrogenase from Catharanthus roseus}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {88}, year = {2020}, month = {SEP}, pages = {1197-1206}, type = {Article}, abstract = {

Conversion of 10-hydroxygeraniol to 10-oxogeranial is a crucial step in iridoid biosynthesis. This reaction is catalyzed by a zinc-dependent alcohol dehydrogenase, 10-hydroxygeraniol dehydrogenase, belonging to the family of medium-chain dehydrogenase/reductase (MDR). Here, we report the crystal structures of a novel 10-hydroxygeraniol dehydrogenase from Catharanthus roseus in its apo and nicotinamide adenine dinucleotide phosphate (NADP(+)) bound forms. Structural analysis and docking studies reveal how subtle conformational differences of loops L1, L2, L3, and helix alpha 9{\textquoteright} at the orifice of the catalytic site confer differential activity of the enzyme toward various substrates, by modulating the binding pocket shape and volume. The present study, first of its kind, provides insights into the structural basis of substrate specificity of MDRs specific to linear substrates. Furthermore, comparison of apo and NADP(+) bound structures suggests that the enzyme adopts open and closed states to facilitate cofactor binding.

}, keywords = {10-hydroxygeraniol dehydrogenase, iridoid biosynthesis, medium-chain dehydrogenase, monoterpene indole alkaloids, reductase, X-ray crystallography}, issn = {0887-3585}, doi = {10.1002/prot.25891, Early Access Date = MAR 2020}, author = {Sandholu, Anand S. and Mujawar, Sharmila P. and Ramakrishnan, Krithika and Thulasiram, Hirekodathakallu V. and Kulkarni, Kiran} } @article {46656, title = {Structure and regulation of SWEET transporters in plants: an update}, journal = {Plant Physiology and Biochemistry}, volume = {156}, year = {2020}, month = {NOV}, pages = {1-6}, type = {Review}, abstract = {

Sugar will eventually be exported transporters (SWEETs), a novel family of sugar transporters found in both eukaryotes and prokaryotes, facilitate sugar flux across the cell membrane. Although these transporters were first discovered in plants, their homologs have been reported in different organisms. SWEETs have critical roles in various developmental processes, including phloem loading, nectar secretion, and pathogen nutrition. The structure of bacterial homologs, called SemiSWEETs, has been well studied thus far. Here, we provide an overview of SWEET protein structure and dynamic function by analyzing the solved crystal structures and predicted models that are available for a few SWEETs in a monocot plant (rice) and dicot plant (Arabidopsis thaliana). Despite the advancement in structure-related studies, the regulation of SWEETs remains unknown. In light of reported regulatory mechanisms of a few other sugar transporters, we propose the regulation of SWEETs at the post-translational level. We then enumerate the potential post-translational modification sites in SWEETs using computational tools. Overall, in this review, we critically analyze SWEET protein structure in plants to predict the post-translational regulation of SWEETs. Such findings have a direct bearing on plant nutrition and defense and targeting the regulation at these levels will be important in crop improvement.

}, keywords = {oligomerization, Phosphorylation, Post-translational modification, Sugar transporters, Sugar will eventually be exported transporters}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2020.08.043}, author = {Anjali, Anjali and Fatima, Urooj and Manu, M. S. and Ramasamy, Sureshkumar and Senthil-Kumar, Muthappa} } @article {46864, title = {Synthesis and biological activity of imidazole based 1,4-naphthoquinones}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {6889-6901}, type = {Article}, abstract = {

Design and development of drugs in multi-drug resistant (MDR) infections have been of growing interest. We report the syntheses, and antibacterial and antifungal activities of imidazole-based 1,4-naphthoquinones (I-1 to I-4; 1-alkyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione (alkyl = methyl to butyl)) and their precursors (B-3; N-(3-chloro-1,-dioxo-1,4-dihydronaphthalen-2-yl)acetamide) and A-1 to A-4; N-(3-(alkylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide (alkyl = methyl to butyl). Crystal structures of B-3, A-1 to A-3 and I-2 to I-4 were obtained through single crystal X-ray diffraction experiments. Electronic structure and charge distribution have further been characterized with the use of Density Functional Theory. Seven of these derivatives display a broad spectrum of antibacterial activity against few selected bacterial strains (Gram-positive and Gram-negative). As demonstrated MIC values with B-2 and B-3 against bacterial isolates were 8-64 mu g ml(-1) and those against pathogenic yeast, C. albicans, were observed in the range of 128-256 mu g ml(-1). MIC data of these derivatives suggest them to be promising against pathogens.

}, issn = {1144-0546}, doi = {10.1039/c9nj04339j}, author = {Choudhari, Dinkar and Salunke-Gawali, Sunita and Chakravarty, Debamitra and Shaikh, Samir R. and Lande, Dipali N. and Gejji, Shridhar P. and Rao, Pradeep Kumar and Satpute, Surekha and Puranik, Vedavati G. and Gonnade, Rajesh} } @article {46809, title = {Synthesis and characterization of biocompatible poly (L-lactide) using zinc (II) salen complex}, journal = {International Journal of Polymer Analysis and Characterization}, volume = {25}, year = {2020}, month = {JUL }, pages = {283-299}, type = {Article}, abstract = {

A biocompatible zinc (II) complex based on a tetradentate N,N,O,O-type salen ligand was synthesized, characterized and used for the solvent-free ring-opening polymerization (ROP) of L-lactide in bulk at 180 degrees C to prepare high molecular weight poly(L-lactide) (M-n: 82,600 Da;M-w: 140,000 Da; PDI: 1.70). Poly(L-lactide) (PLLA) was characterized using FTIR,H-1 NMR,C-13 NMR, GPC, TGA, DSC, WAXD, and MALDI-ToF. Kinetic measurement was carried out and first-order behavior to monomer was observed. Thek(app)was found as 6 +/- 0.001 x 10(-4 )s(-1). The biocompatibility of the PLLA was confirmed byin vitrocytotoxicity against NIH/3T3 fibroblast cell line and can be used in biomedical applications.

}, keywords = {Biocompatible, Biomedical Applications, in vitro, PLLA, zinc (II) salen complex}, issn = {1023-666X}, doi = {10.1080/1023666X.2020.1783496, Early Access Date = JUN 2020}, author = {Rade, Priyanka P. and Garnaik, Baijayantimala} } @article {47138, title = {Synthesis and characterization of nylon 6 polymer nanocomposite using organically modified Indian bentonite}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {JUL}, pages = {Article number: 1412}, type = {Article}, abstract = {

In this present research work two different organic compounds are applied for the modification of Indian origin bentonite. One\ is with n-hexadecyltrimethylammonium bromide (CTAB), intercalated with an\ interlayer of bentonite via cation exchange mechanism. Whereas, another with 3-Aminopropyl trimethoxysilane (APTES) interlayer functionalization with bentonite {\textendash}OH group. APTES and CTAB{\textendash}intercalated bentonites samples were further cross modified with CTAB and APTES to obtain novel co-surfactant locked organo bentonite modeling (CLOM) like matrices. Original and modified bentonite samples were comparatively evaluated by advanced characterization techniques such as, powder X-ray diffraction, Fourier-transform infrared spectroscopy, thermal gravimetric analysis (TGA). Moreover,\ the\ applicability of the developed CLOM like materials were investigated in nylon 6 nanocomposite preparation by melt compounding method using a micro twin co-rotated extruder. Additionally, CLOM-nylon-6 polymer nanocomposites were characterized by wide angle X-ray diffraction, TGA, differential scanning calorimetry, atomic force microscopy and tensile strength measurement. The observed thermograph results confirmed no significant difference in the thermal properties of the developed composites. Whereas, the significant variation observed in the tensile strength results particularly for developed composite 5\% of N6-OAMSB and N6 AMOSB 5 showed 111.5 and 76.6\% respective enhancement in tensile strength results when compared with a bare nylon-6 polymer.

}, doi = {10.1007/s42452-020-2579-5}, author = {Kumaresan, S. and Rokade, Dhammaraj S. and Marathe, Yogesh N. and Ingole, Pravin G. and Pawar, Radheshyam R. and Pol, Harshawardhan V. and Bajaj, Hari C.} } @article {46960, title = {Synthesis, characterisation, Hirshfeld surface and in vitro cytotoxicity evaluation of new N-aryl-N {\textquoteleft}-Alkoxycarbonyl thiocarbamide derivatives}, journal = {Journal of Molecular Structure}, volume = {1202}, year = {2020}, month = {FEB}, pages = {127269}, type = {Article}, abstract = {

Four new compounds N-(4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (1), N-(2, 4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (2), N-(4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (3) and N-(2-Chloro- 4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (4) were prepared and their structures confirmed by using various spectroscopic (FT-IR, UV-Visible, H-1 and C-13 NMR) and single crystal X-ray studies of 1 and 3. The presence of intramolecular (N-H center dot center dot center dot O=C) hydrogen bond in the crystal structure of both the compounds causes planarity of carbonyl thiocarbamide unit and trans orientation of C=O and C=S group. The intermolecular contacts (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) present in crystal structures have been examined by Hirshfeld surface analysis and their associated 2D fingerprint plots. All the compounds were assessed for their in vitro cytotoxic properties against a panel of seven human cancer cells such as cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Among them, compounds 2 and 4 exhibited better activity than 1 and 3 against all the cell lines tested. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.127269}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano and Kaur, Manpreet and Jasinski, Jerry P.} } @article {46820, title = {Synthesis of alpha-ketoamides using potassium superoxide (KO2) as an oxidizing agent}, journal = {Tetrahedron}, volume = {76}, year = {2020}, month = {JUN }, pages = {131262}, type = {Article}, abstract = {

A simple and convenient method for the synthesis of alpha-ketoamides by the oxidation of aryl acetamides using potassium superoxide (KO2) as an oxidizing agent is disclosed here. The scope of the developed method is successfully tested with fifteen substrates. In addition, the utility of method has been demonstrated by synthesizing an orexin receptor antagonist, a medicinally interesting compound. (C) 2020 Published by Elsevier Ltd.

}, keywords = {alpha-Ketoamide, Orexin receptor, Oxidation, Potassium superoxide (KO2)}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131262}, author = {Vasudevan, N. and Routholla, Ganesh and Illa, Giri Teja and Reddy, D. Srinivasa} } @article {46946, title = {Synthesis of silver nanoparticles colloids in imidazolium halide ionic liquids and their antibacterial activities for gram-positive and gram-negative bacteria}, journal = {Chemosphere}, volume = {243}, year = {2020}, month = {MAR}, pages = {125302}, type = {Article}, abstract = {

Four 1-butyl-3-methylimidazolium halide ionic liquids were synthesized via metathesis and anion exchange reactions. Silver nanoparticles (AgNPs) colloids were synthesized in four ionic liquids in the pressurized reactor by reduction of silver nitrate with hydrogen gas, without adding solvents or stabilizing agents. Antibacterial activities of base ionic liquids and AgNPs colloids in ionic liquids were reviewed by well-diffusion method for gram-positive Bacillus cereus (NCIM-2155) and gram-negative Escherichia coli (NCIM-2931) bacteria. Antibacterial activities of ionic liquids and AgNPs colloids in ionic liquids were observed to be controlled by ionic liquids anions and AgNPs particle size. The 1 -butyl-3-methylimidazolium iodide ionic liquid exhibited higher antibacterial activities among the studied ionic liquids. Further, the presence of AgNPs in 1-butyl-3-methylimidazolium iodide, ionic liquid enhanced its antibacterial activity for Bacillus cereus and Escherichia coli bacteria. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Anion effect, antibacterial activity, Imidazolium halides, ionic liquids, silver nanoparticles}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2019.125302}, author = {Patil, Virendra and Mahajan, Swapnil and Kulkarni, Mohan and Patil, Kashinath and Rode, Chandrashekhar and Coronas, Alberto and Yi, Gi-Ra} } @article {46956, title = {Tale of biphenyl and terphenyl substituents for structurally diverse ketiminato magnesium, calcium and germanium complexes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {820-827}, type = {Article}, abstract = {

In this paper, we have used two N,O-ketiminato ligands (L1 and L2) with biphenyl and terphenyl substituent on the nitrogen atom. Deprotonation of L1 with KN(SiMe3)(2) and subsequent reaction with MgI2 led to a homoleptic dinuclear magnesium complex (1) with a Mg2O2 four-membered ring. Deprotonation with nBuLi and subsequent reaction with MgI2 afforded a unusual dinuclear magnesium complex (2) with a Mg2O2 ring. Extension of the ligand for calcium resulted in a trinuclear calcium complex (3) with six four-membered Ca2O2 rings. We could not isolate any chelating complex when L2 was used as a ligand, and only oxygen bound magnesium (4) and calcium (5) adducts were isolated. DFT studies were performed to understand this dissimilar behavior. More diverse results were obtained when lithiated L1 and L2 were treated with germanium dichloride. We were able to stabilize a monomeric germylene monochloride (7) with L1. However, with L2, an unusual ligand scrambling, and a C-C coupling take place, leading to the formation of a secondary carbocation with GeCl3- as a counter-anion (8). Besides, a germanium dichloride adduct (9) bound to the oxygen center of the ligand was obtained as the minor product.

}, keywords = {calcium, Germylene, ligand, Magnesium, X-ray Structure}, issn = {1861-4728}, doi = {10.1002/asia.201901801, Early Access Date = FEB 2020}, author = {Kumar, Rohit and Yadav, Sandeep and Gour, Kritika and Sangtani, Ekta and Ranjan Dash, Soumya and Raja, Abhishekram and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {46644, title = {Teixobactin: a paving stone toward a new class of antibiotics?}, journal = {Journal of Medicinal Chemistry}, volume = {63}, year = {2020}, month = {NOV }, pages = {12171-12195}, type = {Article}, abstract = {

Antimicrobial resistance is a serious threat to human health worldwide, prompting research efforts on a massive scale in search of novel antibiotics to fill an urgent need for a remedy. Teixobactin, a macrocyclic depsipeptide natural product, isolated from uncultured bacteria (Elef theria terrae), displayed potent activity against several Gram-positive pathogenic bacteria. The distinct pharmacological profile and interesting structural features of teixobactin with nonstandard amino acid (three Damino acids and L-allo-enduracididine) residues attracted several research groups to work on this target molecule in search of novel antibiotics with new mechanism. Herein, we present a comprehensive and critical perspective on immense possibilities offered by teixobactin in the domain of drug discovery. Efforts made by various research groups since its isolation are discussed, highlighting the molecule{\textquoteright}s considerable potential with special emphasis on replacement of amino acids. Critical analysis of synthetic efforts, SAR studies, and the way forward are provided hereunder.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.0c00173}, author = {Gunjal, Vidya B. and Thakare, Ritesh and Chopra, Sidharth and Reddy, D. Srinivasa} } @article {46980, title = {Temperature assisted reorganization of silver nanoparticles in free-standing, flexible chitosan functionalized reduced graphene oxide thick films: A potential SERS probe for folic acid sensing}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {252}, year = {2020}, month = {FEB}, pages = {114454}, type = {Article}, abstract = {

Chitosan and silver functionalized free standing reduced graphene oxide (rGO) films were prepared using simple soak and dry strategy. Redistribution of silver aggregates on chitosan functionalized rGO films were observed by thermally annealing these films at 450 degrees C, in an inert atmosphere. The re-organization / redistribution of silver aggregates in the rGO films were studied using in-situ Raman scattering signals. The redistribution of silver particles occurs through melting of micron sized silver aggregates during annealing. The rearrangement of the micro-sized silver aggregates to spherical silver nanoparticle on chitosan functionalized rGO film, as a result of temperature was assisted through factors such as graphene surface ripple rearrangement and the denaturation of rGO surface interacting chitosan chains. These free-standing films with redistributed silver nanoparticles showed excellent surface enhanced Raman scattering (SERS) effect with enhanced Raman signals for folic acid sensing, showcasing its potentiality to be utilized as flexible SERS based sensors.

}, keywords = {Free-standing, graphene oxide, sensing, SERS, silver nanoparticles, Thick-films}, issn = {0921-5107}, doi = {10.1016/j.mseb.2019.114454}, author = {Asha, S. and Ananth, A. Nimrodh and Jose, Sujin P. and Rajan, Michael Anjello Jothi} } @article {47008, title = {Ti-superoxide catalyzed oxidative amidation of aldehydes with saccharin as nitrogen source: synthesis of primary amides}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {724-728}, type = {Article}, abstract = {

A new heterogeneous catalytic system (Ti-superoxide/saccharin/TBHP) has been developed that efficiently catalyzes oxidative amidation of aldehydes to produce various primary amides. The protocol employs saccharin as amine source and was found to tolerate a wide range of substrates with different functional groups. Moderate to excellent yields, catalyst reusability and operational simplicity are the main highlights. A possible mechanism and the role of the catalyst in oxidative amidation have also been discussed.

}, doi = {10.1039/c9ra10413e}, author = {Kamble, Rohit B. and Mane, Kishor D. and Rupanawar, Bapurao D. and Korekar, Pranjal and Sudalai, A. and Suryavanshi, Gurunath} } @article {46631, title = {Total synthesis and absolute configuration determination of Ktedonoketone, a benzenoid metabolite from Thermophilic bacterium}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {NOV }, pages = {152526}, type = {Article}, abstract = {

The successful total synthesis of both enantiomers of ktedonoketone allowed us to decipher an unambiguous assignment of absolute configuration of the natural product. The concise synthesis highlights Wacker oxidation and aldol condensation as key steps. In addition to this, the current synthetic route is suitable to access a library of compounds on the similar skeleton as one can use readily available amino acids and Grignard reagents as variants. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Absolute configuration, Ktedonoketone, Total synthesis, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152526}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {46962, title = {Total synthesis of (+)-petromyroxol (vol 56, pg 3933, 2015)}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {FEB }, pages = {151420}, type = {Correction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.151420}, author = {Mullapudi, Venkannababu and Ramana, Chepuri V.} } @article {46957, title = {Towards in situ continuous feeding via controlled release of complete nutrients for fed-batch culture of animal cells}, journal = {Biochemical Engineering Journal}, volume = {154}, year = {2020}, month = {FEB }, pages = {107436}, type = {Article}, abstract = {

Small-scale culture of animal cells in suspension is of importance for many applications. At a small-scale, fed-batch is achieved either by manual bolus feeding or the use of liquid handling robots. In this study, we report an alternate application of a hydrogel for in situ continuous delivery of a nutrient feed comprising 18 amino acids, vitamins, antioxidants, and trace elements. We show that amino acid release is sustained for at least seven days. Importantly, release rates of individual amino acids can be independently modulated by changing their loading. We demonstrate the application of this hydrogel for complete in situ feeding of nutrients to a suspension adapted CHO cell line expressing IgG leading to 2.7-fold and 4-fold improvement in integral viable cell density (IVCD) and volumetric productivity respectively. This is similar to improvements obtained by bolus liquid feeding. Further, supplying glucose from the same hydrogel to eliminate manual feeding led to a 1.8-fold increase in IVCD accompanied by a 3-fold increase in volumetric productivity as compared to batch culture. In summary, this study provides a proof-of-concept that hydrogels can enable completely closed in situ feeding for mammalian cell culture requiring no external intervention. Such continuous in situ delivery can potentially enable closed culture systems maintaining nutrients at low levels mimicking physiological concentrations.

}, keywords = {Amino acids, CHO cells, Closed system, Fed-batch, Hydrogel for continuous feeding, In situ nutrient release}, issn = {1369-703X}, doi = {10.1016/j.bej.2019.107436}, author = {Rawat, Jyoti and Gadgil, Mugdha} } @article {46692, title = {Towards lignin-derived chemicals using atom-efficient catalytic routes}, journal = {Trends in Chemistry}, volume = {2}, year = {2020}, month = {OCT}, pages = {898-913}, type = {Review}, abstract = {

Lignin is a potential non-fossil resource of diverse functionalized phenolic units. The most important lignin- derived monomers are 4-alkylphenols, 4- hydroxybenzaldehydes, 4-hydroxybenzoic acids, and 4-hydroxycinnamic acids/esters. Efficient transformation of lignin and/or its monomers into valuable aromatics and their derivatives is crucial, not only for a sustainable lignocellulose biorefinery, but also to reduce our dependence on fossil feedstocks. This review provides a concise account of the recent advances in lignocellulose fractionation/lignin depolymerization processes towards lignin-derived monomers. Subsequently, numerous potential atom-efficient catalytic routes for upgrading lignin monomers into drop-in chemicals and new polymer building blocks are discussed.

}, doi = {10.1016/j.trechm.2020.07.011}, author = {Sudarsanam, Putla and Ruijten, Dieter and Liao, Yuhe and Renders, Tom and Koelewijn, Steven-Friso and Sels, Bert F.} } @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 {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 {46944, title = {Tunable light emission from chemical vapor deposited two-dimensional MoSe2 by layer variation and S incorporation}, journal = {Journal of Vacuum Science \& Technology A}, volume = {38}, year = {2020}, month = {MAR}, pages = {023402}, type = {Article}, abstract = {

Mono- and few-layer thick MoSe2 and MoSxSe2-x domains were grown on insulating SiO2/Si substrates by chemical vapor deposition. Scanning electron microscopy and optical contrast images were used to determine the domain size and morphology. The structure, crystallinity, and the thickness (number of layers) of the as-synthesized domains were determined from Raman spectroscopy. The light emission was determined from photoluminescence (PL) spectroscopy. The PL emission started appearing only in domains having four layers or less, with the intensity increasing as the number of layers decreased. The PL peak position varied between 1.48eV (similar to 838nm) for four layers to 1.55eV (similar to 800nm) in the monolayer limit. Sulfur incorporation was done to enable a further tunability of the bandgap. The monolayer bandgap changed from 1.55eV for MoSe2 to 1.64eV (similar to 756nm) for MoS0.32Se0.68. The other effect of S incorporation was the formation of larger area domains in the alloy as compared to binary MoSe2 with an improvement in the structural properties, thus providing a pathway to improve the properties of two-dimensional semiconductors by mixing of two materials with similar atomic arrangements.

}, issn = {0734-2101}, doi = {10.1116/1.5124998}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46648, title = {Ultrahigh sensitive carbon-based conducting rubbers for flexible and wearable human-machine intelligence sensing}, journal = {Advanced Materials Technologies}, volume = {5}, year = {2020}, month = {DEC}, pages = {2000690}, type = {Article}, abstract = {

The wearable strain sensors with multifunctional applications can fuel the rapid development of human-machine intelligence for various sectors like healthcare, soft robotics, and Internet of Things applications. However, achieving the low-cost and mass production of wearable sensors with ultra-high performance remains challenging. Herein, a simple, cost-effective, and scalable methodology to fabricate the flexible and highly sensitive strain sensors using carbon black and latex rubbers (LR) is presented. The LR-based strain sensor demonstrates excellent flexibility, fast response (approximate to 600 ms), ultra-high sensitivity (maximum gauge factor of 1.2 x 10(4) at 250\% strain), and long-term stability over 1000 cycles. The LR-based strain sensors are sensitive to monitor subtle human motions such as heart pulse rate and voice recognition along with high-strain human joint operations. Additionally, the sensing mechanism of LR bands is investigated by surface topographies and electromechanical response under various strained/unstrained conditions. Further, a smart glove-based sensor module made of LR strain bands with an Arduino reader for the human-machine intelligence device for non-verbal communication in military applications is demonstrated.

}, keywords = {conducting rubbers, gauge factor, human\&\#8211, machine interfacing, voice recognition, wearable strain sensors}, issn = {2365-709X}, doi = {10.1002/admt.202000690, Early Access Date = NOV 2020}, author = {Ajeev, Arya and Javaregowda, Bharathkumar H. and Ali, Ashik and Modak, Mrudul and Patil, Shreya and Khatua, Saumyakanta and Ramadoss, Marimuthu and Kothavade, Premkumar Anil and Arulraj, Arul Kashmir} } @article {46791, title = {Uncovering the origin of enhanced field emission properties of rGO-MnO(2)heterostructures: a synergistic experimental and computational investigation}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL }, pages = {25988-25998}, type = {Article}, abstract = {

The unique structural merits of heterostructured nanomaterials including the electronic interaction, interfacial bonding and synergistic effects make them attractive for fabricating highly efficient optoelectronic devices. Herein, we report the synthesis of MnO(2)nanorods and a rGO/MnO(2)nano-heterostructure using low-cost hydrothermal and modified Hummers{\textquoteright} methods, respectively. Detailed characterization and confirmation of the structural and morphological properties are doneviaX-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Compared to the isolated MnO(2)nanorods, the rGO/MnO(2)nano-heterostructure exhibits impressive field emission (FE) performance in terms of the low turn-on field of 1.4 V mu m(-1)for an emission current density of 10 mu A cm(-2)and a high current density of 600 mu A cm(-2)at a relatively very low applied electric field of 3.1 V mu m(-1). The isolated MnO(2)nanorods display a high turn-on field of 7.1 for an emission current density of 10 mu A cm(-2)and a low current density of 221 mu A cm(-2)at an applied field of 8.1 V mu m(-1). Besides the superior FE characteristics of the rGO/MnO(2)nano-heterostructure, the emission current remains quite stable over the continuous 2 h period of measurement. The improvement of the FE characteristics of the rGO/MnO(2)nano-heterostructure can be ascribed to the nanometric features and the lower work function (6.01 and 6.12 eV for the rGO with 8\% and 16\% oxygen content) compared to the isolated alpha-MnO2(100) surface (phi= 7.22 eV) as predicted from complementary first-principles electronic structure calculations based on density functional theory (DFT) methods. These results suggest that an appropriate coupling of rGO with MnO(2)nanorods would have a synergistic effect of lowering the electronic work function, resulting in a beneficial tuning of the FE characteristics.

}, doi = {10.1039/d0ra03360j}, author = {Rondiya, Sachin R. and Karbhal, Indrapal and Jadhav, Chandradip D. and Nasane, Mamta P. and Davies, Thomas E. and Shelke, V. Manjusha and Jadkar, Sandesh R. and Chavan, Padmakar G. and Dzade, Nelson Y.} } @article {46920, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties (vol 41, pg 14652, 2017)}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAR }, pages = {4664}, type = {Correction}, issn = {1144-0546}, doi = {10.1039/d0nj90031a}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {46670, title = {Wavelength dependent luminescence decay kinetics in {\textquoteleft}quantum-confined{\textquoteright} g-C(3)N(4)nanosheets exhibiting high photocatalytic efficiency upon plasmonic coupling}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {OCT }, pages = {20581-20592}, type = {Article}, abstract = {

Serendipitous observations offer newer insights into materials properties. Here we describe g-C(3)N(4)nanosheets exhibiting remarkably blue-shifted photoluminescence within the 390-580 nm range centred at 425 nm which matches more closely with its {\textquoteleft}quantum-dots{\textquoteright}, and yet is excitation-wavelength independent. Moreover, surprisingly, the luminescence decay becomes increasingly slow at higher emission wavelengths, by up to 10 times. The nanosheets absorb only a fraction of visible-light. To improve this, when we designed a nanocomposite of g-C(3)N(4)and Au nanoparticles (NPs), it retained the PL characteristics and also exhibited excellent light-harvesting and photocatalytic efficiency for benzylamine (BA) oxidation. The surface plasmon resonance of the Au NPs is responsible for the high visible-light response and assisting the reaction by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism, while an uncharacteristic, pronounced co-catalytic effect by them further improves the efficiency. The conversion is 98\% with \>99\% selectivity over 1.5 h of natural sunlight and open-air, probably the highest efficiency for BA photo-oxidation reactions. Even though such a dual role by plasmonic NPs has remained unscrutinized, we argue that the charge-transfer processes for the {\textquoteleft}hot-carrier{\textquoteright} injection and co-catalytic events are well-separated in time due to a much slower photon incident frequency on a catalyst particle, enabling both to occur simultaneously in the same particle.

}, issn = {2050-7488}, doi = {10.1039/d0ta08001b}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vaishnav, Yuvraj and Mishra, Samita and Roy, Raj Sekhar and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {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 {47367, title = {Amyloid-beta-derived peptidomimetics inhibits tau aggregation}, journal = {ACS Omega }, volume = {6}, year = {2021}, month = {MAY }, pages = {11131-11138}, type = {Article}, abstract = {

The aggregation of tau protein is one of the hallmarks for Alzheimer{\textquoteright}s disease, resulting in neurodegeneration. The peptidomimetics strategy to prevent tau aggregation is more specific over other small molecules. In the present study, we analyzed the effect of amyloid-beta-derived peptidomimetics for inhibiting heparin-induced tau aggregation in vitro. These peptides and their derivatives were known to prevent aggregation of amyloid-beta. KLVFF is a hydrophobic sequence of the pentapeptide that prevented tau aggregation as observed by thioflavin S fluorescence, transmission electron microscopy, and circular dichroism spectroscopy. P4 and P5 also prevented assembly of tau into aggregates and formed short fibrils. The beta-sheet breaker LPFFD was however ineffective in preventing tau aggregation. The peptides further demonstrated reversal of tau-induced cytotoxicity in a dose-dependent manner. Our results suggested that these peptides can also be used to inhibit tau aggregation and also, toxicity induced by tau could be considered as potential molecules that have an effect on tau as well as amyloid-beta.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03497}, author = {Gorantla, V. Nalini and Sunny, Lisni P. and Rajasekhar, Kolla and Nagaraju, Pramod G. and Priyadarshini, Poornima C. G. and Govindaraju, Thimmaiah and Chinnathambi, Subashchandrabose} } @article {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 {47092, title = {Assessing the impact of deviations in optimized multistep flow synthesis on the scale-up (vol 5, pg 838, 2020)}, journal = {Reaction Chemistry \& Engineering}, volume = {6}, year = {2021}, month = {FEB }, pages = {353}, type = {Correction}, issn = {2058-9883}, doi = {10.1039/d1re90004h}, author = {Sharma, M. K. and Raval, J. and Ahn, Gwang-Noh and Kim, Dong-Pyo and Kulkarni, A. A.} } @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 {46671, title = {Biological process of lysine-tRNA charging is therapeutically targetable in liver cancer}, journal = {Liver International}, volume = {41}, year = {2021}, month = {JAN }, pages = {206-219}, type = {Article }, abstract = {

Background \& Aims Mature transfer RNAs (tRNA) charged with amino acids decode mRNA to synthesize proteins. Dysregulation of translational machineries has a fundamental impact on cancer biology. This study aims to map the tRNAome landscape in liver cancer patients and to explore potential therapeutic targets at the interface of charging amino acid with tRNA. Methods Resected tumour and paired tumour-free (TFL) tissues from hepatocellular carcinoma (HCC) patients (n = 69), and healthy liver tissues from organ transplant donors (n = 21), HCC cell lines, and cholangiocarcinoma (CC) patient-derived tumour organoids were used. Results The expression levels of different mature tRNAs were highly correlated and closely clustered within individual tissues, suggesting that different members of the tRNAome function cooperatively in protein translation. Interestingly, high expression of tRNA-Lys-CUU in HCC tumours was associated with more tumour recurrence (HR 1.1;P = .022) and worse patient survival (HR 1.1;P = .0037). The expression of Lysyl-tRNA Synthetase (KARS), the enzyme catalysing the charge of lysine to tRNA-Lys-CUU, was significantly upregulated in HCC tumour tissues compared to tumour-free liver tissues. In HCC cell lines, lysine deprivation, KARS knockdown or treatment with the KARS inhibitor cladosporin effectively inhibited overall cell growth, single cell-based colony formation and cell migration. This was mechanistically mediated by cell cycling arrest and induction of apoptosis. Finally, these inhibitory effects were confirmed in 3D cultured patient-derived CC organoids. Conclusions The biological process of charging tRNA-Lys-CUU with lysine sustains liver cancer cell growth and migration, and is clinically relevant in HCC patients. This process can be therapeutically targeted and represents an unexplored territory for developing novel treatment strategies against liver cancer.

}, keywords = {Cladosporin, liver cancer, lysine, Lysyl-tRNA Synthetase, tRNA-Lys-CUU, tRNAome}, issn = {1478-3223}, doi = {10.1111/liv.14692}, author = {Zhang, Ruyi and Noordam, Lisanne and Ou, Xumin and Ma, Buyun and Li, Yunlong and Das, Pronay and Shi, Shaojun and Liu, Jiaye and Wang, Ling and Li, Pengfei and Verstegen, Monique M. A. and Reddy, D. Srinivasa and van Der Laan, Luc J. W. and Peppelenbosch, Maikel P. and Kwekkeboom, Jaap and Smits, Ron and Pan, Qiuwei} } @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 {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 {47449, title = {Comparison of glycoprofiles of rituximab versions licensed for sale in India and an analytical approach for quality assessment}, journal = {Journal of Proteomics }, volume = {244}, year = {2021}, month = {JUL}, pages = {104267}, type = {Article}, abstract = {

Glycosylation affects clinical efficacy and safety; therefore, is a critical quality attribute of therapeutic monoclonal antibodies. Glycans are often labile and complex in patterns, giving rise to macro- and micro-heterogeneity. Recombinant production, diverse geographical locations, associated transportation and storage conditions further compound the problem. Two-way studies comparing glycoprofile of the originator and its given biosimilar are aplenty. However, the extent of analytical variation and similarity in glycoprofile across all approved versions of a drug is hardly explored. Using UHPLC and mass spectrometry, we compared the glycoprofiles of eight rituximab drug samples licensed for sale in India. While the types of glycans were found identical, the abundance of some glycans varied significantly within the tested population. The quality range of glycosylation parameters of the tested sample population differed significantly from the previously established values for US/EU licensed rituximab. As the mean abundance of the 90\% of identified glycans falls within {\textpm}3SD, the extent of mutual variations amongst tested lots is less significant compared to the extreme deviation from previously established QR limits. Thus, we propose this approach as an orthogonal method to capture glycan variations in licensed versions of mAbs for quality surveillance and in cases where originator samples{\textquoteright} are limiting. SIGNIFICANCE: As fluctuation in glycosylation may be of clinical significance, we identify that a one-to-one comparison with originator alone is insufficient in sensing the extent of variations in glycosylation parameters in licensed biosimilars of a given therapeutic mAb. Here we propose that future biosimilarity analysis may include an orthogonal approach of generating an additional combined QR range representing variations across the originator and its biosimilars. The glycosylation profiles of eight rituximab drug samples of different make obtained from the point of sale in India were found identical amongst the tested rituximab versions. However, the QR limits corresponding to important glycosylation parameters differed significantly across all tested samples from the previously established QR limits of US- and EU-licensed rituximab in statistical terms. Such an approach may be useful in defining the true range of glycan variations in licensed versions of therapeutic mAbs.

}, doi = {10.1016/j.jprot.2021.104267}, author = {Kaur, Tejinder and Shukla, Bhupendra Nath and Yadav, Vinay Kumar and Kulkarni, Mahesh J. and Rao, Alka} } @article {47572, title = {Construction of beta-cyclodextrin linked glycidyl methacrylate polymers for stereoselective separation of chiral drug}, journal = {Journal of Polymer Research}, volume = {28}, year = {2021}, month = {AUG}, pages = {287}, type = {Article}, abstract = {In this present study, a series of cross-linked porous polymers based on Glycidyl Methacrylate (GMA) were synthesized by suspension polymerization using cyclohexanol and hexanol as pore generating solvents. beta-cyclodextrin (beta-CD) was covalently bonded to the polymers by using Hexamethylene Diisocyanate (HMDI) and Sebacoyl Chloride (SC) as spacer arms. The effects of matrix properties such as pore volume, type of crosslinker, and spacer on the loading of beta-cyclodextrin were investigated. The stereoselective binding of enantiomers of the anti-depressant drug citalopram was studied using beta-cyclodextrin loaded polymers under batch adsorption mode. The capacity factor and selectivity of isomers were investigated also. This study reveals that these beta-cyclodextrin bonded Glycidyl Methacrylate (GMA) polymers are potentially suitable for chromatographic separation of citalopram.}, keywords = {beta-cyclodextrin, Citalopram, Glycidyl Methacrylate (GMA) beads, HPLC etc, Stereoslelctivity}, issn = {1022-9760}, doi = {10.1007/s10965-021-02634-7}, author = {Wale, Apparav and Mulani, Khudbudin and Deshpande, Supriya and Rajan, C. R. and Ponrathnam, Surendra} } @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 {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 {47746, title = {CuO as a reactive and reusable reagent for the hydrogenation of nitroarenes}, journal = {Applied Catalysis B-Environmental}, volume = {297}, year = {2021}, month = {NOV}, pages = {120417}, type = {Article}, abstract = {{Copper oxide (CuO) is used as a reusable solid reagent for hydrogenation of nitroarenes to aminoarenes. The use of CuO resulted in 100 \% conversion of 2.9 mmol of nitrobenzene to aniline in 45 s at room temperature using hydrazine hydrate as the reducing agent. During the reaction, CuO is converted to inactive metallic Cu which can be regenerated to active CuO by thermal oxidation. DFT simulations indicated facile formation of oxygen vacancies (EO}, keywords = {Copper vacancy, CuO, Hydrogenation, Nitroarene reduction, Oxygen defects, Reactive solids}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2021.120417}, author = {Rajendran, K. and Pandurangan, N. and Vinod, C. P. and Khan, Tuhin S. and Gupta, Shelaka and Haider, M. Ali and Jagadeesan, D.} } @article {47678, title = {DBU/O-2-mediated oxidation of dienones}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUL }, pages = {9200-9205}, type = {Article}, abstract = {Herein, we describe a DBU/O-2-promoted novel method for oxidation of dienones to 2,6-dione derivatives. The reaction involves treatment of a dienone with DBU in acetonitrile employing molecular oxygen as the oxidant. Metal free conditions and an eco-friendly reagent are the striking features of this protocol. This transformation proceeds through a peroxide intermediate that upon Kornblum-DeLaMare rearrangement produces 2,6-diones. The method was successfully utilized for the synthesis of (+/-)-pleodendione with improved yields versus those of the traditional PDC-TBHP method.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00529}, author = {Athawale, Paresh R. and Kalmode, Hanuman P. and Reddy, D. Srinivasa} } @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 {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 {47756, title = {Direct oxidation of cyclohexane to adipic acid by a WFeCoO(OH) catalyst: role of bronsted acidity and oxygen vacancies}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {SEP }, pages = {10754-10766}, type = {Article}, abstract = {This work reports the catalytic activity of the trimetallic mixed-metal oxyhydroxide WFeCoO(OH) for the direct oxidation of cyclohexane to adipic acid (AA) without the use of concentrated HNO3. WFeCoO(OH) displayed a 40\% conversion of cyclohexane and a 67\% selectivity to AA under relatively milder conditions of temperature (90 degrees C) and pressure (1 atm). Experimental evidence confirmed the presence of acidic, basic, and redox sites on WFeCoO(OH). The detailed investigation revealed that doping W in the Co-FeO(OH) matrix increased the amount of surface lattice oxygen (OS-L) and caused a significant surge in acidity (5.1 mmol/g). The calculated deprotonation energy of WFeCoO(OH) was 1434 kJ/mol, and the trend in acidity was WCoO(OH) < WFeCoO(OH) < FeCoO(OH) similar to CoO(OH). Energy calculations showed that WFeCoO(OH) had a high propensity to generate oxygen vacancies by the loss of either a water molecule or an oxygen atom (-132.2 or -140.9 kJ/mol, respectively). Basicity was generated due to the presence of conjugate pairs of the surface hydroxyl groups. The combined action of the trifunctional acidic, basic, and redox-active metal centers along with the oxygen vacancies was responsible for the enhanced catalytic performance.}, keywords = {Adipic Acid, deprotonation energy, metal oxyhydroxides, multifunctional catalysts, oxygen vacancies}, issn = {2155-5435}, doi = {10.1021/acscatal.1c01464}, author = {Vernekar, Dnyanesh and Dayyan, Mohammad and Ratha, Satyajit and Rode, V, Chandrashekhar and Haider, M. Ali and Khan, Tuhin Suvra and Jagadeesan, Dinesh} } @article {47410, title = {Direct synthesis of mesoporous siliceous phosphotungstic acid and its superior catalytic activity on the cyclohexylation of phenol}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {APR }, pages = {6723-6734}, type = {Article}, abstract = {

The synthesis of highly active and reusable mesoporous siliceous phosphotungstic acid materials (mPTA-Si) which are prepared through a simple self-assembly between phosphotungstic acid (PTA), the polymeric surfactant, and the silica precursor assisted by KCl for cyclohexylation of phenol is reported. The surface area and the acidity of these materials are tuned with a simple adjustment of PTA in the silica framework. The prepared samples exhibit mesoporous structure with a high surface area, but the structure is collapsed when the loading of PTA is high. It is established that the Keggin structure of PTA is retained on the final mPTA-Si. mPTA-Si with different loadings of PTA are employed as the catalysts for the cyclohexylation of phenol under liquid phase conditions. Among the catalysts studied, 10.0-mPTA-8.3Si calcined at 350 degrees C is found to be highly active, selective, and recyclable and offers 100\% conversion of phenol with the highest selectivity for p-cyclohexylphenol (96.8\%).

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c01596}, author = {Ilbeygi, Hamid and Sawant, Dhanashri P. and Ruban, Sujanya M. and Reshma, Kokane S. and Umbarkar, Shubhangi B. and Halligudi, Shivappa B. and Vinu, Ajayan} } @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 {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 {47071, title = {Effect of rice husk particle size on ZSM-5 physico-chemical properties for selective formation of 1,3,5-trimethyl-2-benzylbenzene (Pharmaceutical Intermediate)}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {FEB }, pages = {1255-1262}, type = {Article}, abstract = {

Rice husk, rich in silica and abundantly available as waste, is presently destroyed by burning, which creates environmental issues. Thus, it will be advantageous if this rice husk waste can be used for preparation of valuable products. One of the application is its use as silica source in the synthesis of zeolites like ZSM-5, which are silico-aluminates. Rice husk waste is available in wide range of particle sizes in agricultural farms. There is no study available in open literature on use of these wide particle ranges for its direct application. This paper is an attempt to use wide particle size rice husk, its effect on ZSM-5 synthesis and its physico-chemical properties. Further these prepared ZSM-5 catalyst was evaluated for benzylation of mesitylene reaction. The study found that, rice husk of 600 mu m particle size is optimum as far as ZSM-5 synthesis, its physicochemical properties and further its application in mesitylene benzylation reaction.

}, keywords = {Mesitylene, Particle size, rice husk, Silica Source, ZSM-5}, issn = {2365-6549}, doi = {10.1002/slct.202004802}, author = {Ghuge, Gorakh and Niphadkar, Prashant and Rathod, Simmy and Bokade, Vijay V.} } @article {47800, title = {Effectors of root-knot nematodes: an arsenal for successful parasitism}, journal = {Frontiers in Plant Science}, volume = {12}, year = {2021}, month = {DEC}, type = {Review Article}, abstract = {Root-knot nematodes (RKNs) are notorious plant-parasitic nematodes first recorded in 1855 in cucumber plants. They are microscopic, obligate endoparasites that cause severe losses in agriculture and horticulture. They evade plant immunity, hijack the plant cell cycle, and metabolism to modify healthy cells into giant cells (GCs) {\textendash} RKN feeding sites. RKNs secrete various effector molecules which suppress the plant defence and tamper with plant cellular and molecular biology. These effectors originate mainly from sub-ventral and dorsal oesophageal glands. Recently, a few non-oesophageal gland secreted effectors have been discovered. Effectors are essential for the entry of RKNs in plants, subsequently formation and maintenance of the GCs during the parasitism. In the past two decades, advanced genomic and post-genomic techniques identified many effectors, out of which only a few are well characterized. In this review, we provide molecular and functional details of RKN effectors secreted during parasitism. We list the known effectors and pinpoint their molecular functions. Moreover, we attempt to provide a comprehensive insight into RKN effectors concerning their implications on overall plant and nematode biology. Since effectors are the primary and prime molecular weapons of RKNs to invade the plant, it is imperative to understand their intriguing and complex functions to design counter-strategies against RKN infection.}, issn = {1664-462X}, doi = {10.3389/fpls.2021.800030}, author = {Jagdale, Shounak and Rao, Uma and Giri, Ashok P.} } @article {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 {47589, title = {Electronically integrated mesoporous Ag-TiO2 nanocomposite thin films for efficient solar hydrogen production in direct sunlight}, journal = {Energy Technology}, volume = {10}, year = {2021}, month = {AUG}, pages = {2100356}, type = {Article}, abstract = {

The synthesis of mesoporous TiO2 by a solution-based assembly process and Ag/TiO2 nanocomposites is provided. The efficacy of Ag/TiO2 nanocomposite as photocatalyst in thin-film form is demonstrated for solar hydrogen generation in sunlight. Integration of Ag with TiO2 dramatically enhanced the H-2 production: with 1 wt\% Ag on TiO2 (TiAg-1), the H-2 yield was observed to be 4.59 mmol h(-1) g(-1), which is 2.3 (30) times larger than 0.5 wt\% Ag on TiO2. TiAg-1 shows 4.3 times higher activity in film form compared with its powder counterpart. High photocatalytic efficiency is attributed to the surface plasmon resonance effect of Ag, electronic integration of Ag with TiO2, and subsequent valence band broadening, large distribution of Ag nanoparticles and abundant Ag-TiO2 Schottky junctions, and the later minimizes electron-hole recombination. Interparticle mesoporous network increases necking and the high surface area offers easy accessibility of the reactants to a large number of active sites.

}, keywords = {heterogeneous catalysis, heterojunctions, plasmon effect, Silver, solar energy conversion, Solar hydrogen}, issn = {2194-4288}, doi = {10.1002/ente.202100356}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Nalajala, Naresh and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {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 {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 {47132, title = {Functional metagenomic landscape of polluted river reveals potential genes involved in degradation of xenobiotic pollutants}, journal = {Environmental Research}, volume = {192}, year = {2021}, month = {JAN}, pages = {110332}, type = {Article}, abstract = {

Rapid industrialization contributes substantially to xenobiotic pollutants in rivers. As a result, most of the rivers traversing urban settlements are in significantly deteriorated conditions. These pollutants are recalcitrant, requiring robust catabolic machinery for their complete transformation into bioavailable and non-toxic byproducts. Microbes are versatile dwellers that could adapt to such contaminants by using them as a source of nutrients during growth. However, efficient bioremediation requires an in-depth knowledge of microbial diversity and their metabolism related genes in the polluted niches. We employed MinION shotgun sequencing, to comprehend the biodegradation related genes and their function potential operating in the polluted urban riverine system of Western India. A vast number of catabolic genes were detected for the xenobiotic pollutants such as Benzoate, Nitrotoluene, Aminobenzoate, Drug metabolism, and Polycyclic Aromatic Hydrocarbons. Aerobic, and anaerobic catabolism genes, were mapped for their ability of degradation of xenobiotics. Interestingly, catabolism profiles of multiple aromatic compounds culminated into the Benzoate degradation pathway, suggesting it as a plausible central pathway for the autochthonous bacterial communities. Further mapping with RemeDB database, predicted plastic and dye degrading enzymes. Moreover, the diversity indices for the pollutant degrading enzymes suggested little variations (R-2 value of 18\%) between the city and non-city (outskirts of city limits) riverine stretch indicating the impact of industrialization in the outskirts of the city stretch as well. Altogether, this study would serve as a preliminary baseline for future explorations concerning river cleaning programs and also exploiting such microbes for bioremediation applications.

}, keywords = {Benzoate, Bioremediation, MinION, Riverine system, Xenobiotics}, issn = {0013-9351}, doi = {10.1016/j.envres.2020.110332}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh} } @article {47399, title = {gamma-Al2O3/triflic acid as cooperative catalysts for the tandem Michael addition/carbocyclization: an easy access to 2-substituted pyrrolo[2,1-a]isoquinolines and 3-substituted pyrrolidine-2,5-diones}, journal = {Journal of Heterocyclic Chemistry}, volume = {58}, year = {2021}, month = {JUL}, pages = {1415-1428}, type = {Article}, abstract = {

A tandem Michael addition/carbocyclization of 3,4-dimethoxyphenethyl maleimide with carbon and sulfur nucleophiles is accomplished via a relay catalysis using gamma-Al2O3/TfOH binary system. The X-ray Photoelectron Spectroscopy (XPS) analysis of binary system indicates the presence of AlF3, AlO(OH) species(.) This approach provides an easy access to 2-aryl or 2-thio aryl pyrrolo[2,1-a]isoquinolines in good yields in a tandem fashion. With suitable ratio of gamma-Al2O3/TfOH binary system, the Michael addition of N/C/S nucleophiles to N-benzyl maleimide is also achieved. A key to the success of these reactions would be the generation of AlF3, AlO(OH) species from gamma-Al2O3 and TfOH, which might have delineated the disadvantageous background reactions usually displayed by a strong Bronsted acid such as TfOH.

}, keywords = {1-a]isoquinolines, 3-substituted pyrrolidine-2, 5-diones, carbocyclization, gamma-Al2O3/TfOH binary system, Michael addition, pyrrolo[2}, issn = {0022-152X}, doi = {10.1002/jhet.4266, Early Access Date = APR 2021}, author = {Rao, Ramana Sreenivasa and Sahani, Anita and Ali, Sheikh Haider and Pradhan, Sumanta and Ramanathan, Chinnasamy Ramaraj} } @article {47351, title = {Gold-catalysed nitroalkyne cycloisomerization - synthetic utility}, journal = {Chemical Record}, volume = {21}, year = {2021}, month = {DEC}, type = {Article}, abstract = {

The gold-catalysed intramolecular redox cyclization of o-alkynylnitrobenzens documented by Professors Naoki Asao and Yoshinori Yamamoto is an important discovery that has opened two complementary research domains. Advancing this cyclization with other metals as well as developing new methods around the products that result from this reaction is one aspect that has seen growing interest. On the other hand, the idea of generating alpha-oxo gold carbenes via oxygen transfer to alkynes has established another important aspect in gold-catalysis. In this account, we will be dealing with the first aspect, which revolves around the internal redox cyclization of nitroalkynes (trivially called as nitroalkyne cycloisomerization), focusing mainly on the gold-complexes and the synthetic methods developed around it from our group and from other groups, and also providing the details of similar transformations documented with other metals so that the complementary reactivity/diversity of these transformations could be appreciated.

}, keywords = {alpha-Oxo Gold Carbene, Anthranil, Gold-catalysis, Internal Redox Cyclization, Isatogen}, issn = {1527-8999}, doi = {10.1002/tcr.202100111, Early Access Date = JUN 2021}, author = {Dhote, Pawan S. and Halnor, Swapnil V. and Ramana, Chepuri V.} } @article {47646, title = {Gold-catalyzed complementary nitroalkyne internal redox process: a DFT study}, journal = {Frontiers in Chemistry}, volume = {9}, year = {2021}, month = {JUL}, pages = {689780}, type = {Article}, abstract = {Gold-catalysis, in this century, is one of the most emerging and promising new areas of research in organic synthesis. During the last two decades, a wide range of distinct synthetic methodologies have been unveiled employing homogeneous gold catalysis and aptly applied in the synthesis of numerous natural products and biologically active molecules. Among these, the reactions involving alpha-oxo gold carbene/alpha-imino gold carbene intermediates are of contemporary interest, in view of their synthetic potential and also due to the need to understand the bonding involved in these complexes. In this manuscript, we document the theoretical investigations on the regio-selectivity dependence of substitution on the gold-catalyzed cycloisomerization of o-nitroarylalkyne derivatives. We have also studied the relative stabilities of alpha-oxo gold carbene intermediates.}, keywords = {alpha-Oxo Gold Carbene, cycloisomerization, DFT calculation, Gold-catalysis, internal redox}, issn = {2296-2646}, doi = {10.3389/fchem.2021.689780}, author = {Vipin Raj, K. and Dhote, Pawan S. S. and Vanka, Kumar and Ramana, Chepuri V. V.} } @article {47440, title = {Green route for carbonylation of amines by CO2 using Sn-Ni-O bifunctional catalyst and theoretical study for finding best suited active sites}, journal = {Chemical Engineering Journal }, volume = {419}, year = {2021}, month = {SEP}, pages = {129439}, type = {Article}, abstract = {

Reaction between n-alkylamine and CO2\ has gained interest due to the demand for the dialkylurea for various applications. For the first time, the tool\ Mathematica\ was used to analyze the experimental data with an idea to derive an equation which determines the best suited active sites for any given input set of dependent parameters. The equation can further be used to predict the product yield with the known values of active sites for a reaction. Among several Sn containing mixed oxides, Sn-Ni oxide (Sn-Ni-O) was found to be the better performing catalyst. The studies indicate that the formation of new defect sites when NiO and SnO2\ are in the mixed state and possibly a solid solution enhances the catalytic efficiency. There are two main reasons for improved catalytic performance; one, mixing of SnO2\ into NiO which reduces the number of holes (h+) localized on lattice oxygen (O2-+ h+{\textrightarrow} O{\textbullet}-) and two, smaller SnO2\ particles are dispersed on the bigger particle NiO which alters the acidic and basic active sites in the catalyst. FT-IR adsorption study with amine and CO2\ helped in deriving a plausible mechanism for this reaction. Under optimized reaction condition, Sn1.1-Ni-O-600 gave 77.3\% of n-butylamine conversion and 75.7\% of yield for 1,3-dibutylurea. The versatility of the catalyst was tested for carbonylation of different aliphatic and aromatic amines, diamine and hydroxy amine with CO2.

}, keywords = {amines, CO2, Mixed oxide catalyst and bi-functional catalyst, Substituted urea}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.129439}, author = {Kulal, Nagendra and Vetrivel, Rajappan and Gopinath, Chinnakonda S. and Ravindran, Rahul K. and Rao, Vinod N. and Shetty, Manjunath and Shrikanth, R. and Rangappa, Dinesh and Shanbhag, Ganapati V.} } @article {47077, title = {Green synthesis of methoxy-poly(ethylene glycol)-block-poly(l-lactide-co-glycolide) copolymer using zinc proline as a biocompatible initiator for irinotecan delivery to colon cancer in vivo}, journal = {Biomaterials Science}, volume = {9}, year = {2021}, month = {FEB}, pages = {795-806}, type = {Article}, abstract = {

Poly(lactic-co-glycolic acid) (PLGA) is the most commonly described biocompatible copolymer used in biomedical applications. In this work, a green synthetic approach based on the biocompatible zinc proline complex, as an initiator for PLGA synthesis, is reported for the first time for the synthesis of methoxy-poly(ethylene glycol)-block-poly(l-lactic-co-glycolic acid) (mPEG-PLGA). mPEG-PLGA with controlled molecular weight and narrow polydispersity was synthesised. Its potential for delivery of irinotecan (Ir), a poorly water-soluble chemotherapeutic drug used for the treatment of colon and pancreatic cancer, was studied. Nanoparticles of controlled size (140-160 nm), surface charge (similar to-10 mV), release properties and cytotoxicity against CT-26 (colon) and BxPC-3 (pancreatic) cancer cells, were prepared. Tumor accumulation was confirmed by optical imaging of fluorescently labelled nanoparticles. Unlike Tween (R) 80 coated NP-Ir, the Pluronic (R) F-127 coated NP-Ir exhibits significant tumor growth delay compared to untreated and blank formulation treated groups in the CT-26 subcutaneous tumor model, after 4 treatments of 30 mg irinotecan per kg dose. Overall, this proof-of-concept study demonstrates that the newly synthesized copolymer, via a green route, is proven to be nontoxic, requires fewer purification steps and has potential applications in drug delivery.

}, issn = {2047-4830}, doi = {10.1039/d0bm01421d}, author = {Giram, Prabhanjan S. and Wang, Julie Tzu-Wen and Walters, Adam A. and Rade, Priyanka P. and Akhtar, Muhammad and Han, Shunping and Faruqu, Farid N. and Abdel-Bar, Hend M. and Garnaik, Baijayantimala and Al-Jamal, Khuloud T.} } @article {47093, title = {Herbicidal bio-assay of isocladosporin enantiomers and determination of its plausible absolute configuration}, journal = {Journal of Antibiotics}, volume = {74}, year = {2021}, month = {APR}, pages = {280-284}, type = {Article}, abstract = {

A fungal metabolite, isocladosporin was isolated from natural fungus, Cladosporium cladosporioides in the mid of 90s. Due to the lack of optical rotation of isolated natural product sample, the absolute configuration of the natural product remained undetermined for more than two decades. Herein, we demonstrated an SAR study of enantiomers of isocladosporin in herbicidal bio-assay against wheat coleoptile. Using this study as a comparative tool we further proposed the plausible absolute configuration of natural isocladosporin for the first time. The assigned configuration was also supported through biogenetic precursors.

}, issn = {0021-8820}, doi = {10.1038/s41429-020-00391-1, Early Access Date = FEB 2021}, author = {Mankad, Yash and Das, Pronay and Pathan, Ejaj and Deshpande, V. M. and Reddy, D. Srinivasa} } @article {47353, title = {Highly compressible ceramic/polymer aerogel-based piezoelectric nanogenerators with enhanced mechanical energy harvesting property}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {JUN }, pages = {15750-15758}, type = {Article}, abstract = {

Ceramic piezoelectric materials have orders of magnitude higher piezoelectric coefficients compared to polymers. However, their brittleness precludes imposition of large strains in mechanical energy harvesting applications. We report here that ice templating affords low bulk modulus lead-free aerogel piezoelectric nanogenerators (PENG) with unprecedented combination of flexibility and high piezoelectric response (voltage and power density). A modified ice templating protocol was used to fabricate piezoelectric nanocomposites of surface modified BaTiO3 (BTO) nanoparticles in crosslinked polyethylene imine. This protocol allowed incorporating a significantly high fraction of BTO particles (up to 83 wt \%) in the aerogel, while retaining remarkably high compressibility and elastic recovery up to 80\% strain. The output voltage, at an applied compressive force of 20 N (100 kPa), increased with BTO loading and a maximum output voltage of 11.6 V and power density of 7.22 ?W/cm2 (49.79 ?W/cm3) was obtained for PENG aerogels containing 83 wt\% BTO, which is orders of magnitude higher than previously reported values for foam-based piezoelectric energy harvesters. The BTO/PEI PENGs also showed cyclic stability over 900 cycles of deformation. PENGs with higher porosity showed better elastic recovery and piezoelectric properties than lower porosity and higher BTO content aerogels. To the best of our knowledge, this is the first report to demonstrate the piezoelectric properties of high ceramic content aerogels having very high compressibility and elastic recovery.

}, keywords = {Ceramic polymer aerogels, energy harvesting, ice templating, piezoelectric}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.02.147}, author = {Ram, Farsa and Suresh, Karthika and Torris, Arun and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {47310, title = {Highly efficient and reusable Ru-NaY catalyst for the base free oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic acid}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, type = {Article}, abstract = {

Oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) is an important reaction for the production of recyclable bio-based polymers. Herein, we report a series of Ru nanoparticles supported on NaY zeolites catalysts for the oxidation of HMF to FDCA. The catalysts were prepared by simple ion exchanged method. Among all the catalysts, the optimized 3 wt \% Ru-NaY catalyst showed superior catalytic activity under base free conditions with a shorter period of reaction time. The conversion of HMF was 100 \% with 94 \% FDCA yield. This catalyst was reused for fourth cycles, with an insignificant decrease in the yield of FDCA. H2-chemisorption and HRTEM studies confirmed that high metal dispersion and small size of Ru nanoparticles play vital roles for the HMF oxidation. In addition, the acidic hydroxyl groups of the supercage as well as higher amount of metallic Ru{\textdegree} are also responsible for the high yield and productivity of FDCA.

}, doi = {10.1016/j.cattod.2020.05.009}, author = {Kandasamy, Prabu and Gogoi, Pranjal and Venugopalan, Aswathy Thareparambil and Raja, Thirumalaiswamy} } @article {47455, title = {Hydrophilic 3D interconnected network of bacterial nanocellulose/black titania photothermal foams as an efficient interfacial solar evaporator}, journal = {ACS Applied Bio Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4373{\textendash}4383}, type = {Article}, abstract = {

The design and development of scalable, efficient photothermal evaporator systems that reduce microplastic pollution are highly desirable. Herein, a sustainable bacterial nanocellulose (BNC)-based self-floating bilayer photothermal foam (PTFb) is designed that eases the effective confinement of solar light for efficient freshwater production via interfacial heating. The sandwich nanoarchitectured porous bilayer solar evaporator consists of a top solar-harvesting blackbody layer composed of broad-spectrum active black titania (BT) nanoparticles embedded in the BNC matrix and a thick bottom layer of pristine BNC for agile thermal management, the efficient wicking of bulk water, and staying afloat. A decisive advantage of the BNC network is that it enables the fabrication of a lightweight photothermal foam with reduced thermal conductivity and high wet strength. Additionally, the hydrophilic three-dimensional (3D) interconnected porous network of BNC contributes to the fast evaporation of water under ambient solar conditions with reduced vaporization enthalpy by virtue of intermediated water generated via a BNC{\textendash}water interaction. The fabricated PTFb\ is found to yield a water evaporation efficiency of 84.3\% (under 1054 W m{\textendash}2) with 4 wt \% BT loading. Furthermore, scalable PTFb\ realized a water production rate of 1.26 L m{\textendash}2\ h{\textendash}1\ under real-time conditions. The developed eco-friendly BNC-supported BT foams could be used in applications such as solar desalination, contaminated water purification, extraction of water from moisture, etc., and thus could address one of the major present-day global concerns of drinking water scarcity.

}, doi = {10.1021/acsabm.1c00143}, author = {Nabeela, Kallayi and Thorat, Meghana and Sumina, N. B. and Ramachandran, Animesh M. and Thomas, Reny Thankam and Preethikumar, Gopika and Mohamed, A. Peer and Asok, Adersh and Dastager, Syed Gulam and Pillai, Saju} } @article {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 {47122, title = {Improved photocatalytic efficiency of TiO2 by doping with tungsten and synthesizing in ionic liquid: precise kinetics-mechanism and effect of oxidizing agents}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {APR}, pages = {17532-17545}, type = {Article}, abstract = {

The degradation of nitroaromatics/toxic energetic compounds contaminated water is a major cause of concern. W-doped TiO2 nanoparticles (NPs) were synthesized in ionic liquid, ethyl methyl imidazolium dicyanamide (EMIM-DCA) by a solvothermal method. The developed NPs were sintered at 500 degrees C and characterized by UV-Vis-DRS, FT-IR, FE-SEM, XRD, XPS, and BET techniques. The 30-40-nm-sized NPs were subjected to photocatalytic degradation of the toxic energetic compound, tetryl (2,4,6-trinitrophenylmethylnitramine) under UV-Vis light. Various operating parameters such as the effect of concentration of catalyst, pH of feed phase, oxidizing agents, and recycling of catalyst were studied in detail. For the first time, the degradation-mechanism pathway and kinetics of tetryl were evaluated. The degradation products were precisely analyzed by using HPLC, GC-MS, and TOC techniques. The USEPA has prescribed a drinking water limit of 0.02 mg L-1, and it was found that 0.5 g of 4\% W-TiO2 could totally degrade tetryl (50 mg L-1) within 8 h. The kinetic rate constant of 4\% W-TiO2 was 0.356 h(-1), whereas pure TiO2 showed 0.207 h(-1).

}, keywords = {Ionic liquid, Nitroaromatics, Photocatalysis, Recycling of catalyst, W-doped TiO2, wastewater}, issn = {0944-1344}, doi = {10.1007/s11356-020-12107-x, Early Access Date = JAN 2021}, author = {Raut, Sandesh S. and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {47053, title = {Improvement in serum amylase and glucose levels in diabetic rats on oral administration of bisdemethoxycurcumin from Curcuma longa and limonoids from Azadirachta indica}, journal = {Journal of Food Biochemistry}, volume = {45}, year = {2021}, month = {APR}, pages = {e13674}, type = {Article}, abstract = {

Curcuma longa and Azadirachta indica are traditionally used in Indian cuisine and Ayurvedic medicine as nutraceuticals against diabetes. The crude C. longa isopropanol extract, bisdemethoxycurcumin (BDMC), the purified bioactive component from C. longa, and limonoids azadiradione, gedunin from A. indica, are able to inhibit in vitro the antidiabetic target human pancreatic alpha-amylase independently. However, no reports on their in vivo efficacy in animal models exist. Thus, the antidiabetic effect of these orally administered human pancreatic alpha-amylase inhibitors was performed on streptozotocin-induced Sprague-Dawley rats. Initially, the normal rats were treated with test compounds (10-100 mg/kg of body weight) in corn oil (5 ml/kg), and as no lethality was observed in these doses, further studies were carried out with lowest concentration of 10 mg/kg of body weight. A reduction in area under curve (AUC) suggested glucose-lowering effect of these compounds in starch fed diabetic rats. The efficacy study showed a significant improvement in body weight, blood glucose levels, serum amylase, and fructosamine levels as well in other serum parameters associated with diabetes with respect to liver and renal functions. Hence, under in vivo conditions, inhibition of alpha-amylase activity by BDMC and limonoids affirms it as one of the mechanisms of action resulting in reduction of blood glucose levels. Practical applications Bisdemethoxycurcumin from C. longa and limonoids, namely, azadiradione and gedunin, from A. indica are potent inhibitors of the antidiabetic target human pancreatic alpha-amylase. Oral Starch Tolerance Test (OSTT) and 28-day efficacy study to check the effect of these orally administered inhibitors in diabetic rat models showed significant improvements in serum blood glucose and amylase levels as well as in other diabetes related serum parameters, namely, bilirubin, lipids, lactate dehydrogenase, alkaline phosphatase, and urea. The study contributes to understanding the action and efficacy of these pancreatic alpha-amylase inhibitors and suggests a potential role for them as nutraceuticals/therapeutics in management of post-prandial hyperglycemia.

}, keywords = {\&\#8208, \&\#945, Amylase inhibitors, Azadiractha indica, BDMC, Curcuma longa, in vivo rat studies, Limonoids}, issn = {0145-8884}, doi = {10.1111/jfbc.13674, Early Access Date = FEB 2021}, author = {Ramkumar, Sudha and Thulasiram, V. H. and RaviKumar, Ameeta} } @article {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 {47807, title = {In vitro antitubercular screening and in silico study of germacradienolide from blainvillea latifolia}, journal = {Asian Journal of Chemistry}, volume = {33}, year = {2021}, month = {JAN}, pages = {3129-3133}, type = {Article}, abstract = {Bioassay-guided isolation from acetone extract of Blainvillea latifolia yielded one compound. The acetone extract, fractions and the compound 1 were investigated for antitubercular activity against Mycobacterium tuberculosis H37Ra. Compound 1 showed the activity with IC50 and MIC values at 8.9 and >100 μg/mL. However, the acetone extract of Blainvillea latifolia was inactive against two Gram negative (E. coli, P. flurescence) and two Gram-positive (S. aureus, B. subtilis) bacterial strains. Hence, it was concluded that the extract and the compound 1 are specifically active against MTB and not against bacterial strains. Molecular docking study was performed against crucial mycobacterial target MtInhA to gain an insight into the binding mode and the thermodynamic interactions governing the binding affinity of this molecule. }, doi = {10.14233/ajchem.2021.23537}, author = {Honmore, Varsha and Kalyankar, Vidya and Natu, Arun and Khedkar, Vijay and Sarkar, Dhiman and Rojatkar, Supada} } @article {47445, title = {Influence of sodium caseinate, maltodextrin, pectin and their Maillard conjugate on the stability, in vitro release, anti-oxidant property and cell viability of eugenol-olive oil nanoemulsions}, journal = {International Journal of Biological Macromolecules}, volume = {183}, year = {2021}, month = {JUL}, pages = {158-170}, type = {Article}, abstract = {

The influence of protein (sodium caseinate-SC), polysaccharide (maltodextrin-MD; pectin-PC) and their Maillard conjugates (sodium caseinate maltodextrin conjugate-SCMDC; sodium caseinate pectin conjugate-SCPCC) were studied on the physico-chemical and biological properties of eugenol nanoemulsions/powder. The chemical composition was optimized using Taguchi design. The particles size of eugenol nanoemulsions with SC, MD, PC, SCMDC and SCPCC were 104.6, 323.5, 1872, 181.7, and 454.4 nm, respectively while their zeta potentials were -31.2, -28.5, -21.4, -40.1 and -25.1 mV, respectively. Turbidity studies revealed higher stability of nanoemulsion prepared with Maillard conjugate (SCMDC) compared to protein or polysaccharides alone. The dispersion of SCMDC eugenol nanoparticles in buffer was prepared to study its stability at different pH (3.0, 5.0, and 7.0) and temperature (4{\textdegree}, 37{\textdegree}, 60 {\textdegree}C) range. In-vitro enzymatic release study showed 31 and 74\% release of eugenol after 6 h at pH 2.4 and 7.4, respectively. In vitro antioxidant capacity of SCMDC encapsulated eugenol was higher than native eugenol, as demonstrated by free radical scavenging assays. In comparison to native eugenol, E:SCMDC eugenol showed reduced toxicity. These findings suggested that nanoencapsulated eugenol (E:SCMDC) have a huge potential in nutraceutical and therapeutic applications.

}, doi = {10.1016/j.ijbiomac.2021.04.122}, author = {Nagaraju, Pramod G. and Sindhu, P. and Dubey, Tushar and Chinnathambi, Subashchandrabose and Priyadarshini, Poornima and Rao, Pooja J.} } @article {47708, title = {An innovative light assisted production of acetic acid from CO2 and methanol: a first photocatalytic approach using a reusable cobalt(ii) molecular hybrid at atmospheric pressure}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {NOV}, pages = {9048-9060}, type = {Article}, abstract = {Acetic acid is an important commodity chemical that is produced either by fermentation processes, or more commonly, through chemical routes such as methanol carbonylation with CO and H-2, acetaldehyde oxidation, or hydrocarbon oxidation. More recently, methanol hydrocarboxylation with CO2 and H-2 under thermal catalytic conditions has attracted interest. The synthesis of acetic acid from easily available CO2 is of great significance yet rarely reported. The present paper describes the first photocatalytic approach for the synthesis of acetic acid from methanol and CO2 under ambient reaction conditions without using molecular hydrogen. The maximum conversion of methanol achieved is 60\% with a selectivity of 81\% towards acetic acid using an octa-sulfur bound cobalt phthalocyanine (CoPc/S8) photocatalyst without an additional sacrificial electron donor. Product analysis, controlled experiments and DFT calculations suggest the formation of methylene carbene as a reactive intermediate. The developed methodology represents a potentially exciting approach for synthesizing acetic acid utilizing CO2 in a sustainable manner.}, issn = {1463-9262}, doi = {10.1039/d1gc02728j}, author = {Saini, Sandhya and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Ray, Anjan and Jain, Suman L.} } @article {47390, title = {Insights from a pan India Sero-epidemiological survey (Phenome-India Cohort) for SARS-CoV2}, journal = {eLife}, volume = {10}, year = {2021}, month = {APR }, pages = {e66537}, type = {Article}, abstract = {

To understand the spread of SARS-CoV2, in August and September 2020, the Council of Scientific and Industrial Research (India) conducted a serosurvey across its constituent laboratories and centers across India. Of 10,427 volunteers, 1058 (10.14\%) tested positive for SARS-CoV2 anti-nucleocapsid (anti-NC) antibodies, 95\% of which had surrogate neutralization activity. Three-fourth of these recalled no symptoms. Repeat serology tests at 3 (n = 607) and 6 (n = 175) months showed stable anti-NC antibodies but declining neutralization activity. Local seropositivity was higher in densely populated cities and was inversely correlated with a 30-day change in regional test positivity rates (TPRs). Regional seropositivity above 10\% was associated with declining TPR. Personal factors associated with higher odds of seropositivity were high-exposure work (odds ratio, 95\% confidence interval, p value: 2.23, 1.92-2.59, \<0.0001), use of public transport (1.79, 1.43-2.24, \<0.0001), not smoking (1.52, 1.16-1.99, 0.0257), non-vegetarian diet (1.67, 1.41-1.99, \<0.0001), and B blood group (1.36, 1.15-1.61, 0.001).

}, issn = {2050-084X}, doi = {10.7554/eLife.66537}, author = {Naushin, Salwa and Sardana, Viren and Ujjainiya, Rajat and Bhatheja, Nitin and Kutum, Rintu and Bhaskar, Akash Kumar and Pradhan, Shalini and Prakash, Satyartha and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Chandak, Giriraj Ratan and Lahiri, Amit and Kar, Susanta and Mulay, Shrikant Ramesh and Mugale, Madhav Nilakanth and Srivastava, Mrigank and Khan, Shaziya and Srivastava, Anjali and Tomar, Bhawana and Veerapandian, Murugan and Venkatachalam, Ganesh and Vijayakumar, Selvamani Raja and Agarwal, Ajay and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Sundaram, Gopinath M. and Veeranna, Ravindra P. and Pal, Anirban and Agarwal, Vinay Kumar and Maurya, Anil Ku and Singh, Ranvijay Kumar and Raman, Ashok Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Venkatesan, Subramanian and Sardana, Harish Kumar and Kothari, Anamika and Jain, Rishabh and Thakur, Anupama and Parihar, Devendra Singh and Saifi, Anas and Kaur, Jasleen and Kumar, Virendra and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Singh, Praveen and Chakraborty, Rahul and Chaturvedi, Gaura and Karunakar, Pinreddy and Yadav, Rohit and Singhmar, Sunanda and Singh, Dayanidhi and Sarkar, Sharmistha and Bhattacharya, Purbasha and Acharya, Sundaram and Singh, Vandana and Verma, Shweta and Soni, Drishti and Seth, Surabhi and Vashisht, Sakshi and Thakran, Sarita and Fatima, Firdaus and Singh, Akash Pratap and Sharma, Akanksha and Sharma, Babita and Subramanian, Manikandan and Padwad, Yogendra S. and Hallan, Vipin and Patial, Vikram and Singh, Damanpreet and Tripude, Narendra Vijay and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sarkar, Jit and Ramakrishna, Sistla and Kumar, Balthu Narender and Kumar, Kiran A. and Gandhi, Sumit G. and Jamwal, Piyush Singh and Chouhan, Rekha and Jamwal, Vijay Lakshmi and Kapoor, Nitika and Ghosh, Debashish and Thakkar, Ghanshyam and Subudhi, Umakanta and Sen, Pradip and Chaudhury, Saumya Ray and Kumar, Rashmi and Gupta, Pawan and Tuli, Amit and Sharma, Deepak and Ringe, Rajesh P. and Amarnarayan, D. and Kulkarni, Mahesh and Shanmugam, Dhansekaran and Dharne, Mahesh S. and Dastager, Sayed G. and Joshi, Rakesh and Patil, Amita P. and Mahajan, Sachin N. and Khan, Abujunaid Habib and Wagh, Vasudev and Yadav, Rakesh Kumar and Khilari, Ajinkya and Bhadange, Mayuri and Chaurasiya, Arvindkumar H. and Kulsange, Shabda E. and Khairnar, Krishna and Paranjape, Shilpa and Kalita, Jatin and Sastry, Narahari G. and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, Ravi Kumar and Babu, Elapavalooru Vssk and Sukumaran, Rajeev and Nair, Aiswarya R. and Valappil, Prajeesh Kooloth and Puthiyamadam, Anoop and Velayudhanpillai, Adarsh and Chodankar, Kalpana and Damare, Samir and Madhavi, Yennapu and Aggarwal, Ved Varun and Dahiya, Sumit and Agrawal, Anurag and Dash, Debasis and Sengupta, Shantanu} } @article {46630, title = {Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {JAN }, pages = {674-681}, type = {Article}, abstract = {

Developing donors for Ziegler-Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi-component nature of the catalytic systems. Here, we have developed a new synthetic protocol for making two external donors, D-1 (2,2,2-trifluoroethyl myristate) and D-2 (2,2,2-trifluoroethyl palmitate) that show self-extinguishing properties, followed by a systematic DFT study to understand this peculiar property of these donors. D-1 and D-2 can undergo parallel reactions with aluminum and titanium species present in the system to produce ketones and aldehydes, which are poisons for ZN catalytic systems, thus explaining their self-extinguishing nature. The non-covalent interaction between the long alkyl chain of the donors with the surface plays a vital role in determining the donors {\textquoteleft} self-extinguishing nature. There is a significant thermodynamic preference for the binding of the donor with the longer alkyl chain at the titanium center. The current work, therefore, provides interesting insights into how self-extinguishing donors function in ZN catalytic systems.

}, keywords = {DFT, donors, non-covalent interactions, self-extinguishing, Ziegler-Natta catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202001493, Early Access Date = NOV 2020}, author = {Vipin Raj, K. and Kumawat, Jugal and Dhamaniya, Sunil and Subaramanian, Murugan and Balaraman, Ekambaram and Kumar Gupta, Virendra and Vanka, Kumar and Grubbs, Robert H.} } @article {47754, title = {In-situ experimental and computational approach to investigate the nature of active site in low-temperature CO-PROX over CuOx-CeO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {624}, year = {2021}, month = {AUG }, pages = {118305}, type = {Article}, abstract = {Preferential oxidation (PROX) of carbon monoxide (CO) in presence of excess hydrogen is a necessity to prevent poisoning of the Pt-anode by CO in PEMFCs (Polymer Electrolyte Membrane Fuel Cell). A highly active catalyst, 5 wt\% Cu-CeO2 showed 100 \% CO conversion at 65 degrees C without any undesirable oxidation of H-2. The catalyst showed no deactivation even after 100 h on stream, making it viable for practical fuel cell application. Operando EPR in the PROX reaction condition revealed highly dispersed mixed valent cations with oxygen vacancies, responsible for the low-temperature PROX activity. At the active site, both Cu and Ce ions were shown to reversibly change their valence states to facilitate the abstraction of bridging lattice oxygen for CO oxidation to CO2. This surface oxygen mediated CO oxidation was found to be much faster than that of H-2 to H2O, which could explain the complete selectivity of oxygen for CO2 formation.}, keywords = {CuOx-CeO2, interface, Oxygen vacancy, PROX, Synergistic}, issn = {0926-860X}, doi = {10.1016/j.apcata.2021.118305}, author = {Adak, Shubhadeep and Rabeah, Jabor and Ranjan, Ravi and Khan, Tuhin Suvra and Poddar, Mukesh Kumar and Gupta, Rishi Kumar and Sasaki, Takehiko and Kumar, Sagar and Bordoloi, Ankur and Gopinath, Chinnakonda S. and Bruckner, Angelika and Bal, Rajaram} } @article {47113, title = {Integrated genetic and metabolic landscapes predict vulnerabilities of temozolomide resistant glioblastoma cells}, journal = {npj Systems Biology and Applications}, volume = {7}, year = {2021}, month = {JAN }, pages = {2}, type = {Article}, abstract = {

Metabolic reprogramming and its molecular underpinnings are critical to unravel the duality of cancer cell function and chemo-resistance. Here, we use a constraints-based integrated approach to delineate the interplay between metabolism and epigenetics, hardwired in the genome, to shape temozolomide (TMZ) resistance. Differential metabolism was identified in response to TMZ at varying concentrations in both the resistant neurospheroidal (NSP) and the susceptible (U87MG) glioblastoma cell-lines. The genetic basis of this metabolic adaptation was characterized by whole exome sequencing that identified mutations in signaling pathway regulators of growth and energy metabolism. Remarkably, our integrated approach identified rewiring in glycolysis, TCA cycle, malate aspartate shunt, and oxidative phosphorylation pathways. The differential killing of TMZ resistant NSP by Rotenone at low concentrations with an IC50 value of 5 nM, three orders of magnitude lower than for U87MG that exhibited an IC50 value of 1.8 mM was thus identified using our integrated systems-based approach.

}, doi = {10.1038/s41540-020-00161-7}, author = {Immanuel, Selva Rupa Christinal and Ghanate, Avinash D. and Parmar, Dharmeshkumar S. and Yadav, Ritu and Uthup, Riya and Panchagnula, Venkateswarlu and Raghunathan, Anu} } @article {47587, title = {Intramolecularly double-donor-stabilized stannylene and its coordination towards Ag(I) and Au(I) centers}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {AUG }, pages = {2118-2125}, type = {Article}, abstract = {The intramolecularly double-donor-stabilized stannylene 1 has been synthesized from the salt-metathesis reaction between two equivalents of lithium pyridine ene-amide L1 and SnCl2. Compound 1 exhibits dipolar behavior when reacted with B(C6F5)(3) leading to the zwitterionic compound 2. The reaction of 1 with one equivalent and 0.5 equivalent of AgOTf (OTf=trifluoromethane sulfonate) result in the formation of a stannylene-AgOTf complex 3 and a homoleptic distannylene-silver ionic complex 4, respectively. Analogous to complex 4, the gold(I) complex 5 has been synthesized from the reaction between two equivalents of 1 and 0.5 equivalent of AuCl.SMe2/Me3SiOTf. Complex 5 is the first example of homoleptic stannylene-Au(I) ionic complex among the very scarce reports on stannylene-gold(I) coordination complexes. All compounds have been structurally characterized using single crystal X-ray crystallography. Solution-state characterization have been performed using multinuclear NMR techniques. Detailed DFT calculations on the optimized geometries 1 o, 3 o-5 o reveal the change in sp- hybridization on the pyramidal Sn(II) center upon metal coordination and their bonding overlaps.}, keywords = {coordination, gold cation, hybridization, intramolecular donor, stannylene}, issn = {1861-4728}, doi = {10.1002/asia.202100523}, author = {Chibde, Purva and Raut, Ravindra K. and Kumar, Vikas and Deb, Rahul and Gonnade, Rajesh and Majumdar, Moumita} } @article {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 {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 {47430, title = {Mechanism of adhesion of natural polymer coatings to chemically modified siloxane polymer}, journal = {Langmuir}, volume = {37}, year = {2021}, month = {MAR }, pages = {2974-2984}, type = {Article}, abstract = {

Surface coatings play an important role in improving the performance of biomedical implants. Polydimethylsiloxane (PDMS) is a commonly used material for biomedical implants, and surface-coated PDMS implants frequently face problems such as delamination or cracking of the coating. In this work, we have measured the performance of nano-coatings of the biocompatible protein polymer silk fibroin (SF) on pristine as well as modified PDMS surfaces. The PDMS surfaces have been modified using oxygen plasma treatment and 3-amino-propyltriethoxy-silane (APTES) treatment. Although these techniques of PDMS modification have been known, their effects on adhesion of SF nano-coatings have not been studied. Interestingly, testing of the coated samples using a bulk technique such as tensile and bending deformation showed that the SF nano-coating exhibits improved crack resistance when the PDMS surface has been modified using APTES treatment as compared to an oxygen plasma treatment. These results were validated at the microscopic and mesoscopic length scales through nano-scratch and nano-indentation measurements. Further, we developed a unique method using modified atomic force microscopy to measure the adhesive energy between treated PDMS surfaces and SF molecules. These measurements indicated that the adhesive strength of PDMS-APTES-SF is 10 times more compared to PDMS-O-2-SF due to the higher number of molecular linkages formed in this nanoscale contact. This lower number of molecular linkages in the PDMS-O-2 indicates that only fewer numbers of surface hydroxyl groups interact with the SF protein through secondary interactions such as hydrogen bonding. On the other hand, a larger number of amine groups present on PDMS-APTES surface hydrogen bond with the polar amino acids present on the silk fibroin protein chain, resulting in better adhesion. Thus, APTES modification to the PDMS substrate results in improved adhesion of nano-coating to the substrate and enhances the delamination and crack resistance of the nano-coatings.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.1c00047}, author = {Joseph, Emmanuel and Rajput, Shatruhan Singh and Patil, Shivprasad and Nisal, Anuya} } @article {47451, title = {Metagenomic analysis of a mega-city river network reveals microbial compositional heterogeneity among urban and peri-urban river stretch}, journal = {Science of the Total Environment}, volume = {783}, year = {2021}, month = {AUG }, pages = {146960}, type = {Article}, abstract = {

The rivers in the megacities face a constant inflow of extremely polluted wastewaters from various sources, and their influence on the connected peri-urban river is still poorly understood. The riverine system in Pune consists of Rivers Mula, Ramnadi, Pawana, Mutha, and Mula-Mutha, traversing through the urban settlements of Pune before joining River Bhima in the peri-urban region. We used MinION-based metagenomic sequencing to generate a comprehensive understanding of the microbial diversity differ-ences between the urban and peri-urban zones, which has not been explored at the meta scale until date. The taxonomic analysis revealed significant enrichment of pollution indicators microbial taxa (Welsch{\textquoteright}s t-test, p \< 0.05, Benjamini-Hochberg FDR test) such as Bacteriodetes, Firmicutes, Spirochaetes, Synergistetes, Euryarcheota in the urban waters as compared to peri-urban waters. Further, the peri-urban waters showed a significantly higher prevalence of ammonium oxidising archaeal groups such as Nitrososphaeraceae (Student{\textquoteright}s t-test p-value \<0.05 with FDR correction), thereby probably suggesting the influence of agricultural runoffs. Besides, the microbial community diversity assessment also indicated the significant dissimilarity in the microbial community of urban and peri-urban waters. Overall, the analysis predicted 295 virulence genes mapping to 38 different path-ogenic bacteria in the riverine system. Moreover, the higher genome coverage (at least 60\%) for priority patho-gens such as Pseudomonas, Klebsiella, Acinetobacter, Escherichia, Aeromonas in the sediment metagenome consolidates their dominance in this riverine system. To conclude, our investigation showed that the unre-strained anthropogenic and related activities could potentially contribute to the overall dismal conditions and in-fluence the connected riverine stretches on the outskirts of the city . (c) 2021 Elsevier B.V. All rights reserved.

}, keywords = {Industrialisation, Peri-urban, Riverine system, Urbanisation, Virulence factors}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2021.146960}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh} } @article {47448, title = {Metagenomic analysis reveals genetic insights on biogeochemical cycling, xenobiotic degradation, and stress resistance in mudflat microbiome}, journal = {Journal of Environmental Management}, volume = {292}, year = {2021}, month = {AUG}, pages = {112738}, type = {Article}, abstract = {

Mudflats are highly productive coastal ecosystems that are dominated by halophytic vegetation. In this study, the mudflat sediment microbiome was investigated from Nalabana Island, located in a brackish water coastal wetland of India; Chilika, based on the MinION shotgun metagenomic analysis. Bacterial, archaeal, and fungal communities were mostly composed of Proteobacteria (38.3\%), Actinobacteria (20.7\%), Euryarchaeota (76.1\%), Candidatus Bathyarchaeota (6.8\%), Ascomycota (47.2\%), and Basidiomycota (22.0\%). Bacterial and archaeal community composition differed significantly between vegetated mudflat and un-vegetated bulk sediments. Carbon, nitrogen, sulfur metabolisms, oxidative phosphorylation, and xenobiotic biodegradation were the most common microbial functionalities in the mudflat metagenomes. Furthermore, genes involved in oxidative stresses, osmotolerance, secondary metabolite synthesis, and extracellular polymeric substance synthesis revealed adaptive mechanisms of the microbiome in mudflat habitat. Mudflat metagenome also revealed genes involved in the plant growth and development, suggesting that microbial communities could aid halophytic vegetation by providing tolerance to the abiotic stresses in a harsh mudflat environment. Canonical correspondence analysis and co-occurrence network revealed that both biotic (vegetation and microbial interactions) and abiotic factors played important role in shaping the mudflat microbiome composition. Among abiotic factors, pH accounted for the highest variance (20.10\%) followed by available phosphorus (19.73\%), total organic carbon (9.94\%), salinity (8.28\%), sediment texture (sand) (6.37\%) and available nitrogen (5.53\%) in the mudflat microbial communities. Overall, this first metagenomic study provided a comprehensive insight on the community structure, potential ecological interactions, and genetic potential of the mudflat microbiome in context to the cycling of organic matter, xenobiotic biodegradation, stress resistance, and in providing the ecological fitness to halophytes. These ecosystem services of the mudflat microbiome must be considered in the conservation and management plan of coastal wetlands. This study also advanced our understanding of fungal diversity which is understudied from the coastal lagoon ecosystems.

}, doi = {10.1016/j.jenvman.2021.112738 }, author = {Mohapatra, Madhusmita and Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh S. and Rastogi, Gurdeep} } @article {47636, title = {Metagenomic exploration reveals a differential patterning of antibiotic resistance genes in urban and peri-urban stretches of a riverine system}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {DEC}, pages = {66477-66484}, type = {Article}, abstract = {{Antimicrobial resistance in the riverine ecosystem of urban areas is an alarming concern worldwide, indicating the importance of molecular monitoring to understand their patterning in urban and peri-urban areas. In the present study, we evaluated the influence of urban rivers on the connected peri-urban rivers of a riverine system of India in the context of antibiotic resistance genes. The rivers traversing through urban (Mula, Mutha, Pawana, and Ramnadi) and peri-urban stretches (Bhima and Indrayani) form the riverine system of Pune district in Maharashtra, India. The MinION-based shotgun metagenomic analysis revealed the resistome against 26 classes of antibiotics, including the last line of antibiotics. In total, we observed 278 ARG subtypes conferring resistance against multiple drugs (40\%), bacitracin (10\%), aminoglycoside (7.5\%), tetracycline (7\%), and glycopeptide (5\%). Further, the alpha diversity analysis suggested relatively higher ARG diversity in the urban stretches than peri-urban stretches of the riverine system. The NMDS (non-metric multidimensional scaling) analysis revealed significant differences with overlapping similarities (stress value = 0.14}, keywords = {Antibiotic resistance, MinION, Peri-urban rivers, Urbanization}, issn = {0944-1344}, doi = {10.1007/s11356-021-16910-y}, author = {Rajput, Vinay and Yadav, Rakeshkumar and Dharne, Mahesh S.} } @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 {47640, title = {Metal-free, acid-catalyzed 1,6-conjugate addition of NH-sulfoximines to para-quinone methides: accessing to diarylmethine imino sulfanone}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {AUG }, pages = {10129-10139}, type = {Article}, abstract = {We have reported an efficient and metal-free method for the construction of alpha-diarylmethine imino sulfanone using acid-catalyzed 1,6-conjugate addition of sulfoximines on para-quinine methides (p-QMs). This method showed broad functional group tolerance and a wide range of substrate scope with good to excellent yield. The excellent protocol exhibits mild reaction conditions with high atom economy. The practicability of the present method was supported by a Gram-scale reaction.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00869}, author = {More, Satish G. and Rupanawar, Bapurao D. and Suryavanshi, Gurunath} } @article {47709, title = {Methyl esters of fungal biomass-derived lipids produced via solid-state fermentation of sugarcane bagasse and assessment as a blend component in diesel fuel.}, journal = {Journal of the American Oil Chemists Society}, volume = {98}, year = {2021}, month = {SEP}, pages = {164-165}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Khot, Mahesh and RaviKumar, Ameeta and Kumar, V. Ravi} } @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 {47074, title = {Multiple-parallel-protease digestion coupled with high-resolution mass spectrometry: an approach towards comprehensive peptide mapping of therapeutic mAbs}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB}, pages = {104053}, type = {Article}, abstract = {

Therapeutic monoclonal antibodies (mAbs) are structurally large and complex molecules. To be safe and efficacious, a biosimilar mAb must show high similarity to its reference product in Critical Quality Attributes (CQA). mAbs are highly sensitive to protein expression, production, manufacturing, supply chain, and storage conditions. All these factors make biosimilar mAbs intrinsically susceptible for variability during production. Accordingly, several lots of references and tests are required to establish the biosimilarity of a test mAb. The primary structure is a CQA of a mAb affecting its safety and efficacy. Here, we apply peptide mapping as an analytical method to decipher the primary structure and associated modifications for a quick quality assessment of TrastuzumAb and RituximAb innovator and biosimilar. A multiple-parallel-protease digestion strategy followed by high-resolution mass spectrometric analysis consistently achieved 100\% sequence coverage along with reliable detection of post-translational modifications. Additionally, the use of supporting methods such as intact mass analysis and circular dichroism helped us to decipher the primary and higher order structures of these mAbs. We identify discernible variations in the profile of the innovator and biosimilar mAbs and validate the method for quick yet deep comparability analysis of the primary structure of biosimilar mAbs sold in the market. Significance: Peptide mapping using bottom-up approach is one of the most common methods for the characterization of therapeutic monoclonal antibodies. Herein, we describe a multi-parallel-protease digestion strategy using a combination of five different proteases followed by high-resolution mass spectrometric analysis with TrastuzumAb and RituximAb as an example. This resulted in a comprehensive identification of peptides with increased reliability and identification of different PTMs. Additional supporting orthogonal methods like intact mass and higher-order structure analysis helped evaluate broader conformational properties.

}, keywords = {LC-MS/MS, PTM, RituximAb, Therapeutic monoclonal antibodies, TrastuzumAb}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104053}, author = {Pradhan, Gauri and Sneha, J. M. and Sonwane, Babasaheb P. and Santhakumari, B. and Rao, Alka and Kulkarni, Mahesh J.} } @article {47396, title = {Nickel-catalyzed difunctionalization of alkynyl bromides with thiosulfonates and N-arylthio succinimides: a convenient synthesis of 1,2-thiosulfonylethenes and 1,1-dithioethenes}, journal = {Synthesis-Stuttgart}, year = {2021}, month = {APR }, type = {Article; Early Access}, abstract = {

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

}, keywords = {alkynyl bromides, atom transfer radical addition (ATRA), thiosulfonates, thiosulfonylation, vinyl thiosulfones}, issn = {0039-7881}, doi = {10.1055/a-1482-2486, Early Access Date = APR 2021}, author = {Kumari, Arram Haritha and Kumar, Jangam Jagadesh and Krishna, Gamidi Rama and Reddy, Raju Jannapu} } @article {47380, title = {One-dimensional multichannel g-C3N4.7 nanostructure realizing an efficient photocatalytic hydrogen evolution reaction and its theoretical investigations}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {APR }, pages = {3118-3129}, type = {Article}, abstract = {

The emerging metal-free carbon nitride (C3N4) offers prominent possibilities for realizing the highly effective hydrogen evolution reaction (HER). However, its poor surface conductivity and insufficient catalytic sites hinder the HER performance. Herein, a one-dimensional vermicular rope-like graphitic carbon nitride nanostructure is demonstrated that consists of multichannel tubular pores and high nitrogen content, which is fabricated through a cost-effective approach having the final stoichiometry g-C3N4.7 for HER application. The present g-C3N4.7 is unique owing to the presence of abundant channels for the diffusion process, modulated surface chemistry with rich- electroactive sites from N-electron lone pairs, greatly reduced recombination rate of photoexcited exciton pairs, and a high donor concentration (4.26 x 10(17) cm(3)). The catalyst offers a visible-light-driven photocatalytic H-2 evolution rate as high as 4910 mu mol h(-1)g(-1) with an apparent quantum yield of 14.07\% at band gap absorption (2.59 eV, 479 nm) under 7.68 mW cm(-2) illumination. The number of hydrogen gas molecules produced is 1.307 x 10(15) s(-1) cm(-2), which remained constant for a minimum of 18 h of repeated cycling in the HER without any degradation of the catalyst. In density functional theory calculations, a significant change in the band offset is observed due to N doping into the system in favor of electron catalysis. The theoretical band gap of a monolayer of g-C3N4.7 was enormously reduced because of the presence of additional densities of states from the doped N atom inside the band gap. These impurity or donor bands are formed inside the band gap region, which ultimately enhance the hydrogen ion reduction reaction enormously.

}, keywords = {carbon nitride, Density functional theory, hydrogen evolution reaction, nitrogen-rich, Photocatalyst}, issn = {2574-0962}, doi = {10.1021/acsaem.0c02858}, author = {Antil, Bindu and Kumar, Lakshya and Ranjan, Ravi and Shenoy, Sulakshana and Tarafder, Kartick and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {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 {47680, title = {One-pot oxidation of secondary alcohols to alpha-hydroxy ketones: application to synthesis of oxoaplysinopsin D, E, F, \& G}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {APR }, pages = {2188-2192}, type = {Article}, abstract = {A simple one-pot transformation of secondary alcohols to alpha-hydroxy ketones using pyridinium dichromate (PDC) in DMF has been developed and substrate scope tested with 25 compounds of hydantoin derivatives. Using this method, we have devised a common dihydroxy intermediate and synthesized four natural products oxoaplysinopsins D, E, F, and G for the first time.}, keywords = {alpha-Hydroxylation, Hydantoin, Natural product, Oxoaplysinopsin, Retro-aldol}, issn = {1434-193X}, doi = {10.1002/ejoc.202100184}, author = {Kulkarni, Akshay S. and Ramesh, Eagala and Reddy, D. Srinivasa} } @inbook {47815, title = {Online tools and antiviral databases for the development of drugs against coronaviruses}, booktitle = {In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols}, year = {2021}, pages = {717{\textendash}734}, publisher = {Springer US}, organization = {Springer US}, address = {New York, NY}, abstract = {The current crisis of coronavirus pandemic has created an urgent need for readily available scientific information to the researchers, students, professionals, and journalists. The scientific information for the research is costly, and most of the universities and research institutes cannot afford to subscribe to all the coronavirus-related journals/articles during this crisis time. In order to expedite the process of vaccine development and discovery of anti-COVID drugs, most of the pharmaceutical companies, research institutes and publishers are playing a key role and working on war footing to get either a vaccine or an anti-COVID drug as early as possible. The collective efforts are required from everyone in this testing time of the corona crisis. To provide our contribution to the scientific community, we have made here an attempt to give an overview of some of the tools and resources freely available that probably provide some insights in data mining and screening of novel lead molecules toward coronavirus. We have collected and compiled the information of open access online tools and antiviral databases essential for the discovery and development of corona vaccine and anti-COVID drugs. The open access tools include Open Educational Resources (OERs), Google cloud, online prediction server, web-based viewer, etc., while the antiviral databases include libraries of synthetic and untested compounds, antiviral drug databases, antiviral peptides, etc. The information presented in this chapter will help the researchers to use them directly in their projects of coronavirus drug discovery.}, isbn = {978-1-0716-1366-5}, doi = {10.1007/7653_2020_48}, url = {https://doi.org/10.1007/7653_2020_48}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman}, editor = {Roy, Kunal} } @article {47068, title = {Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol}, journal = {ACS Energy Letters}, volume = {6}, year = {2021}, month = {FEB }, pages = {509-516}, type = {Article}, abstract = {

The discovery of new materials for efficient transformation of carbon dioxide (CO2) into desired fuel can revolutionize large-scale renewable energy storage and mitigate environmental damage due to carbon emissions. In this work, we discovered an operando generated stable Ni-In kinetic phase that selectively converts CO2 to methanol (CTM) at low pressure compared to the state-of-the-art materials. The catalytic nature of a well-known methanation catalyst, nickel, has been tuned with the introduction of inactive indium, which enhances the CTM process. The remarkable change in the mechanistic pathways toward methanol production has been mapped by operando diffuse reflectance infrared Fourier transform spectroscopy analysis, corroborated by first-principles calculations. The ordered arrangement and pronounced electronegativity difference between metals are attributed to the complete shift in mechanism. The approach and findings of this work provide a unique advance toward the next-generation catalyst discovery for going beyond the state-of-the-art in CO2 reduction technologies.

}, issn = {2380-8195}, doi = {10.1021/acsenergylett.0c02614}, author = {Cherevotan, Arjun and Raj, Jithu and Dheer, Lakshay and Roy, Soumyabrata and Sarkar, Shreya and Das, Risov and Vinod, Chathakudath P. and Xu, Shaojun and Wells, Peter and Waghmare, V, Umesh and Peter, Sebastian C.} } @article {47742, title = {Organic-inorganic perovskitoid with zwitterion cysteamine linker and its crystal-crystal transformation to ruddlesden-popper phase}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {AUG }, pages = {18750-18760}, type = {Article}, abstract = {We demonstrate synthesis of a new low-D hybrid perovskitoid (a perovskite-like hybrid halide structure, yellow crystals, P21/n space group) using zwitterion cysteamine (2-aminoethanethiol) linker, and its remarkable molecular diffusion-controlled crystal-to-crystal transformation to Ruddlesden-Popper phase (Red crystals, Pnma space group). Our stable intermediate perovskitoid distinctly differs from all previous reports by way of a unique staggered arrangement of holes in the puckered 2D configuration with a face-sharing connection between the corrugated-1D double chains. The PL intensity for the yellow phase is 5 orders higher as compared to the red phase and the corresponding average lifetime is also fairly long (143 ns). First principles DFT calculations conform very well with the experimental band gap data. We demonstrate applicability of the new perovskitoid yellow phase as an excellent active layer in a self-powered photodetector and for selective detection of Ni2+ via On-Off-On photoluminescence (PL) based on its composite with few-layer black phosphorous.}, keywords = {Crystal growth, organic-inorganic hybrid composites, perovskite phases, photodetectors, zwitterions}, issn = {1433-7851}, doi = {10.1002/anie.202105918}, author = {Kour, Prachi and Reddy, Mallu Chenna and Pal, Shiv and Sidhik, Siraj and Das, Tisita and Pandey, Padmini and Mukherjee, Shatabdi Porel and Chakraborty, Sudip and Mohite, Aditya D. and Ogale, Satishchandra} } @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} } @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 {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 {47832, title = {Physicochemical and in vitro antibacterial evaluation of metronidazole loaded eudragit S-100 nanofibrous mats for the intestinal drug delivery}, journal = {Advanced Fiber Materials}, volume = {4}, year = {2021}, month = {AUG}, pages = {76-88}, type = {Article}, abstract = {

Metronidazole (MTZ) loaded Eudragit S-100 (ES-100) nonwoven nanofibrous mats were successfully electrospun and evaluated for intestinal drug delivery. MTZ was varied in the range of 1{\textendash}15\% (w/w) in ES-100 nanofibrous mats, the morphological characterization of nanofibrous mats was carried out using FE-SEM and the average diameter of nanofiber was found in the range 150{\textendash}600\ nm. WAXD and DSC demonstrated the amorphous nature of MTZ in ES-100 nanofibrous mats. Their contact angle analysis confirmed the hydrophobic nature. The mechanical strength of ES-100 nanofibrous mats decreased with increasing MTZ concentration. The drug release profiles showed 74\% MTZ release from ES-100d within 2\ h at pH 6.8 which is the colonic environment. Antibacterial activities against gram-positive bacteria (Staphylococcus aureus) and gram-negative bacteria (Escherichia coli) showed that the ES-100 nanofibrous mats loaded with MTZ exhibited good activity.

}, isbn = {2524-793X}, doi = {10.1007/s42765-021-00090-y}, author = {Rade, Priyanka P. and Giram, Prabhanjan S. and Shitole, Ajinkya A. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {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 {47606, title = {Priestia veravalensis sp. nov., isolated from coastal sample}, journal = {Archives of Microbiology}, volume = {203}, year = {2021}, month = {OCT}, pages = {4839-4845}, type = {Article}, abstract = {The taxonomic position of two isolates, SGD-V-76(T) and SGD-M-37, isolated from sediment sample of Veraval coast, India, was examined using the polyphasic taxonomic approach. The morphological and chemotaxonomic characteristics of these two organisms are typical of the genus Priestia. The phylogenetic analyses performed using almost complete 16S rRNA gene sequences demonstrated that the isolate belongs to the Bacillaceae family, and forms a clade within the cluster containing Priestia flexus MTCC 2909(T), Priestia aryabhattai B8W22(T) and Priestia megaterium KCTC 3007(T) and both strains showed highest similarity of > 98\% with 3-29 nucleotide differences. The cell wall contained meso-diaminopimelic acid as the diagnostic diamino acid. The predominant isoprenoid quinone was MK-7 and the G + C content of strains was 37.5-37.7 mol\%. However, the DNA-DNA hybridization and the phenotypic characteristics revealed that, the strain SGD-V-76(T) and strain SGD-M-37 are similar species but different from any known Priestia species with ANI values of 79.2, 79.3 and 79.2 and the dDDH values of 17.7, 17.8 and 18.0\% respectively. On the basis of phenotypic characteristics, phylogenetic analysis and the results of biochemical and physiological tests, and genomic data strain SGD-V-76(T) was clearly distinguished from closely related members of the Priestia genus. Based on the above data analysis strain SGD-V-76(T) (= DSM28242(T) = KCTC33802(T) = CIP111056(T) = NCIM5510(T)) represents a novel species of the genus Priestia, and we propose the name Priestia veravalensis sp. nov.}, keywords = {Coastal sediment, genome, Priestia, Veraval}, issn = {0302-8933}, doi = {10.1007/s00203-021-02418-z}, author = {Wagh, Vasudev S. and Ram, Hari and Dastager, Syed G.} } @article {47346, title = {Rapid and accurate nucleobase detection using FnCas9 and its application in COVID-19 diagnosis}, journal = {Biosensors \& Bioelectronics}, volume = {183}, year = {2021}, month = {JUL }, pages = {113207}, type = {Article}, abstract = {

Rapid detection of DNA/RNA pathogenic sequences or variants through point-of-care diagnostics is valuable for accelerated clinical prognosis, as witnessed during the recent COVID-19 outbreak. Traditional methods relying on qPCR or sequencing are tough to implement with limited resources, necessitating the development of accurate and robust alternative strategies. Here, we report FnCas9 Editor Linked Uniform Detection Assay (FELUDA) that utilizes a direct Cas9 based enzymatic readout for detecting nucleobase and nucleotide sequences without transcleavage of reporter molecules. We also demonstrate that FELUDA is 100\% accurate in detecting single nucleotide variants (SNVs), including heterozygous carriers, and present a simple web-tool JATAYU to aid end-users. FELUDA is semi-quantitative, can adapt to multiple signal detection platforms, and deploy for versatile applications such as molecular diagnosis during infectious disease outbreaks like COVID-19. Employing a lateral flow readout, FELUDA shows 100\% sensitivity and 97\% specificity across all ranges of viral loads in clinical samples within 1hr. In combination with RT-RPA and a smartphone application True Outcome Predicted via Strip Evaluation (TOPSE), we present a prototype for FELUDA for CoV-2 detection closer to home.

}, keywords = {CRISPRDx, FELUDA, FnCas9, LFA, SARS-CoV2, SNV detection}, issn = {0956-5663}, doi = {10.1016/j.bios.2021.113207}, author = {Azhar, Mohd and Phutela, Rhythm and Kumar, Manoj and Ansari, Asgar Hussain and Rauthan, Riya and Gulati, Sneha and Sharma, Namrata and Sinha, Dipanjali and Sharma, Saumya and Singh, Sunaina and Acharya, Sundaram and Sarkar, Sajal and Paul, Deepanjan and Kathpalia, Poorti and Aich, Meghali and Sehgal, Paras and Ranjan, Gyan and Bhoyar, Rahul C. and Singhal, Khushboo and Lad, Harsha and Patra, Pradeep Kumar and Makharia, Govind and Chandak, Giriraj Ratan and Pesala, Bala and Chakraborty, Debojyoti and Maiti, Souvik and Indian CoV2 Genomics Genetic Epide} } @article {47702, title = {Rationally designed, efficient, and earth-abundant Ni-Fe cocatalysts for solar hydrogen generation}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {OCT }, pages = {13915-13925}, type = {Article}, abstract = {Developing highly efficient and affordable catalysts for solar hydrogen (H-2) generation is crucial, and employing a cocatalyst from earth-abundant elements has a critical role to play. In this context, different compositions of earth-abundant Ni-Fe alloy (1:1, 1:3, and 3:1) have been prepared by hydrothermal method; subsequently, 1 wt \% of these Ni-Fe cocatalysts were integrated with TiO2-P25 and thoroughly characterized. The resultant catalysts have been evaluated for solar H-2 production, in powder and thin film forms, under one sun condition and in direct sunlight. Interestingly, all the catalysts in the thin film form exhibit superior hydrogen yield (HY), up to 27 times higher activity than its powder counterpart. Among the photocatalysts, Ni-Fe/TiO2 (3:1 = Ni/Fe; NFT31) composition exhibits the best HY in thin film (8.27 mmol.h(-1).g(-1)) and exceeds all other compositions of catalyst. It is also to be reported that HY measured for the powder form with 1 mg shows 3-17 times higher activity than that measured with 25 mg. This is mainly attributed to effective solar light absorption with a smaller amount of photocatalyst either spread over large area in a thin film form or well-dispersed in suspension forms. Furthermore, the enhanced activity obtained with Ni-Fe/TiO2 photocatalysts is also ascribed to strong electronic integration of Ni-Fe cocatalyst with TiO2 and higher performance obtained with a thin film is attributed to increased charge carrier generation and subsequent charge separation and effective utilization. A decrease in work function of TiO2 by 0.6 eV was observed after its integration with cocatalyst in NFT31.}, keywords = {Cocatalyst, Hydrogen, Ni-Fe alloy, solar energy, TiO2, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05158}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala Prabhakar and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {47637, title = {Reduction of hydroxyl traps and improved coupling for efficient and stable quantum dot solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {OCT }, pages = {46549-46557}, type = {Article}, abstract = {Progress in quantum dot (QD)-based solar cells has been underpinned by the improvements in surface passivation and advancements in device engineering. Acute control over the surface properties is crucial to restrict the formation of in-gap trap states and improve the QD coupling in achieving conducting QD films. In this report, we demonstrate a solution-phase hybrid passivation strategy, which is beneficial in removing detrimental hydroxyl traps and improving the coupling between QDs by reducing the interdot distance. Advancement in surface passivation is translated to the long carrier lifetime, higher carrier mobility, and superior protection toward degradations in QD solids. The performance of solar cell devices is increased by 26\% to reach an efficiency of 10.6\%, compared to the state-of-the-art lead halide passivated solar cells. The improvement in solar cell performance is supported by the reduction of trap states and an 80 nm increase in thickness of the light-absorbing QD layer.}, keywords = {ligand, mobility, quantum dot, solar cell, surface passivation}, issn = {1944-8244}, doi = {10.1021/acsami.1c11214}, author = {Mandal, Debranjan and Dambhare, V. Neha and Rath, Arup K.} } @article {47361, title = {Refining plant oils and sugars to platform chemicals, monomers, and polymers}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {MAY}, pages = {4255-4295}, type = {Review}, abstract = {

As fossil resources continue to dwindle and environmental concerns are magnified, finding sustainable alternatives is the only way to mitigate resource availability and derisk the planet. The principles of Green Chemistry may provide guidance in this case, and renewable resources can be converted into useful platform chemicals, monomers, and polymers. This critical review examines the possibility of utilizing renewable plant oils and sugars to produce feedstock chemicals, monomers, and polymers. Among the seven isomerizing functionalization reactions of plant oils, isomerizing alkoxycarbonylation displays the highest terminal selectivity. Despite the low reactivity of sugar-derived isohexides, new strategies have been deployed to convert isohexides into difunctional monomers and polymers. The commercialization of isohexides and a few polymers derived from these building blocks has just commenced. Thus, challenges associated with isomerizing functionalization of plant oils and the use of sugar-derived isohexides in chemical syntheses have been summarized, and the potential of these renewable resources has been evaluated.

}, issn = {1463-9262}, doi = {10.1039/d1gc00955a, Early Access Date = MAY 2021}, author = {Pandey, Swechchha and Rajput, Bhausaheb S. and Chikkali, Samir H.} } @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 {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 {47416, title = {Reusable magnetic nanocatalyst for bio-fuel additives: the ultrasound-assisted synthesis of solketal dagger}, journal = {Sustainable Energy \& Fuels }, volume = {5}, year = {2021}, month = {APR}, pages = {2362-2372}, type = {Article}, abstract = {

Acetalization of glycerol into solketal, a potential fuel additive, is a promising approach to utilizing the large waste-stream of glycerol from the biodiesel industry. Herein, we report an efficient ultrasound-assisted room temperature synthesis of solketal by acetalization of glycerol with acetone using an easily recoverable sulfonic acid-functionalized, silica-coated Fe3O4 magnetic nanoparticle (Fe3O4@SiO2@SO3H MNP, FSS MNP) catalyst. The morphology, chemical composition and magnetic properties of the catalyst were elucidated. The acetalization of glycerol was carried out under ultrasonication at room temperature, resulting in 97\% glycerol conversion after 15 minutes and 95\% isolated yield of solketal with 100\% selectivity for this acetal. The facile magnetic retrievability of the catalyst imparted operational simplicity to the solketal synthetic protocol, avoiding complicated catalyst separation and product purification processes. The FSS catalyst was magnetically recycled for up to five catalytic experiments, maintaining a glycerol conversion of 95\% and without deterioration in its selectivity, composition, morphology or magnetic properties, thereby ameliorating the green aspects of the protocol.

}, issn = {2398-4902}, doi = {10.1039/d0se01900c, Early Access Date = MAR 2021}, author = {Rajkumari, Kalyani and Changmai, Bishwajit and Meher, Ananta Kumar and Vanlalveni, Chhangte and Sudarsanam, Putla and Wheatley, Andrew E. H. and Rokhum, Samuel Lalthazuala} } @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 {47783, title = {Rise of the superbugs: what we need to know overview of antimicrobial resistance}, journal = {Resonance}, volume = {26}, year = {2021}, month = {SEP}, pages = {1251 - 1266}, type = {Article}, abstract = {Bacteria often cause infections, and we take antibiotics to help us recover. Antibiotics are like magic pills that have saved millions of lives. However, the overuse of antibiotics is now making bacteria evolve fast and evade these antibiotics. A few bacteria like the purple one in the petri plate (Figure 1) have evolved a way to dodge and not get killed by one particular kind of antibiotic. The day might come soon when not a single antibiotic would work, and we could die of even tiny paper cuts. In this article, we discuss what antibiotics are, how they target bacteria, and why bacteria are suddenly becoming resistant to antibiotics. We include a list of ten points that each of us must follow and a pledge for everyone to take, to help stop the spread of antibiotic resistance. A small questionnaire is included that we would like you all to answer. Together we can win the battle against antibiotic resistance.}, isbn = {0973-712X}, doi = {10.1007/s12045-021-1227-8}, url = {https://doi.org/10.1007/s12045-021-1227-8}, author = {Sengupta, Durba and Raghunathan, Anu} } @article {47395, title = {Role of charge compensation mechanism and defect dipoles on properties of Mn doped BCT ceramics}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {APR}, pages = {11491-11505}, type = {Article}, abstract = {

Single-phase Mn doped Barium Calcium Titanate (BCT) (Ba0.80Ca0.20Ti1-xMnxO3; x = 0.000, 0.005, 0.010, 0.015 and 0.020) lead free ceramics have been prepared by conventional solid-state reaction method. XRD studies and Rietveld refinement confirmed the existence of tetragonal phase (P4mm) for all prepared ceramic compositions. The average grain size increased up to x = 0.005 and thereafter it decreased with increase in Mn content in BCT compositions. Analysis of temperature-dependent dielectric study revealed phase transformation from tetragonal to cubic phase and defect dipole induced anomaly in paraelectric region of temperature-dependent dielectric constant ( epsilon{\textquoteright}-T) curve. Degree of diffusiveness increased with Mn doping in BCT ceramics as confirmed by evaluating diffused phase transition (DPT) parameters (gamma and delta(c)) by Power Law fitting and width of diffused phase transition (D{\textquoteright}) obtained from derivative of epsilon{\textquoteright}-T curve. Ferroelectric (P-E loops) study revealed that ceramic composition with x = 0.015 Mn content showed the highest remnant polarization (P-r) and maximum polarization (P-max) of 14.10 mu C/cm(2) and 24.20 mu C/cm(2) respectively. Enhancement in energy storage properties with applied electric fields have been observed at room temperature. Maximum energy storage density W-rec similar to 190.89 mJ/cm(3) with an efficiency of 48.63\% has been obtained for x = 0.015. A large piezoelectric charge coefficient (d(33)) of 460 pC/N has been obtained for x = 0.020. The room temperature magnetic measurements shows feeble ferromagnetism for Mn doped samples. These studies suggest the application of these ceramics for multilayer ceramic capacitors, energy storage, and high power applications..

}, keywords = {Defect dipoles, Dielectric anomaly, Energy storage, Ferroelectric materials, ferromagnetic materials, Lead-free ceramics, Mn doped BCT, piezoelectric, Williamson-Hall (W-H)}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2020.12.277}, author = {Redhu, Preeti and Sharma, Preeti and Hooda, Ashima and Singh, Anupinder and Sharma, Geeta and Punia, Rajesh} } @article {47641, title = {Role of preparation parameters of Cu-Zn mixed oxide catalyst in solvent free glycerol carbonylation with urea}, journal = {Journal of the Indian Chemical Society}, volume = {98}, year = {2021}, month = {JUL}, pages = {100090}, type = {Article}, abstract = {Solvent-free carbonylation of glycerol with urea to glycerol carbonate (GC) was achieved over heterogeneous Cu-Zn mixed oxide catalyst. Cu-Zn catalysts with different ratios of Cu:Zn were prepared using co-precipitation (CP) and oxalate gel (OG) methods. As compared to CuO-ZnO(2:1) catalyst prepared by oxalate gel (OG) method, much higher conversion of glycerol and highest selectivity towards glycerol carbonate (GC) was achieved with CuO-ZnO_CP(2:1) catalyst. Physicochemical properties of prepared catalysts were investigated by using XRD, FT-IR, BET, TPD of CO2 and NH3 and TEM techniques. The effect of stoichiometric ratio of Cu/Zn, calcination temperature of CuO-ZnO catalysts and effect of reaction parameters such as molar ratio of substrates, time and temperature on glycerol conversion to GC were critically studied. Cu/Zn of 2:1 ratio, glycerol-urea 1:1 molar ratio, 145 degrees C reaction temperatures were found to be optimized reaction conditions to achieve highest glycerol conversion of 86\% and complete selectivity towards GC. The continuous expel of NH 3 from reaction the mixture avoided formation of ammonia complex with CuO-ZnO catalyst. As a result of this, CuO-ZnO catalyst could be recycled up to three times without losing its initial activity.}, keywords = {Co-precipitation (CP), Glycerol, Glycerol carbonate, Oxalate gel (OG)}, issn = {0019-4522}, doi = {10.1016/j.jics.2021.100090}, author = {Charate, Shrinivas and Shinde, Suhas and Kondawar, Sharda and Desai, Uday and Wadgaonkar, Prakash and Rode, Chandrashekhar} } @article {47047, title = {Ru-catalyzed asymmetric transfer hydrogenation of alpha-acyl butyrolactone via dynamic kinetic resolution: asymmetric synthesis of bis-THF alcohol intermediate of darunavir}, journal = {Tetrahedron Letters}, volume = {66}, year = {2021}, month = {MAR }, pages = {152831}, type = {Article}, abstract = {

The Ru-catalyzed enantio- and diastereoselective dynamic kinetic resolution of alpha-(benzyloxy/benzoyloxy)acyl-gamma-butyrolactones has been examined via transfer hydrogenation. Employing the in situ prepared (R,R)-Ru-FsDPEN catalyst, the transfer hydrogenation of using formic acid/triethylamine at rt gave the corresponding (S)-3-((S)-2-(benzyloxy/benzoyloxy)-1-hydroxyethyl)dihydrofuran-2(3H)-on e with good to excellent diastereo- and enantioselectivity. One of the resulting hydrogenation product prepared on gram scales was utilized for the synthesis of (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol (1), a key synthetic intermediate of various HIV protease inhibitors such as darunavir with excellent enantio-(95\% ee) and diastereoselectivities (dr 95:5). (C) 2021 Elsevier Ltd. All rights reserved.

}, keywords = {Bis-THF-OH intermediate, Darunavir, Dynamic kinetic resolution, Ru-catalysis, transfer hydrogenation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2021.152831}, author = {More, V. Ganesh and Malekar, V. Pushpa and Kalshetti, Rupali G. and Shinde, Mahesh H. and Ramana, V. Chepuri} } @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 {47423, title = {Scalable, sustainable and catalyst-free continuous flow ozonolysis of fatty acids}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {MAR}, pages = {2391-2396}, type = {Article}, abstract = {

A simple and efficient catalyst-free protocol for continuous flow synthesis of azelaic acid is developed from the renewable feedstock oleic acid. An ozone and oxygen mixture was used as the reagent for oxidative cleavage of double bond without using any metal catalyst or terminal oxidant. The target product was scaled up to more than 100 g with 86\% yield in a white powder form. Complete recycling and reuse of the solvent were established making it a green method. The approach is significantly energy efficient and also has a very small chemical footprint. The methodology has been successfully tested with four fatty acids making it a versatile platform that gives value addition from renewable resources.

}, issn = {1463-9262}, doi = {10.1039/d0gc04021e}, author = {Atapalkar, Ranjit S. and Athawale, Paresh R. and Reddy, D. Srinivasa and Kulkarni, Amol A.} } @article {47674, title = {Seed-mediated growth of Pt on high-index faceted Au nanocrystals: the ag lining and implications for electrocatalysis}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP }, pages = {9155-9166}, type = {Article}, abstract = {Bimetallic Au@Pt nanocrystals (NCs) offer a unique combination of plasmonic and catalytic properties and are a growing field of research. Herein, we report an unusual observation in the behavior of silver ions (Ag+) which was found to play a dominant role in dictating the Pt deposition in a seed-mediated growth method. {\textquoteleft}While the literature is replete with various instances of Ag-assisted Pt deposition whereby higher concentration of Ag+ translates into a thicker Pt shell, in the present study, contradictory observations were made. In the presence of lower amounts of Ag+, thick Pt shells were visualized, while at higher concentrations of Ag+, the extent of Pt deposition via the galvanic replacement reaction was reduced. Additionally, the presence of Ag was deemed necessary for the Pt deposition to take place, either in the form of an underpotential deposition layer on the Au NCs or by introducing Ag+ in the growth solution. We have demonstrated our findings on two different Au NCs enclosed with high-index facets, concave cuboid, and elongated tetrahexahedra, which mirror similar observations and provide generality to our claim. To the best of our knowledge, the time required for Pt deposition on the Au core in the present work is the least among the reported seed-mediated routes. Furthermore, this work, besides presenting a facile and general route for the amalgamation of catalytic and plasmonic properties in hybrid Pt-Au NCs, sheds light on the mechanistic aspects of Ag-assisted wet-chemical generation of bimetallic Au@Pt NCs. The overall electrocatalytic performance of our Au@Pt NCs toward the oxygen reduction reaction was realized to be impressive.}, keywords = {bimetallic nanostructure, galvanic replacement reaction, high-index facet, oxygen reduction reaction, seed-mediated growth, underpotential deposition}, doi = {10.1021/acsanm.1c01714}, author = {Roy, Debashree and Rajendra, Ranguwar and Gangadharan, Pranav K. and Pandikassala, Ajmal and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {47691, title = {Separation of a diastereomeric diol pair using the mechanical properties of crystals}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT}, pages = {7056-7060}, type = {Article}, abstract = {We report the separation of a (2S,3R/S)-3-ethyl-1-phenylhex-5-ene-2,3-diol (ephd) diastereomeric pair with visually indistinguishable acicular morphologies based on their mechanical responses, which is found to be more efficient than conventional separation methods. Furthermore, the molecular crystals of (2S,3R)-ephd show elastic deformation, while (2S,3S)-ephd fractures in a brittle manner under similar conditions.}, doi = {10.1039/d1ce01055g}, author = {Gamidi, Rama Krishna and Dandawate, Monica and Choudhury, Rahul and Tothadi, Srinu and Nangia, Ashwini and Reddy, D. Srinivasa} } @article {47580, title = {Single-pot alcoholysis of furfuryl alcohol to alkyl levulinates using heterogenized p-TSA catalyst**}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {JUL }, pages = {6636-6643}, type = {Article}, abstract = {Synthesis of levulinate esters which are known to be excellent sustainable fuel additives, was achieved by alcoholysis of furfuryl alcohol over strong solid acid catalyst, prepared by copolymerization of p-toluenesulfonic acid with paraformaldehyde. Our catalyst possessed Bronsted acidity (3 mmol/g) with an excellent stability up to 220 degrees C. XPS, FT-IR and Pyridine-IR along with microanalysis studies confirmed the presence of terminal -SO3H functional groups responsible for Bronsted acidity in the catalyst. The catalyst was found to efficiently catalyze the alcoholysis of furfuryl alcohol to give alkyl levulinates under mild reaction conditions. The complete conversion of furfuryl alcohol with 96 \% and 97 \% selectivities to ethyl and butyl levulinates could be achieved using ethanol and butanol, respectively. Detailed study on effect of various reaction parameters like catalyst loading, reaction time and reaction temperature on conversion and product distribution was also carried out for the ethanolysis of furfuryl alcohol to ethyl levulinate. The catalyst could be easily recovered and recycled for five times successfully, with no loss in its original activity.}, keywords = {Biomass, ethyl levulinate, Fuel additive, Furfuryl alcohol, heterogeneous catalysis}, issn = {2365-6549}, doi = {10.1002/slct.202101392}, author = {Patil, Chetana R. and Kamble, Sanjay P. and Rode, Chandrashekhar V.} } @article {47377, title = {Solvent free, environment benign synthesis of 1,4-dihydropyridines and polyhydroquinolines by using heterogeneous Zn/MCM-41 catalyst}, journal = {Research on Chemical Intermediates}, volume = {47}, year = {2021}, month = {AUG}, pages = {3263-3287}, type = {Article}, abstract = {

Heterogeneous catalysis has been utilized in number of efficient reactions with higher selectivity of the product, more stable, reusable and easy for separation as compared to homogeneous catalysts. Generally, heterogeneous catalysts are prepared by using mesoporous materials, microporous materials, metal oxides and metal organic framework. The mesoporous materials have small particle size and high surface area as compared to the microporous materials. The adsorbent mesoporous materials have highly efficient for the therapeutic applications in chemistry hence it has best as compared to other heterogeneous materials. Herein, we have reported synthesis of 1,4-dihydropyridines and polyhydroquinolines at solvent free and environmental benign condition in the presence of Zn/MCM-41 catalyst. The present protocol gives excellent yield (89-96\%) of the product within short reaction time by easy work up procedure and no need of further purification of product. The catalyst was characterized by XRD diffractometer, SEM, EDAX, TGA-DTA, BET surface area analysis and FT-IR Spectroscopy. The synthesized organic compounds were characterized by FT-IR, H-1 NMR, C-13 NMR, LC-MS spectrometry.

}, keywords = {High activity, High selectivity, mesoporous materials, microporous materials, Reusability of catalyst}, issn = {0922-6168}, doi = {10.1007/s11164-021-04473-z, Early Access Date = APR 2021}, author = {Dhengale, Shankar D. and Naik, Vaibhav M. and Kolekar, Govind B. and Rode, Chandrashekhar V. and Anbhule, Prashant V.} } @article {47442, title = {Spatio-temporal resolution of taxonomic and functional microbiome of Lonar soda lake of India reveals metabolic potential for bioremediation}, journal = {Chemosphere}, volume = {264}, year = {2021}, month = {FEB}, pages = {128574}, type = {Article}, abstract = {

Lonar Lake, India; a hypersaline and hyperalkaline extremophilic ecosystem having a unique microbial population has been rarely explored for bioremediation aspects. MinION-based shotgun sequencing was used to comprehensively compare the microbial diversity and functional potential of xenobiotic degradation pathways with seasonal changes. Proteobacteria and Firmicutes were prevalent bacterial phyla in the pre-monsoon and post-monsoon samples. Functional analysis from SEED-subsystem and KEGG database revealed 28 subsystems and 18 metabolic pathways for the metabolism of aromatic compounds and xenobiotic biodegradation respectively. Occurrence of N-phenyl alkanoic, benzoate, biphenyl, chloroaromatic, naphthalene, and phenol degradation genes depicted varied abundance in the pre-monsoon and post-monsoon samples. Further, KEGG analysis indicated nitrotoluene degradation pathway (ko00633) abundant in post-monsoon samples, and the benzoate degradation pathway (ko00362) predominant in 19LN4S (pre-monsoon) than 18LN7S (post-monsoon) samples. The abundant genes for benzoate degradation were pcaI: 3-oxoadipate CoA-transferase, alpha subunit, pcaH: protocatechuate 3,4-dioxygenase, beta subunit, and pcaB: 3-carboxy-cis, cis-muconate cycloisomerase, and 4-oxalocrotonate tautomerase. This metagenomic study provides a unique blueprint of hitherto unexplored xenobiotic biodegradation genes/pathways in terms of seasonal variations in the Lonar Lake, and warrants active exploitation of microbes for bioremediation purposes.

}, doi = {10.1016/j.chemosphere.2020.128574}, author = {Chakraborty, Jaya and Rajput, Vinay and Sapkale, Vibhavari and Kamble, Sanjay and Dharne, Mahesh} } @article {47785, title = {Structural and computational investigation of an imine-based propeller-shaped macrocyclic cage}, journal = {SN Applied Sciences}, volume = {3}, year = {2021}, month = {FEB}, type = {Article}, abstract = {In this study, we present the synthesis, spectroscopic and structural characterization of self-assembling gem-dimethyl imine based molecular cage (IMC). Self-assembling macrocycles and cages have well-defined cavities and have extensive functionalities ranging from energy storage, liquid crystals, and catalysts to water splitting photo absorber. IMC has large voids i.e., 25\% of the total crystal volume thus could accommodate wide substrates. The synthesized imine-based molecular cages are stabilized by coaxial π bonded networks and long-range periodic van der Waal and non-bonded contacts as observed from the crystal structure. IMC also has typical properties of soft condensed matter materials, hence theoretical prediction of stress and strain tensor along with thermophysical properties were computed on crystal system and were found to be stable. Molecular dynamics revealed IMC is stabilized by, strong interactions between the interstitial phenyl rings. Density functional theory (DFT) based physicochemical properties were evaluated and has band gap of around 2.38ev (520 nm) similar to various photocatalytic band gap materials.}, doi = {10.1007/s42452-021-04255-7}, author = {Madhu, Suresh and Raghavan, Sriram} } @article {47729, title = {Structure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production}, journal = {ChemSusChem}, volume = {14}, year = {2021}, month = {AUG }, pages = {3074-3083}, type = {Article}, abstract = {A facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.}, keywords = {charge transfer, electrocatalysis, hydrogen evolution reaction, Nanomaterials, ternary chalcogenides}, issn = {1864-5631}, doi = {10.1002/cssc.202100967}, author = {Sarkar, Shreya and Rawat, Abhishek and Das, Tisita and Gaboardi, Mattia and Chakraborty, Sudip and Vinod, C. P. and Peter, Sebastian C.} } @article {47753, title = {Supported MoOx and WOx solid acids for biomass valorization: interplay of coordination chemistry, acidity, and catalysis}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {13603-13648}, type = {Article}, abstract = {Supported molybdenum oxide (MoOx) and tungsten oxide (WOx) materials are a vital class of solid acid catalysts for the chemical industry because of their nontoxic nature, strong acidity, remarkable stability in water, hydrogen, and oxygen atmospheres, and excellent reusability performance. These fascinating solid acids play a pivotal role in developing sustainable catalytic routes for renewable biomass processing to produce value-added fuels, chemicals, and platform molecules. The coordination chemistry of MoOx and WOx on the support materials (oxides, carbons, or zeolites) controls their acidic strength, active site accessibility, and catalytic activity. Hence, significant efforts have been made toward optimizing the conditions used for catalyst synthesis and biomass processing to tune the coordination chemistry of MoOx and WOx with the substrate molecules and, thus, their acid-activity/selectivity performance. This Review provides a comprehensive overview of supported MoOx and WOx solid acids for biomass valorization. The importance of the biomass and the role of solid acids for biomass valorization were emphasized, followed by a brief discussion of supported MoOx and WO(x )solid acids. Afterward, the interplay of coordination chemistry, acidic strength, and catalytic activity of supported MoOx and WOx solid acids was discussed. Finally, their catalytic applications for the valorization of several biomass substrates and their derivatives were summarized. This Review will provide valuable insights for developing advanced supported WOx and MoOx solid acids for catalytic biomass valorization and other challenging acid-catalyzed processes.}, keywords = {Acidity, biomass valorization, catalysis, Coordination chemistry, molybdenum oxide, tungsten oxide}, issn = {2155-5435}, doi = {10.1021/acscatal.1c03326}, author = {Sudarsanam, Putla and Gupta, Navneet Kumar and Mallesham, Baithy and Singh, Nittan and Kalbande, Pavan Narayan and Reddy, Benjaram M. and Sels, Bert F.} } @article {47740, title = {Synergistic electronic coupling/cross-talk between the isolated metal halide units of zero dimensional heterometallic (Sb, Mn) halide hybrid with enhanced emission}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2021}, month = {DEC }, pages = {360-370}, type = {Article}, abstract = {Heterometallic 0D metal halide hybrids, consisting of more than one kind of metal halide units, are anticipated to manifest synergistic effects on the photo-physical properties of the constituent metal halide units. Such architectures hold great promise for design and development of function-targeted materials. However, heterometallic 0D hybrids, featuring isolated metal halide units, typically do not show any synergistic effects due to large inter-unit spatial separations that inhibit interactions/coupling between the constituent metal halide units. It remains challenging to design synthetic strategies that would support structural modifications to allow synergistic electronic coupling between the metal halide units in heterometallic 0D hybrids. Here, we report synthesis and characterization of heterometallic (Sb, Mn) 0D hybrid, namely Tris SbMnCl, with isolated MnCl5 units, (Sb/Mn)Cl-6 units, dispersed in the organic ligand matrix and layer of dynamic and networked water molecules. Steady state and time resolved emission spectra (TRES) analysis suggests strong synergistic interaction between the isolated metal halide units. Efficient energy transfer from the strongly absorbing Sb centres to emissive Mn centres results in the observed enhanced emission. Proton conductivity measurements together with first-principles calculations suggest the unique role of the networked water molecules in mediating the electronic coupling/energy transfer between the separated metal halide units in Tris SbMnCl hybrid. This report highlights the role of structure/composition of the synthesized heterometallic 0D hybrid in attaining electronic dimensionality higher than 0D through synergistic electronic interaction between the isolated metal halide units.}, issn = {2050-7526}, doi = {10.1039/d1tc04704c}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Das, Deep K. and Sam, Jisvin and Mali, Bhupendra P. and Biswas, Chinmoy and Maana, Narugopal and Thomson, Stuart and Raavi, Sai Santosh Kumar and Kurungot, Sreekumar and Gonnade, Rajesh G. and Dutta, Sudipta and Kundu, Janardan} } @article {47699, title = {Synthesis and biological evaluation of hoshionolactam-based compounds}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {APR }, pages = {2212-2218}, type = {Article}, abstract = {In search of novel antitrypanosomal agents based on hoshinolactam (IC50=3.9 nM), we disclose the synthesis and biological evaluations of 14 different analogues of the natural product using combinations of different acids and lactams. Antitrypanosomal activity assays revealed that the synthesized analogues were less potent than the parent natural product.}, keywords = {Hoshinolactam, Ozonolysis, Parasitic diseases, Trypanosoma}, issn = {1434-193X}, doi = {10.1002/ejoc.202001588}, author = {Jachak, Gorakhnath R. and Elizebath, Drishya and Shukla, Anurag and Shanmugam, Dhanasekaran and Reddy, D. Srinivasa} } @article {47723, title = {Synthesis, crystal structures, dielectric and magnetic properties of manganese sulfonyldibenzoates}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT }, pages = {6703-6723}, type = {Article}, abstract = {{A systematic investigation of the system manganese(II) salt-H(2)SBA-auxiliary ligand-solvent successfully led to the isolation of six new multidimensional coordination polymers: [Mn-5(2-pic)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (1), [Mn-3(pyzc)(2)(DMF)(H2O)(SBA)(2)]center dot DMF center dot H2O (2), [Mn-5(pyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (3), [Mn-5(mpyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (4), [Mn-2(phen)(2)(H2O)(SBA)(2)]center dot 2DMA (5) and [Mn-3(phen)(2)(SBA)(3)]center dot 5DMF (6), where SBA = 4,4{\textquoteright}-sulfonyldibenzoate 2-pic = 2-picolinate}, doi = {10.1039/d1ce00810b}, author = {Balendra and Singh, Bharti and Banday, Azeem and Tewari, Shailabh and Kumar, Vineet and Murugavel, Sevi and Joy, P. A. and Ramanan, Arunachalam} } @article {47657, title = {Synthesis of anisotropic rod-like gold nanostructures in organic media (vol 133, 106, 2021)}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {120}, type = {Correction}, issn = {0974-3626}, doi = {10.1007/s12039-021-01992-5}, author = {Prasad, V. Bhagavatula L. and Sivasankaran, Prathap Chandran and Patel, Pitambar and Malekar, V. Pushpa and Maya, V. K. and Ramana, V. Chepuri} } @article {47316, title = {Synthesis of gold and silver nanoparticles using Phlogacanthus Thyrsiformis extracts-its phytochemical screening and anti-oxidant studies}, journal = {Materials Today-Proceedings}, volume = {43}, year = {2021}, month = {JAN}, pages = {2805-2809}, type = {Proceedings Paper}, abstract = {

Phlogacanthus Thyrsiformis is a shrub belonging to the Acanthaceae family, normally found in the northeastern parts of India, Nepal, Burma, Indo-Chinese region and Indonesia. It is used as a cure for diarrhoea, dysentery, cholera, burns, boils, high blood pressure, sprains and body pains. Silver and gold nanoparticles were synthesized from the extracts of the leaves of this plant as the some biomolecules, known as secondary metabolites, present in plant extracts can be used to reduce metal ions to nanoparticles. The contents of the leaves were extracted in various solvents and the tests for the presence of secondary metabolites were carried out. The gold and silver nanoparticles synthesized using the plant extracts and characterized using TEM, SEM techniques and the phytochemical screening tests were done for different extracts. The anti-oxidant studies of the several extracts were carried out. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Anti-oxidant studies, Nanoparticles, Phligacanthus thyrsiformis, Phytochemical Studies, Secondary metabolites}, issn = {2214-7853}, doi = {10.1016/j.matpr.2020.08.798}, author = {Singh, Avinash Thounaojam and Shaikh, Iqbal N. and Rale, Madhura Vijay} } @article {47672, title = {Total synthesis of a hypothetical macroketone of migrastatin}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {JUN }, pages = {3050-3053}, type = {Article}, abstract = {Danishefsky{\textquoteright}s macroketone, a simplified analogue of natural product Migrastatin, is one of the lead compounds with potent cancer cell migration inhibition potential. Different biological assays suggest fascin protein as the potential target. Although it was indicated through X-ray co-crystallography where the concerned macroketone analogue was found to bind in the actin-binding sites of fascin, there was a structural discrepancy, as the X-ray co-crystal structure suggested an E-olefin along with inversion of methyl stereochemistry from that of Danishefsky{\textquoteright}s macroketone. Here, we have accomplished the total synthesis of the {\textquoteleft}hypothetical macroketone{\textquoteright} for the first time. The TiCl4 mediated vinylogous Mukaiyama aldol reaction is the key step in present synthesis.}, keywords = {Hypothetical mecroketon, Metastasis, Migrastatin, RCM, vinylogous Mukaiyama aldol reaction (VMAR)}, issn = {1434-193X}, doi = {10.1002/ejoc.202100484}, author = {Choudhury, Rahul and Reddy, D. Srinivasa} } @article {47705, title = {Total synthesis of the pseudoindoxyl class of natural products}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {OCT}, pages = {7970-7994}, type = {Review}, abstract = {The pseudoindoxyl sub-structural motif, amongst the large set of the indole class of alkaloids, represents a unique subset of the oxygenated indole class of the alkaloid family. A majority of this class of natural products contains complex bridged/polycyclic scaffolds with interesting biological profiles. They are thus attractive synthetic targets. Starting from 1963, twenty-eight natural products having the pseudoindoxyl scaffold have been isolated, among which the synthesis of 13 natural products has been accomplished. In this review, we highlight the completed as well as the formal total synthesis of the natural products with a spiro-pseudoindoxyl ring, with a focus on their development. The challenges and the future perspective based on the recent developments in the field will also be discussed. We strongly believe that this review will not only update but also attract the attention of researchers in dealing with the synthesis of pseudoindoxyl compounds.}, issn = {1477-0520}, doi = {10.1039/d1ob01285a}, author = {Dhote, Pawan S. and Patel, Pitambar and Vanka, Kumar and Ramana, Chepuri V.} } @article {47402, title = {Total synthesis of twelve membered resorcyclic acid lactones, (R)-penicimenolide A, (R)-resorcyclide and (R)-dihydroresorcyclide}, journal = {Tetrahedron}, volume = {85}, year = {2021}, month = {APR}, pages = {132059}, type = {Article}, abstract = {

Resorcyclic Acid Lactones or RALs are a class of fungal secondary polyketides isolated from a variety of fungal strains like Lasiodiplodia theobromae, Penicillium sp., Syncephalastrum racemosum etc. This class of macrocyclic lactones are found to exhibit a broad spectrum of biological activities and are of significant synthetic importance. Herein, we report the first total synthesis of (R)-penicimenolide A, twelve membered RAL (RAL12) isolated from Penicillium sp. (NO. SYP-F-7919). Besides, we also report the total synthesis of two other members, namely, (R)-trans-resorcyclide and (R)-dihydroresorcyclide. In the course of synthesis, we have utilized ring closing metathesis (RCM) as the key step in constructing the core macrolactone scaffold. (C) 2021 Elsevier Ltd. All rights reserved.

}, keywords = {Macrocycle, Natural product, organic synthesis, Total synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2021.132059}, author = {Das, Pronay and Reddy, D. Srinivasa} } @article {47683, title = {Tuning of alpha-silyl carbocation reactivity into enone transposition: application to the synthesis of peribysin D, E-volkendousin, and E-guggulsterone}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {SEP }, pages = {6642-6647}, type = {Article}, abstract = {A reliable method for enone transposition has been developed with the help of silyl group masking. Enantio-switching, substituent shuffling, and Z-selectivity are the highlights of the method. The developed method was applied for the first total synthesis of peribysin D along with its structural revision. Formal synthesis of E-guggulsterone and E-volkendousin was also claimed using a short sequence.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c02173}, author = {Athawale, Paresh R. and Zade, Vishal M. and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @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 {47365, title = {Unified approach for the total aynthesis of Bis-THF C-15 acetogenins: a chloroenyne from laurencia majuscula, laurendecumenyne B and laurefurenynes A/B}, journal = {Synthesis-Stuttgart}, year = {2021}, month = {MAY}, type = {Article; Early Access}, abstract = {

A highly diastereoselective total synthesis of several bis-THF C-15 acetogenin natural products, chloroenyne from Laurencia majuscula, laurendecumenyne B, and laurefurenyries A/B, is reported. Additionally the synthesis of an advanced intermediate reported in the earlier total synthesis of (E/Z)-elatenynes (formal synthesis) is described. The salient features in the synthesis include epoxide opening, Birch reduction, Sharpless asymmetric dihydroxylation-cycloetherification, S(N)2 halogenation, and a relay cross metathesis.

}, keywords = {bis-THF C-15 acetogenins, carbohydrate building block, relay-cross-metathesis, S(N)2 halogenation, Sharpless asymmetric dihydroxylation-cycloetherification}, issn = {0039-7881}, doi = {10.1055/a-1500-1407, Early Access Date = MAY 2021}, author = {Senapati, Sibadatta and Unmesh, Nivedya A. and Shet, Manoj N. and Ahmad, Iram and Ajikumar, Nandu and Ramana, Chepuri V.} } @article {47614, title = {Unified approach for the total synthesis of Bis-THF C-15 acetogenins: a chloroenyne from laurencia majuscula, laurendecumenyne B and laurefurenynes A/B}, journal = {Synthesis-Stuttgart}, volume = {53}, year = {2021}, month = {AUG }, pages = {2903-2910}, type = {Article}, abstract = {A highly diastereoselective total synthesis of several bis-THF C-15 acetogenin natural products, chloroenyne from Laurencia majuscula, laurendecumenyne B, and laurefurenyries A/B, is reported. Additionally the synthesis of an advanced intermediate reported in the earlier total synthesis of (E/Z)-elatenynes (formal synthesis) is described. The salient features in the synthesis include epoxide opening, Birch reduction, Sharpless asymmetric dihydroxylation-cycloetherification, S(N)2 halogenation, and a relay cross metathesis.}, keywords = {bis-THF C-15 acetogenins, carbohydrate building block, relay-cross-metathesis, S(N)2 halogenation, Sharpless asymmetric dihydroxylation-cycloetherification}, issn = {0039-7881}, doi = {10.1055/a-1500-1407}, author = {Senapati, Sibadatta and Unmesh, Nivedya A. and Shet, Manoj N. and Ahmad, Iram and Ajikumar, Nandu and Ramana, Chepuri V.} } @article {47105, title = {Unveiling the roles of lattice strain and descriptor species on pt-like oxygen reduction activity in Pd-Bi catalysts}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {JAN}, pages = {800-808}, type = {Article}, abstract = {

A facile non-template-assisted mechanical ball milling technique was employed to generate a PdBi alloy catalyst. The induced lattice strain upon the milling time caused a shift of the d-band center, thereby enhancing the oxygen reduction reaction (ORR) catalytic activity. Additionally, the Pd-O reduction potential and adsorbed OH coverage used as descriptors stipulated the cause of the enhanced ORR activity upon the increased milling interval. Redox properties of surface Pd are directly correlated with a positive shift in the Pd-O reduction potential and OH surface coverage. Hence, by deconvoluting the lattice strain and the role of the descriptor species we achieved a catalyst system with a specific activity 5.4X higher than that of commercial Pt/C, as well as an improved durability. The experimental observation is well-corroborated by a theoretical simulation done by inducing strain to the system externally.

}, keywords = {charge-transfer, electrocatalysis, fuel cell, Lattice strain, oxygen reduction, Pt-like activity}, issn = {2155-5435}, doi = {10.1021/acscatal.0c03415}, author = {Sarkar, Shreya and Ramarao, S. D. and Das, Tisita and Das, Risov and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {47713, title = {On the use of electronegativity and electron affinity based pseudo-molecular field descriptors in developing correlations for quantitative structure-activity relationship modeling of drug activities}, journal = {Chemical Biology \& Drug Design}, volume = {98}, year = {2021}, month = {AUG}, pages = {258-269}, type = {Article}, abstract = {For quantitative structure-activity relationship (QSAR) modeling in ligand-based drug discovery programs, pseudo-molecular field (PMF) descriptors using intrinsic atomic properties, namely, electronegativity and electron affinity are studied. In combination with partial least squares analysis and Procrustes transformation, these PMF descriptors were employed successfully to develop correlations that predict the activities of target protein inhibitors involved in various diseases (cancer, neurodegenerative disorders, HIV, and malaria). The results show that the present QSAR approach is competitive to existing QSAR models. In order to demonstrate the use of this algorithm, we present results of screening naturally occurring molecules with unknown bioactivities. The pIC(50) predictions can screen molecules that have desirable activity before assessment by docking studies.}, keywords = {drug discovery, electron affinity, Electronegativity, molecular field descriptors, partial least squares, QSAR}, issn = {1747-0277}, doi = {10.1111/cbdd.13895}, author = {Kunde, Pushkar D. and Ramkumar, Sudha and Kamble, Sanjay P. and RaviKumar, Ameeta and Kulkarni, Bhaskar D. and Kumar, V. Ravi} } @article {47076, title = {Utilizing the oxygen carrier property of cerium iron oxide for the low-temperature synthesis of 1,3-butadiene from 1-butene}, journal = {Catalysis Letters}, volume = {151}, year = {2021}, month = {OCT}, pages = {3057-3066}, type = {Article}, abstract = {

Low-temperature oxidative dehydrogenation (ODH) of 1-butene to 1,3-butadiene is one of the challenging reactions in the polymer industry. Towards this a highly dispersed cerium iron oxide was synthesized by citrate gel combustion method and employed for the synthesis of 1,3-butadiene (BD) from 1-butene. The reaction was carried out at low temperature under an oxygen-free atmosphere in a continuous flow mode fixed bed reactor. A decrease in the lattice parameters observed from PXRD and high-resolution TEM analysis proved that iron occupies cerium sites in the crystal lattice. XPS, TPR, and oxygen uptake studies quantified the nature and abundance of different oxygen species. ODH was observed through consuming lattice oxygens. The vacancies generated could be filled by re-oxidation with an external supply of oxygen which will restore the catalytic activity demonstrating the Mars van Krevelen mechanism. [GRAPHICS] .

}, keywords = {1, 1-butene, 3-butadiene, Cerium, iron, Lattice oxygen, oxidative dehydrogenation}, issn = {1011-372X}, doi = {10.1007/s10562-020-03512-5, Early Access Date = FEB 2021}, author = {Venugopalan, Aswathy T. and Kandasamy, Prabu and Gogoi, Pranjal and Ratneshkumar, Jha and Thirumalaiswamy, Raja} } @article {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 {48411, title = {Antibiotic natural product hunanamycin A: Lead identification towards anti-Salmonella agents}, journal = {European Journal of Medicinal Chemistry}, volume = {236}, year = {2022}, month = {JUN}, pages = {114245}, type = {Article}, abstract = {

Design and synthesis of library of compounds around the antibiotic natural product hunanamycin A scaffold and their biological evaluation are disclosed here. These efforts resulted in identification of a lead compound 36, which is a structurally simplified analogue of original hunanamycin A with impressive activity against Salmonella enterica and possesses other druggable properties. In addition, no acute oral toxicity was observed for compound 36 in Swiss albino mice dosed up to 2 g/kg. It has the potential to be developed for the treatment of food infections caused by Salmonella. (c) 2022 Published by Elsevier Masson SAS.

}, keywords = {Antibiotic natural product, Hunanamycin A, Riboflavin synthase, Salmonella, Structure activity relationship}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2022.114245}, author = {Shingare, Rahul D. and MacMillan, John B. and Reddy, D. Srinivasa} } @article {48116, title = {Antimicrobial two-dimensional covalent organic nanosheets (2D-CONs) for the fast and highly efficient capture and recovery of phosphate ions from water}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {MAR }, pages = {4585-4593}, type = {Article}, abstract = {

The retrieval of depleting resources from wastewater could help resolve the mounting demands for resources in our society. Phosphate is an essential nutrient for all living things. However, the diminution of global reserves of phosphate rock could significantly affect our food security in the near future. At the same time, the removal of phosphates and pathogens is of great importance for water security and de-eutrophication. The specific pH-dependent adsorption and desorption of phosphate ions by water-insoluble adsorbents is an exciting strategy for removing and recovering phosphates from contaminated water. Herein, we report the development of new two-dimensional guanidine-containing covalent organic nanosheets (2D-gCONs). This water-insoluble amorphous polymer (exfoliated) selectively sequestered phosphate ions in the presence of other competing anions and could be reused for multiple cycles. The polymer showed a fast removal of phosphate ions with a maximum adsorption capacity of 398 mg g(-1) (pH 7.0). The sequestered phosphate ions could be easily reclaimed, and the polymer could be recycled just by altering the pH (similar to 10.0) of the aqueous solution. The guanidinium moieties played a pivotal role in exfoliation in aqueous medium and in the antibacterial activities against Gram-negative and Gram-positive bacteria. We hypothesize that the current study may advance the design of water-insoluble CONs to remove and recover phosphate ions from wastewater and could help alleviate the negative impact of water eutrophication. This strategy can also be tweaked to address other severe environmental challenges.

}, issn = {2050-7488}, doi = {10.1039/d1ta10911a}, author = {Dey, Subhasis and Das, Sribash and Patel, Anjali and Raj, K. Vipin and Vanka, Kumar and Manna, Debasis} } @article {48370, title = {BESFA: bioinformatics based evolutionary, structural \& functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs}, journal = {Heliyon}, volume = {8}, year = {2022}, month = {SEP}, pages = {e10476}, type = {Article}, abstract = {

The POTE family comprises 14 paralogues and is primarily expressed in Prostate, Placenta, Ovary, Testis, Embryo (POTE), and cancerous cells. The prospective function of the POTE protein family under physiological conditions is less understood. We systematically analyzed their cellular localization and molecular docking analysis to elucidate POTE proteins{\textquoteright} structure, function, and Adaptive Divergence. Our results suggest that group three POTE paralogs (POTEE, POTEF, POTEI, POTEJ, and POTEKP (a pseudogene)) exhibits significant variation among other members could be because of their Adaptive Divergence. Furthermore, our molecular docking studies on POTE protein revealed the highest binding affinity with NCI-approved anticancer compounds. Additionally, POTEE, POTEF, POTEI, and POTEJ were subject to an explicit molecular dynamic simulation for 50ns. MM-GBSA and other essential electrostatics were calculated that showcased that only POTEE and POTEF have absolute binding affinities with minimum energy exploitation. Thus, this study{\textquoteright}s outcomes are expected to drive cancer research to successful utilization of POTE genes family as a new biomarker, which could pave the way for the discovery of new therapies.

}, keywords = {(MMGBSA), Adaptive divergence, Evolution, generalized born surface area, Homology, Mechanics, Molecular docking, Molecular dynamic simulation molecular, POTE paralogs}, doi = {10.1016/j.heliyon.2022.e10476}, author = {Qazi, Sahar and Jit, Bimal Prasad and Das, Abhishek and Karthikeyan, Muthukumarasamy and Saxena, Amit and Ray, M. D. and Singh, Angel Rajan and Raza, Khalid and Jayaram, B. and Sharma, Ashok} } @article {48218, title = {Boosting electrochemical CO2 reduction to methane via tuning oxygen vacancy concentration and surface termination on a copper/ceria catalyst}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {SEP}, pages = {10973-10983}, type = {Article}, abstract = {

Metal oxides are a promising material for designing highly active and selective catalysts for the electrochemical reduction of carbon dioxide (CO2RR). Here, we designed a Cu/ceria catalyst with high selectivity of methane production at single-atomic Cu active sites. Using this, we report favorable design concepts that push the product selectivity of methane formation by combining detailed structural analysis, density functional theory (DFT), in situ Raman spectroscopy, and electrochemical measurements. We demonstrate that a higher concentration of oxygen vacancies on the catalyst surface, resulting from more available Cu+ sites, enables high selectivity for methane formation during CO2RR and can be controlled by the calcination temperature. The DFT calculation and in situ Raman studies indicate that pH controls the surface termination; a more alkaline pH generates hydroxylated surface motifs with more active sites for the hydrogen evolution reaction. These findings provide insights into designing an efficient metal oxide electrocatalyst by controlling the atomic structure via the reaction environment and synthesis conditions.

}, keywords = {copper-ceria, electrochemical CO2 reduction, electrolyte pH, gas diffusion electrode, methane production, Oxygen vacancy}, issn = {2155-5435}, doi = {10.1021/acscatal.2c02669}, author = {Patra, Kshirodra Kumar and Liu, Zhu and Lee, Hojeong and Hong, Seungwon and Song, Hakhyeon and Abbas, Hafiz Ghulam and Kwon, Youngkook and Ringe, Stefan and Oh, Jihun} } @article {47767, title = {CdS cubane type clusters encapsulated by rolling of single layer reduced graphene oxide sheets for enhanced mechanical energy harvesting}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {276}, year = {2022}, month = {FEB}, pages = {115528}, type = {Article}, abstract = {Composites with Single Layer Graphene Oxide (SLGO) sheets are extremely difficult to achieve, irrespective of the current advancements in graphene composites research. The difficulties in exfoliating the graphite oxide (GO) was associated with a strong interaction among the edge sides of the adjacent layers. This in-turn barricades the foreign intruders to interact with the basal plane, thereby restraining one to form composites with SLGO sheets. In this work, we had successfully exfoliated GO through a spacer [Cd(OAc)(2) + polyethylene glycol (PEG)] to result in nano-engineered CdS cubane-type clusters in rolled up SLGO to form graphene oxide complex compound (GOCC), resembling carbon nanotubes (CNTs). The CdS cubane-type clusters were found to interacting with the carbon skeleton of rolled reduced SLGO sheet through a Manogate{\textquoteright} structures, which was supported by density functional theory (DFT) calculations. Our theoretical study reveals that the obtained complex compound (GOCC) is thermodynamically more favourable than its ancestor materials (CdS cubane and empty CNT). Flexible piezoelectric nanogenerators (PENGs) fabricated from GOCC and thermoplastic polyurethane (TPU) resulted in output voltage (V-oc) of 4.5 V and output current of 0.4 mu A at applied force of 13 N. The nanoengineering helps to achieve superior mechanical energy harvesting performance for GOCC compared to pristine CdS, which demonstrate the potential of nanogate structures to enhance the intrinsic properties of materials.}, keywords = {Graphene oxide complex compound, Nanogate structure, New material, Novel procedure, Piezoelectric nanogenerator, SLGO}, issn = {0921-5107}, doi = {10.1016/j.mseb.2021.115528}, author = {Kumar, Praveen and Ram, Farsa and Shanmuganathan, Kadhiravan and Luwang, Meitram Niraj} } @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 {48173, title = {Characterization of axial dispersion in a vertical helical coil for gas-liquid-liquid flow at low Reynolds numbers}, journal = {Reaction Chemistry \& Engineering}, volume = {7}, year = {2022}, month = {MAY }, pages = {1083-1095}, type = {Article}, abstract = {

Gas-liquid-liquid (GLL) slug flow reactors offer several advantages like higher interfacial area, excellent mass transfer, and lower backmixing. Mesoscale (diameter similar to a few mm) helical coiled reactors operating in a slug flow regime can be used as GLL reactors even for reactions with long residence times. The long residence time invariably leads to low Reynolds number flows, which makes the backmixing or axial dispersion an important parameter influencing reactor performance. In this work, we have characterized the residence time distribution (RTD) and axial dispersion for single, gas-liquid, liquid-liquid, and gas-liquid-liquid flows through a vertical helical coil. Slow flows with low Reynolds numbers (\<100) were considered. RTD measurements were carried out with a step input and the outlet concentration was tracked by measuring light absorbance using a spectrophotometer. The applicability of the axial dispersion model was examined and verified for the studied systems. The axial dispersion was quantified in terms of dispersion coefficients. A significant reduction in the axial dispersion was observed by virtue of multiphase operation, in the order single \> gas-liquid \> liquid-liquid \> gas-liquid-liquid flow. This characterization of backmixing for multiphase flows in curved geometries will be helpful in the optimization of slow reactions in flow and also for processes like nanoparticle synthesis, crystallization, etc.

}, issn = {2058-9883}, doi = {10.1039/d1re00309g}, author = {Khan, Muzammil and Joshi, Sunil and Ranade, Vivek} } @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 {48074, title = {Comparative investigation on the catalytic performance of HT/SBA-15 and SBA-15/HT composites for the isomerization of glucose to fructose}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {286}, year = {2022}, month = {DEC}, pages = {116052}, type = {Article}, abstract = {

Hydrotalcites (HT) have a broad spectrum of applications as prosperous heterogeneous catalysts for diverse chemical transformations. The catalytic activity of HT-based materials can be tailored by introducing siliceous material into the internal or external framework. The surface modification of the HT framework with silica mesostructures leads to the formation of versatile Lewis base, Bronsted base and redox catalytic active sites. This work presents the comparative evaluation of the catalytic performance of HT/SBA-15 and SBA-15/HT composites for the isomerization of glucose to fructose using 1-butanol as a solvent. The composites with different external morphology were prepared by a modified template-assisted hydrothermal method, using different HT to SBA-15 proportions. The textural and morphological characterization results conferred the efficiency of the employed post-synthetic intercalation strategy to achieve the successful formation of HT/SBA-15 and SBA-15/HT composites. With optimal HT loading and surface basicity, the HTS-3 composite demonstrated the highest catalytic performance, resulting in good glucose conversions (54 \%) with improved selectivity (\>83 \%). The observed high reactivity could be mainly attributed to the extensive dispersion of HT particles on the SBA-15 component, which contributes to a significant increase in textural properties and surface basicity. Furthermore, special attention is devoted to addressing such reactivity phenomena as active site selectivity, catalyst multifunctionality and multisite reactivity commonly encountered in mesoporous catalysis.

}, keywords = {composites, glucose, hydrotalcite, isomerization, SBA-15}, issn = {0921-5107}, doi = {10.1016/j.mseb.2022.116052}, author = {Manikandan, Marimuthu and Arjunan, Ayyappan and Prabu, Marimuthu and Raja, Thirumalaiswamy and Sangeetha, Palanivelu} } @article {47893, title = {Competing intra- vs intermolecular nitrene transfer in the [Au]-catalysed reaction of 2-alkynylphenylazides}, journal = {Advanced Synthesis \& Catalysis}, volume = {364}, year = {2022}, month = {MAR}, pages = {1122-1133}, type = {Article}, abstract = {

The possibility of interrupting the gold-catalysed intramolecular cyclization of 2-alkynylphenylazide derivatives, employing known nitrene transfer reagents such as anthranil and its isomer 1,2-benzisoxazole, has been attempted in search of developing simple tools for product diversification. With 1,2-benzisoxazoles, the intermolecular nitrene transfer leading to quinazoline is competitive with intramolecular azidoalkyne cyclization resulting in spiro indol-3-ylidene derivatives. However, in case of the reaction in the presence of anthranil, both intra- and intermolecular nitrene transfer processes result in the same product indol-3-ylidene.

}, keywords = {2-Benzisoxazole, Anthranil and 1, Gold catalysis, Nitrene Transfer, Quinazoline}, issn = {1615-4150}, doi = {10.1002/adsc.202101412}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @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 {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 {48207, title = {Copper(II) import and reduction are dependent on His-Met clusters in the extracellular amino terminus of human copper transporter-1}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAR}, pages = {101631}, type = {Article}, abstract = {

Copper(I) is an essential metal for all life forms. Though Cu(II) is the most abundant and stable state, its reduction to Cu(I) via an unclear mechanism is prerequisite for its bioutilization. In eukaryotes, the copper transporter-1(CTR1) is the primary high-affinity copper importer, although its mechanism and role in Cu(II) reduction remain uncharacterized. Here we show that extracellular amino-terminus of human CTR1 contains two methionine-histidine clusters and neighboring aspartates that distinctly bind Cu(I) and Cu(II) preceding its import. We determined that hCTR1 localizes at the basolateral membrane of polarized MDCK-II cells and that its endocytosis to Common-Recycling-Endosomes is regulated by reduction of Cu(II) to Cu(I) and subsequent Cu(I) coordination by the methionine cluster. We demonstrate the transient binding of both Cu(II) and Cu(I) during the reduction process is facilitated by aspartates that also act as another crucial determinant of hCTR1 endocytosis. Mutating the first Methionine cluster ((7)Met-Gly-Met(9)) and Asp(13)( )abrogated copper uptake and endocytosis upon copper treatment. This phenotype could be reverted by treating the cells with reduced and nonreoxidizable Cu(I). We show that histidine clusters, on other hand, bind Cu(II) and are crucial for hCTR1 functioning at limiting copper. Finally, we show that two N-terminal His-Met-Asp clusters exhibit functional complementarity, as the second cluster is sufficient to preserve copper-induced CTR1 endocytosis upon complete deletion of the first cluster. We propose a novel and detailed mechanism by which the two His-Met-Asp residues of hCTR1 amino-terminus not only bind copper, but also maintain its reduced state, crucial for intracellular uptake.

}, doi = {10.1016/j.jbc.2022.101631}, author = {Kar, Sumanta and Sen, Samarpita and Maji, Saptarshi and Saraf, Deepashri and Ruturaj and Paul, Rupam and Dutt, Sohini and Mondal, Basudeb and Rodriguez-Boulan, Enrique and Schreiner, Ryan and Sengupta, Durba and Gupta, Arnab} } @article {48070, title = {Covalent organic framework with electrodeposited copper nanoparticles - a desirable catalyst for the Ullmann coupling reaction}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {JUL}, pages = {15647-15656}, type = {Article}, abstract = {

A covalent organic framework is a porous covalently-linked polymeric assembly built from molecular lego blocks, the monomers. A COF{\textquoteright}s high surface area, ordered pores, and intrinsic low density makes it a perfect heterogeneous catalyst component. Dispersing catalytic metal nanoparticles into the porous COF matrix in a {\textquoteleft}capping-agent-free{\textquoteright} manner can aid the maximal utilization of the active sites. To generate single-site catalysts, metals have been anchored to dense supports, or metal ions have been coordinated to the porous organic framework. The latter has superior atom efficiency and a substrate diffusion advantage. Stably nestling neutral metallic clusters into open-framework supports with no specifically strong binding groups requires a different approach. If infused from extremely dilute electrolytes, metal clusters can be nanoconfined into electrically activated COFs. At low-loadings, it can resemble a single-site catalyst with high atom efficiency. Herein, we report the larger scale synthesis of IISERP-COF15 and electrochemical loading of copper nanoparticles into its pores at loadings as low as 3.34 wt\%. We employed classical Ullmann reactions to adjudge its activity. Typical turnover numbers for the catalysts reported in the literature are approximately 50-100. A Cu@COF shows high activity with a very low catalyst loading of 0.25 mol\% (TON around similar to 300-350 vs. 4 for neat CuCl2 center dot 2H(2)O (homogeneous catalyst) and turnover frequency (similar to 15-17 h(-1))). We recycled it for up to 3 cycles. Furthermore, we report a multi-fold Ullmann reaction producing an unreported hexaaldehyde to demonstrate the latitude of the catalyst. Our work points to the potential of a dilutely loaded metal@COF as a mimic of the single-site catalyst for synthesizing valuable C-O linked molecules. Our findings from computational modeling shed light on the role of the COF as an active nanoporous support for Ullmann C-O coupling.

}, issn = {2050-7488}, doi = {10.1039/d2ta01326f}, author = {Chandran, Chandana and Singh, Himan Dev and Leo, Liya S. and Shekhar, Pragalbh and Rase, Deepak and Chakraborty, Debanjan and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article {47898, title = {Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAR }, pages = {4784-4791}, type = {Article}, abstract = {

A practical and highly efficient oxidative dual C-H sulfenylation of imidazoheterocycles using odorless, inexpensive elemental sulfur in DMSO to synthesize sulfur-bridged imidazoheterocycles under metal-free conditions is reported. The amount of diethyl phosphite and sulfur powder most attractively permits a tunable synthesis of bis(imidazoheterocycle)disulfanes and bis(imidazoheterocycle)sulfanes in good to high yields. A comprehensive substrate scope with a broad range of functional group tolerance was realized, and the efficacy of the process was proved at gram-scale reactions. Next, the bis(imidazopyridine)disulfanes were smoothly reacted with various indoles under similar conditions to form the corresponding imidazo[1,2-a]pyridine-indole-derived thioethers in high yields. A plausible mechanism has been proposed based on the control experiments.

}, issn = {1144-0546}, doi = {10.1039/d1nj05226h}, author = {Reddy, Raju Jannapu and Shankar, Angothu and Kumar, Jangam Jagadesh and Sharadha, Nunavath and Krishna, Gamidi Rama} } @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 {48180, title = {DNA binding, antitubercular, antibacterial and anticancer studies of newly designed piano-stool ruthenium(ii) complexes}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {NOV }, pages = {16371-16382}, type = {Article}, abstract = {

The chemotherapeutic potential of ruthenium(ii) complexes has recently attracted researchers{\textquoteright} interest as antibacterial and anticancer agents. In this study, two novel half-sandwich imine-based Ru complexes ([Ru(p-cymene)Cl(L-1)][PF6] (Ru-1) and [Ru(p-cymene)Cl(L-2)][PF6] (Ru-2)) were reported for their deoxyribonucleic acid (DNA) binding and antitubercular, antibacterial, and anticancer activities. The molecular structure of Ru-2 was obtained by single-crystal X-ray crystallography. DNA interaction studies were conducted by UV-Vis absorbance and fluorescence spectral titration which gave rise to DNA binding constants (K-b) of 1.32 x 10(6) and 1.82 x 10(6) for Ru-1 and Ru-2, respectively and the Stern-Volmer binding constant (K-SV) values for Ru-1 and Ru-2 were 1.7763 x 10(4) M-1 and 7.6 x 10(3) M-1, respectively. The in vitro antitubercular activity was evaluated against Mycobacterium tuberculosis H37Ra. The antibacterial potential of both the Ru-complexes was examined against Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus and Bacillus subtilis) bacteria. The half-maximal inhibitory concentration (IC50) values for the antitubercular activity of Ru-1 and Ru-2 were 4.87 +/- 1.32 mu M and 5.78 +/- 0.54 mu M, respectively. A cytotoxic study of these complexes was performed against the human breast cancer cell line (MCF-7) and the human embryonic kidney cell line (HEK293) (normal cells). The study revealed meaningful activity of the Ru-1 complex against (cancer) MCF-7 cells, while the viability of HEK293 (normal) cells in the presence of Ru-2 was higher as compared to a reference drug 5FU. We suggest that these kinds of Ru-complexes could have potential for application in metallopharmaceuticals.

}, issn = {1477-9226}, doi = {10.1039/d2dt02577a}, author = {Navale, Govinda and Singh, Sain and Agrawal, Sonia and Ghosh, Chandrachur and Choudhury, Angshuman Roy and Roy, Partha and Sarkar, Dhiman and Ghosh, Kaushik} } @article {47761, title = {Donor-acceptor based solvent-free organic liquid hybrids with exciplex emission and room temperature phosphorescence}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {FEB }, pages = {1998-2001}, type = {Article}, abstract = {Solvent-free organic liquids are well-known for their excellent luminescence features. Hence, the recent developments in this area have marked them as potential emitters with high quantum yield and enhanced processability. The support of an available liquid matrix enables doping to deliver hybrid liquids with intriguing luminescence features. In this direction, we report solvent-free liquid donor-acceptor pairs with exciplex emission and room temperature phosphorescence at very low acceptor loading. The underlying weak intermolecular interactions have been revealed by 2D NMR techniques and theoretical calculations. The formation of large-area thin films by exciplex and phosphorescent liquid hybrids will encourage the development of scalable lighting and display materials.}, issn = {1359-7345}, doi = {10.1039/d1cc07082g}, author = {Wakchaure, Vivek Chandrakant and Veer, Sairam D. and Nidhankar, Aakash D. and Goudappagouda and Nayak, Rashmi and Asokan, Kiran and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {48417, title = {Dual nanomechanics in anisotropic porous covalent organic framework janus-type thin films}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {JAN}, pages = {400-409}, type = {Article}, abstract = {

Empowered by crystalline ordered structures and homogeneous fabrication techniques, covalent organic frameworks (COFs) have been realized with uniform morphologies and isotropic properties. However, such homogeneity often hinders various surface-dependent properties observed in asymmetric nanostructures. The challenge remains to induce heterogeneity in COFs by creating an asymmetric superstructure such as a Janus thin film. In this regard, we propose a versatile yet straightforward interfacial layer-grafting strategy to fabricate free-standing Janus-type COF-graphene thin films. Herein, two-dimensional graphene sheets were utilized as the suitable grafter due to the possibility of noncovalent interactions between the layers. The versatility of the approach was demonstrated by fabricating two distinct Janus-type films, with the COF surface interwoven with nanofibers and nanospheres. The Janus-type films showcase opposing surface morphologies originating from graphene sheets and COF nanofibers or nanospheres, preserving the porosity (552-600 m(2) g(-1)). The unique surface chemistries of the constituent layers further endow the films with orthogonal mechanical properties, as confirmed by the nanoindentation technique. Interestingly, the graphene sheets favor the Janus-type assembly of COF nanofibers over the nanospheres. This is reflected in the better nanomechanical properties of COFfiber-graphene films (E-gra(phene) = 300-1200 MPa; E-COF( )= 15-60 MPa) compared to the COFsphere-graphene films (E-gra(phe)ne = 11-14 MPa; E-CO(F )= 2-5 MPa). These results indicate a direct relationship between the mechanical properties and homo/heterogeneity of Janus-type COF films.

}, issn = {0002-7863}, doi = {10.1021/jacs.1c10263}, author = {Mohata, Shibani and Dey, Kaushik and Bhunia, Surojit and Thomas, Neethu and Gowd, E. Bhoje and Ajithkumar, Thalasseril G. and Reddy, C. Malla and Banerjee, Rahul} } @article {48359, title = {Electronic structure evolution from metallic vanadium to metallic VxOy: a nappes study for o2+v gas-solid interaction}, journal = {Journal of Physical Chemistry C}, volume = {126}, year = {2022}, month = {NOV}, pages = {19136-19146}, type = {Article}, abstract = {

Gas-solid interactions between molecular oxygen and metallic vanadium surfaces and the systematic evolution in the electronic structure of vanadium oxide (VOx) surfaces have been explored in the present work by near-ambient pressure photo-electron spectroscopy (NAPPES). The current article studies the evolution of various oxides of vanadium as a function of partial pressure of O2 (ultrahigh vacuum to 1 mbar), temperature (298- 875 K), and the exposure time to oxygen (up to 18 h). Valence -band (VB) and core-level spectral measurements recorded with UV (He-I = 21.2 eV) and Al K alpha (1486.6 eV) photons, respectively, show interesting changes. (1) Oxidation is limited to the top layers of vanadium at 298 K and up to a partial pressure of 1 mbar O2. About 50\% of vanadium gets oxidized, and the remaining amount exists as metal within the top 10 nm. (2) Metallic vanadium disappears above 625 K, and it is predominantly oxidized to a mixture of V4+ and V5+ oxidation states at a 0.1 mbar partial pressure of O2. Points 1 and 2 suggest the predominantly thermodynamically controlled nature of vanadium oxidation through oxygen diffusion into the subsurface and bulk layers. (3) The Fermi-level (EF) feature observed first at \>= 725 K at a 0.1 mbar O2 pressure demonstrates the formation of metallic VO2; however, its metallic nature is preserved even at ambient temperature due to interweaving nanodomains of VOx with VO2. (4) Only partial conversion of surface layers to V5+ (V2O5) along with VO2 and V2O3 (within the probing depth of 8-10 nm by near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS)) was observed even after prolonged heating (18 h) in 1 mbar O2 pressure. (5) The nature of the surface changes between metal and semiconducting/ insulator oxides is substantiated by the observation of changes in work function (phi) and EF features. Typical VB features and Fermi intensity of V-metal and vanadium oxides were observed, and the results were corroborated with core-level and VB spectra. The present results extend the capabilities of NAPPES to explore the electronic structure evolution as a function of reaction conditions and underscore its relevance to areas such as heterogeneous catalysis and sensing.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.2c05212}, author = {Ranjan, Ravi and Mhamane, Nitin B. and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {47983, title = {Enhanced anisole hydroxylation over a hierarchical micro/mesoporous TS-1 catalyst}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {AUG}, pages = {14667-14675}, type = {Article}, abstract = {

Hierarchical TS-1 materials were synthesized using hydrothermal synthesis and a post modification technique through desilication. They were evaluated for hydroxylation of anisole to produce industrially important chemicals, o-methoxyphenol (OMP) and p-methoxyphenol (PMP). The detailed characterization of the prepared catalysts, such as morphology, structure, nature of Ti and surface area were obtained by SEM, HR-TEM, XRD, UV-VIS spectroscopy and the BET technique. The effects of various operational parameters such as substrate/H2O2 molar ratio, reaction temperature, catalyst concentration and solvent effect on the hydroxylation of anisole have been studied in detail. The microporous TS-1 catalyst showed 32\% anisole conversion with 34\% selectivity to PMP, while the micro/mesoporous DTS-1 catalyst showed enhanced activity for anisole hydroxylation, i.e. 54\% conversion with 55\% selectivity towards PMP. The increased framework Ti and improved accessibility of the active sites located in the channels of DTS-1, which permit the mass transfer of reactants, transition states and products from the mesopores of DTS-1, were responsible for the enhanced catalytic activity and selectivity towards p-methoxyphenol.

}, issn = {1144-0546}, doi = {10.1039/d2nj01556k}, author = {Patil, Chetana R. and Niphadkar, Prashant and Kamble, Sanjay P. and Rode, V. Chandrashekhar} } @article {48190, title = {Enhanced field emission behaviour from ethylene glycol mediated synthesis of 2D hexagonal SnS2 disc with nanoparticle}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {284}, year = {2022}, month = {OCT}, pages = {115865}, type = {Article}, abstract = {

Herein, octahedron and stacked 2D hexagonal disc - like nanostructures of SnS2 were obtained by hydrothermal and ethylene glycol mediated hydrothermal methods, respectively. Attempt has been made to shade light on the plausible growth mechanism. Liquid phase exfoliation followed by centrifugation process leads to presence of tiny single crystalline SnS2 nanoparticles (similar to 5 nm) on the hexagonal discs over C substrate, characterized by preferred growth along {001} direction. The observed Raman shift and enhanced intensities of A(1g) and E-g modes infer charge interactions between the SnS2 disc and C substrate. Interestingly, the SnS2-C emitter exhibited superior field emission (FE) behaviour due to the unique morphology, excellent charge transfer, and reduced work function (similar to 4.1 eV). Here the extraction of large current density of similar to 1137 mu A/cm(2) at an applied field of 3.72 V/mu m, with good emission current stability. The present strategy is beneficial to design architectured morphology for multi-functionality.

}, keywords = {2D layered materials, Field Emission (FE), SnS2, SnS2 on C}, issn = {0921-5107}, doi = {10.1016/j.mseb.2022.115865}, author = {Mutadak, Pallavi R. and Chaudhari, Nilima S. and Gadhave, Dattatraya C. and Rajput, Parikshit K. and Kolekar, Sadhu K. and Late, Dattatray J. and More, Mahendra A. and Warule, Sambhaji S.} } @article {48135, title = {Enhanced proton conductivity in amino acid based self-assembled non-porous hydrogen-bonded organic frameworks}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAY}, pages = {5972-5975}, type = {Article}, abstract = {

beta-Alaninium oxalate hemihydrate, glycinium oxalate, and L-leucinium oxalate salt-cocrystals as non-porous self-assembled hydrogen-bonded organic frameworks afforded proton conductivity of 2.43 x 10(-2) S cm(-1) (60 degrees C, 95\% RH), 3.03 x 10(-2) S cm(-1) (60 degrees C, 95\% RH), and 1.19 x 10(-2) S cm(-1) (80 degrees C, 95\% RH), respectively. These materials possess an extensive 3-dimensional network of hydrogen bonds in their crystal structures, making them efficient proton conducting membranes. The reduction in conductivity values over 10(-1) S cm(-1) order upon exposure of the samples to a D2O atmosphere in extreme conditions ratified the role of humidity for the conduction of protons. This work explores the relationship between structural features and proton conductivity for the design of proton conducting membranes that are easy to synthesize, eco-friendly, and cheap with potential for futuristic applications.

}, issn = {1359-7345}, doi = {10.1039/d2cc00948j}, author = {Pramanik, Titas and Anand, Ashish and Pandikassala, Ajmal and Illathvalappil, Rajith and Kurungot, Sreekumar and Row, T. N. Guru} } @article {47897, title = {Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAR }, pages = {6244-6254}, type = {Article}, abstract = {

Density functional theory calculations in the framework of B3LYP, TPSS and M06-L were carried out to investigate the effect of single and double germanium atom doping on the geometric structure and electronic properties of boron clusters with 10 to 20 atoms. Global minima of GeBn and Ge2Bn (n = 10-20) were first obtained through Crystal Structure Analysis by the Particle Swarm Optimization method and then subsequently optimized using meta-generalized gradient approximation, hybrid and local functionals. It is found that the lowest energy structures of GeBn and Ge2Bn clusters exhibit planar, quasi-planar, semi-cage, bowl, and double ring topologies. Like BnSi clusters, the results reveal that the germanium atom prefers the peripheral regions of the B-n framework contrary to transition metal doped boron clusters. Furthermore, the calculated electronic properties such as the average binding energy and second order difference in binding energy indicate GeB20 and Ge2B16 to be the most stable clusters. Molecular orbital and adaptive natural density partitioning analyses were carried out to understand the extra stability of GeB20 and Ge2B16 clusters.

}, issn = {1144-0546}, doi = {10.1039/d2nj00227b}, author = {Anis, Insha and Dar, Mohd Saleem and Rather, Ghulam Mohammad and Dar, Manzoor Ahmad} } @article {48050, title = {Facile synthesis of the spiro-pyridoindolone scaffold via a gold-catalysed intramolecular alkynol cyclisation/hydroindolylation}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {MAR}, pages = {d1ob02483c}, type = {Article}, abstract = {

A simple approach for the synthesis of pyridoindolone scaffolds with a spiroannulated tetrahydrofuran ring is described. The overall process comprises intramolecular sequential gold-catalysed 5-endo-dig alkynol cycloisomerization and subsequent addition of indole C2 to the in situ generated oxocarbenium cation.

}, issn = {1477-0520}, doi = {10.1039/d1ob02483c}, author = {Shinde, Mahesh H. and Ramana, V. Chepuri} } @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 {48129, title = {From {\textquoteleft}{\textquoteleft}Cosmic Cooking{\textquoteright}{\textquoteright} to chemistry of the future: a collective dialogue on chemistry as a tribute to Prof. Sourav Pal.}, journal = {Frontiers in Chemistry}, volume = {10}, year = {2022}, month = {APR}, pages = {908165}, type = {Editorial Material}, keywords = {cosmic cooking, coupled cluster and density functional calculations, dialogue on chemistry, pincers porphyrinoids and oxometalates, small molecule activation, Theoretical chemistry}, issn = {2296-2646}, doi = {10.3389/fchem.2022.908165}, author = {Roy, Soumyajit and Krishnamurty, Sailaja and Schoefberger, Wolfgang} } @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 {48099, title = {Green transformation of CO2 to ethanol using water and sunlight by the combined effect of naturally abundant red phosphorus and Bi2MoO6}, journal = {Energy \& Environmental Science}, volume = {15}, year = {2022}, month = {MAY }, pages = {1967-1976}, type = {Article}, abstract = {

Direct photocatalytic conversion of CO2 to ethanol remains a scientific challenge because of the sluggish kinetics of C-C coupling and complex multielectron transfer processes. To achieve a green transformation of CO2 to C1+ products using naturally abundant sunlight and water requires the smart design of an efficient catalyst by selecting the right combination of atoms either in elemental or in compound form. Herein, we report a composite photocatalyst composed of earth abundant red phosphorus (RP) in nano-sheet morphology decorated with Bi2MoO6 nano-particles. The composite synthesised by a facile ultrasonication method produces 51.8 mu mol g(-1) h(-1) of ethanol from CO2. The ability of RP for the conversion of CO2 to C1 has been altered by the introduction of Bi2MoO6. In situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and Kinetic Isotopic Effect (KIE) analysis shed light on the mechanistic pathway, which propose that the presence of Bi-Mo dual sites play a crucial role in the C-C coupling toward the formation of ethanol. Spectroscopic evidence and isotope labeling experiments suggest that the intermediate OCH3* is the key active species for ethanol formation via self-coupling followed by proton transfer.

}, issn = {1754-5692}, doi = {10.1039/d1ee02976b}, author = {Das, Risov and Das, Kousik and Ray, Bitan and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48227, title = {Gut microbiota dysbiosis in patients with intracranial sino-venous thrombosis and acute ischemic stroke in the young}, journal = {Annals of Indian Academy of Neurology}, volume = {25}, year = {2022}, month = {SEP-OCT}, pages = {980+}, type = {Letter}, issn = {0972-2327}, doi = {10.4103/aian.aian_393_22}, author = {Prabhu, Varsha A. and Rajput, Vinay and Yadav, Rakeshkumar and Gohil, Kushal and Dharne, Mahesh S. and Unnikrishnan, Mazhuvancherry Kesavan and Gorthi, Sankar Prasad} } @article {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 {48031, title = {Highly efficient chemoselective hydrogenation of 5-HMF to BHMF over reusable bimetallic Pd-Ir/C catalyst}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {JUN}, pages = {e202200456}, type = {Article}, abstract = {

Catalytic synergism was observed for a bimetallic Pd-Ir catalyst supported on activated carbon for chemoselective hydrogenation of 5-hydroxymetahyl furfural (5-HMF) to 2, 5-(bishydroxymethyl) furan (BHMF) with complete conversion and 97 \% selectivity under very mild reaction conditions. The structural characterization like XRD, N-2 sorption, FE-SEM and TEM suggested formation of fine nanoparticles (1.95-3.08 nm) having very higher surface area, uniform distribution and mesoporous nature of the material. XPS spectra and Pyridine-IR spectroscopy revealed formation of Pd-PdO and Ir/IrO2/IrO3 interface on the catalytic surface along with strong Bronsted acidic sites which were responsible for high efficiency of catalyst at 80 degrees C, 100 psig H-2 pressure at 5-HMF/Catalyst=20 and within 2.5 h of reaction time. A plausible reaction mechanism is also elucidated based on structure activity correlation.

}, keywords = {5-HMF, Carbon, Catalytic synergism, Selective hydrogenation, Valorization}, issn = {2365-6549}, doi = {10.1002/slct.202200456}, author = {Ratrey, Geetanjali and Solanki, Bhanupratap S. and Kamble, Sanjay P. and Rode, V. Chandrashekhar} } @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 {48184, title = {Hydrodechlorination of 4-chloro-2-aminophenol into a recyclable product using Ni- and Cu-based catalysts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {61}, year = {2022}, month = {OCT}, pages = {14433-14445}, type = {Article}, abstract = {

The 4-chloro-2-amino phenol (4C2AP) bearing wastewater is produced while manufacturing dyes and pharma-ceutical ingredients. Ni-and Cu-based cost-effective catalysts were developed, typically characterized, and subjected to hydrodechlori-nation (HDC) of 4C2AP. The role of reducing agents, concentration, pH of wastewater, presence of salt, reaction temperature, catalyst reuse, and the kinetics was investigated. A selective makeover of 2-amino phenol (2AP) was analyzed by HPLC, LCMS, and NMR. A complete HDC of 4C2AP with remarkable selectivity (98\%) toward 2AP was achieved using a Ni0 catalyst and NaBH4 at room temperature. It is observed that the alkaline condition, the presence of salt, and a high reaction temperature favor the HDC process. A maximum of 1 g L-1 of the Ni0 loading is found to be sufficient to dechlorinate the pollutant. It can be concluded that the catalytic HDC is a technically viable and inexpensive process for the conversion of 4C2AP into a valuable product, 2AP.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.2c00848}, author = {Shetty, Rohit R. and Raut, Sandesh S. and Kulkarni, Prashant S. and Kamble, Sanjay P.} } @article {47722, title = {Hydrogen solubility in biphasic liquid reaction mixture of cinnamaldehyde hydrogenation: experimental and mathematical modeling study}, journal = {Journal of Chemical Sciences}, volume = {134}, year = {2022}, month = {MAR}, pages = {1}, type = {Article}, abstract = {The solubility of hydrogen in the biphasic reaction mixture of cinnamaldehyde hydrogenation at 298 to 353 K has been determined in this work experimentally and by using a thermodynamic model. It is evident from many studies that the addition of extra phase, aqueous KOH as the fourth phase, to the three-phase cinnamaldehyde hydrogenation mixture [gas (hydrogen)-liquid (cinnamaldehyde + toluene)-solid (catalyst)] leads to enhancement of cinnamyl alcohol selectivity to a great extent. Determination of hydrogen solubility in this biphasic (organic-aqueous) reaction mixture is crucial to understand the intrinsic reaction kinetics of this reaction. The solubility of hydrogen was experimentally determined using a pressure drop method and reported in terms of Henry{\textquoteright}s constant. Firstly, hydrogen solubility was determined in pure components viz. toluene, cinnamaldehyde, and water followed by determination of its solubility in the cinnamaldehyde-toluene mixture, aqueous KOH, and eventually, in the reaction mixture containing the two immiscible liquid phases. The effect of changing concentrations in these mixtures and changing phase holdups in the total reaction mixture on hydrogen solubility was studied. Starting from pure components to the reaction mixture, the hydrogen solubility was predicted using a two-step thermodynamic approach involving regular solution theory and the theory of corresponding states. The solubility predictions from this thermodynamic model will be helpful in the accurate estimation of kinetic parameters.}, keywords = {biphasic liquid mixture, gas-liquid-liquid-solid [GLLS], hydrogen solubility, Hydrogenation, thermodynamic model}, issn = {0974-3626}, doi = {10.1007/s12039-021-01987-2}, author = {Khan, Muzammil Y. and Joshi, Sunil S. and Ranade, Vivek V.} } @article {48044, title = {Hypervalent-iodine-mediated oxidation followed by the acetoxylation/tosylation of alpha-substituted benzylamines to obtain alpha-acyloxy/tosyloxy ketones}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {SEP}, pages = {16832-16839}, type = {Article}, abstract = {

An efficient and metal-free method has been developed for the sequential oxidation of alpha-alkylbenzylamines followed by acetoxylation or tosylation for the synthesis of alpha-acyloxy/tosyloxy ketones using hypervalent iodine(iii). The employment of a simple starting material, broad substrate scope and operational simplicity are the key features of this protocol.

}, issn = {1144-0546}, doi = {10.1039/d2nj02271k}, author = {Rupanawar, Bapurao D. and Mane, Kishor D. and Suryavanshi, Gurunath} } @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 {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 {48132, title = {Incorporating conducting polypyrrole into a polyimide COF for carbon-free ultra-high energy supercapacitor}, journal = {Advanced Energy Materials}, volume = {12}, year = {2022}, month = {SEP}, pages = {2200754}, type = {Article}, abstract = {

Redox-active covalent organic frameworks (COFs) store charges but possess inadequate electronic conductivity. Their capacitive action works by storing H+ ions in an acidic electrolyte and is typically confined to a small voltage window (0-1 V). Increasing this window means higher energy and power density, but this risks COF stability. Advantageously, COF{\textquoteright}s large pores allow the storage of polarizable bulky ions under a wider voltage thus reaching higher energy density. Here, a COF-electrode-electrolyte system operating at a high voltage regime without any conducting carbon or redox active oxides is presented. Conducting polypyrrole (Ppy) chains are synthesized within a polyimide COF to gain electronic conductivity (approximate to 10 000-fold). A carbon-free quasi-solid-state capacitor assembled using this composite showcases high pseudo-capacitance (358 mF cm(-2)@1 mA cm(-2)) in an aqueous gel electrolyte. The synergy among the redox-active polyimide COF, polypyrrole and organic electrolytes allows a wide-voltage window (0-2.5 V) leading to high energy (145 mu Wh cm(-2)) and power densities (4509 mu W cm(-2)). Amalgamating the polyimide-COF and the polypyrrole as one material minimizes the charge and mass transport resistances. Computation and experiments reveal that even a partial translation of the modules/monomers intrinsic electronics to the COF imparts excellent electrochemical activity. The findings unveil COF-confined polymers as carbon-free energy storage materials.

}, keywords = {carbon free capacitors, cation-anion co-storage, conductivity, high energy capacitors, polypyrrole doped COFs}, issn = {1614-6832}, doi = {10.1002/aenm.202200754}, author = {Haldar, Sattwick and Rase, Deepak and Shekhar, Pragalbh and Jain, Chitvan and Vinod, Chathakudath Prabhakaran and Zhang, En and Shupletsov, Leonid and Kaskel, Stefan and Vaidhyanathan, Ramanathan} } @article {48156, title = {Influence of catalyst reduction temperature on autogenous glycerol hydrogenolysis over NiAl catalyst}, journal = {Asian Journal of Organic Chemistry}, volume = {11}, year = {2022}, month = {FEB}, pages = {e202100704}, type = {Article}, abstract = {

Autogenous glycerol hydrogenolysis to 1,2-propanediol by aqueous phase reforming (APR) was investigated over supported nickel catalysts. Effect of reduction temperature on physico-chemical properties of catalysts played a significant role in tuning conversion and product selectivities. The formation of nickel aluminate (NiAl2O4) spinel phase during catalyst reduction led to rearrangement of Ni species to obtain small and stable Ni particles. The catalyst activation temperature alters the extent of reduction of multivalent Ni species (Ni-0, Ni+2/+3) which facilitated glycerol dehydration and hydrogenation while suppressing C-C cleavage and thus avoiding undesirable side products. Additionally, presence of moderate Bronsted/Lewis acid ratio of the catalyst promoted higher 1,2-PDO selectivity. In-situ glycerol hydrogenolysis involves glycerol dehydration to acetol with simultaneous reforming to H-2 and CO2 and this hydrogen converts acetol to 1,2-PDO.

}, keywords = {APR, autogenous hydrogenolysis, Glycerol, Propanediols, reduction temperature, spinel}, issn = {2193-5807}, doi = {10.1002/ajoc.202100704}, author = {Pandya, Rajan and Mane, Rasika and Rode, Chandrashekhar} } @article {48188, title = {Influence of support textural property on CO2 to methane activity of Ni/ SiO2 catalysts}, journal = {Applied Catalysis B-Environmental}, volume = {317}, year = {2022}, month = {NOV}, pages = {121692}, type = {Article}, abstract = {

In this work, we elucidated the role of physicochemical textural properties of inert support on the catalyst ac-tivity by impregnating Ni on ordered mesoporous silica (SBA-15 and MCM-41) and non-mesoporous silica (nMPS). The catalyst Ni/SBA-15 exhibited the best CO2 conversion (83\%) and product selectivity (99.9 \%) followed by Ni/MCM-41 and the least by Ni/nMPS. The difference in the nature of the catalyst, degree of nanoparticle distribution and nanoparticle encapsulation by different silica support were studied by N2 adsorption-desorption and X-ray photoelectron spectroscopy (XPS) experiments. The Operando Diffused Reflec-tance Infrared Fourier Transform Spectroscopy were used to understand the variance in reaction pathway which is accredited to the textural properties of the support. The SBA-15 supported Ni catalyst followed dissociative CO pathway while MCM-41 and nMPS reacted through associative formate mechanism as major pathway. These findings provide a novel perspective on CO2 hydrogenation over Ni-silica, allowing us to tune both activity and selectivity.

}, keywords = {CO2 methanation, DRIFTS, Mesoporous silica support, Textural properties}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.121692}, author = {Cherevotan, Arjun and Ray, Bitan and Churipard, Sathyapal R. and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {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 {48054, title = {Integrated chemo and bio-catalyzed synthesis of 2,5-furandicarboxylic acid from fructose derived 5-hydroxymethylfurfural}, journal = {Biomass \& Bioenergy}, volume = {161}, year = {2022}, month = {JUN}, pages = {106474}, type = {Article}, abstract = {

Biomass being a renewable source of energy, has emerged as an attractive target for manufacturing valuable products. These possibilities can be explored to meet the current need for degradable plastic, 2,5-furandicarboxylic acid (FDCA). Integration of chemical and biological approaches for direct biomass conversion into FDCA was evaluated in this study. 5-hydroxymethylfurfural (5-HMF) was chemo-catalytically obtained from fructose using recyclable amberlyte IR-120 as a catalyst with \>98\% purity. Klebsiella oxytoca NCIM 2694 bacterial strain showed the potential of converting 98\% of 5-HMF into FDCA with 58\% selectivity at 96 h. With optimized conditions of pH 7, 37 degrees C, 2 g whole cells, we reported 99\% 5-HMF conversion to FDCA with 95\% selectivity at 72 h and 2667 mg L-1 yield, with 39 mg L-1 h-1 productivity. This is the highest yield obtained with the substrate concentration as high as 3000 mg L-1 reported till date. While the bacterial tolerance to 5-HMF observed was for the highest 5-HMF concentration of 4000 mg L-1, with 99\% conversion however, compromising the FDCA yield to 2447 mg L-1 and 32 mg L-1 h-1 productivity. Atom economy of 85\% and E factor of 17.71 g g-1 was obtained as a measure of its efficiency and sustainability of the process. The developed process will decrease the cost by excluding any extra nutrient supplement, complete substrate utilization, highest FDCA selectivity/productivity and higher tolerance by K. oxytoca, sequentially catalyzing the oxidations by a single route for FDCA synthesis from renewables.

}, keywords = {biocatalysis, Biodegradable polyester, Biomass, Platform chemical, Sustainability metrics}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2022.106474}, author = {Parate, Roopa D. and Dharne, Mahesh S. and Rode, V. Chandrashekhar} } @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 {47599, title = {Interrupted CuAAC-thiolation for the construction of 1,2,3-triazole-fused eight-membered heterocycles from O-/N-propargyl derived benzyl thiosulfonates with organic azides}, journal = {Advanced Synthesis \& Catalysis}, volume = {364}, year = {2022}, month = {JAN}, pages = {319-325}, type = {Article}, abstract = {A copper(I)-catalyzed interrupted click-sulfenylation of O-/N-propargyl benzyl thiosulfonates with organic azides has been disclosed. The unified CuAAC-thiolation provides a wide range of triazole-fused eight-membered heterocycles in good to high (51-94\%) yields under mild reaction conditions. Moreover, a three-component reaction is also achieved involving O-/N-propargyl benzyl thiosulfonates, benzyl bromide, and sodium azide to deliver fused-triazoles in 61-74\% yields. From a synthetic point of view, the present protocol has been demonstrated at gram-scale reactions. A plausible mechanism is also proposed based on experimental results and control experiments.}, keywords = {Eight-Membered Heterocycles, Fused-Triazoles, Interrupted-Click Reaction, Thiolation, thiosulfonates}, issn = {1615-4150}, doi = {10.1002/adsc.202101256}, author = {Reddy, Raju Jannapu and Waheed, Md and Kumari, Arram Haritha and Krishna, Gamidi Rama} } @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 {47935, title = {Ionic liquids for the sustainable transformation of levulinic acid to gamma-valerolactone (GVL)}, journal = {Current Opinion in Green and Sustainable Chemistry}, volume = {35}, year = {2022}, month = {JUN}, pages = {100607}, type = {Article}, abstract = {

This short review is focused on recent findings on the role of ionic liquids (ILs) in catalysing the hydrogenation of levulinic acid (LA) to gamma valerolactone (GVL), which is a cascade reaction involving more than one type of reaction. A brief introduction on green aspects of IL as a catalyst followed by various types of ILs being used for hydrogenation of LA to GVL are discussed. The unique characteristics of ILs responsible for hydrogenation reaction are also explained along with the current and upcoming scenario of IL catalysed hydrogenation of LA to GVL.

}, keywords = {Biomass, Gamma valerolactone, Hydrogenation, Ionic liquid, levulinic acid}, issn = {2452-2236}, doi = {10.1016/j.cogsc.2022.100607}, author = {Kondawar, Sharda and Rode, Chandrashekhar} } @article {48371, title = {Iridium-catalyzed synthesis of pyrazolone fused 1,4-dihydrocinnolin-3-one employing alpha-diazotized Meldrum{\textquoteright}s acid}, journal = {ARKIVOC}, year = {2022}, month = {JAN}, pages = {179-190}, type = {Article}, abstract = {

The [Iri-catalysed carbenoid insertion and cyclization of N-arylpyrazolones has been carried out with alpha-diazotized Meldrum{\textquoteright}s acid to access tricyclic pyrazolone fused 1,4-dihydrocinnolin-3-one derivatives. Further, the selective reduction of these tricyclic derivatives has been studied under Birch reduction conditions.

}, keywords = {?-diazotized Meldrum{\textquoteright}s acid, C-H activation, carbene Insertion, cinnoline derivatives, N-arylpyrazolones, [Iri-Catalysis}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p011.841}, author = {Kulkarni, Anand M. and Mullapudi, Venkannababu and Ramana, Chepuri Venkata} } @article {48365, title = {K3PO4-promoted cycloannulation of (E)-beta-Iodovinyl Sulfones with ortho-Hydroxy-chalcones/cinnamates for the synthesis of 2,3,4-trisubstituted 4h-benzopyran derivatives}, journal = {Advanced Synthesis \& Catalysis}, volume = {364}, year = {2022}, month = {DEC }, pages = {4080-4087}, type = {Article}, abstract = {

K3PO4-mediated cycloannulation of (E)-beta-iodovinyl sulfones with ortho-hydroxy chalcones/ortho-hydroxy cinnamates has been realized to access 2,3,4-trisubstituted-4H-benzopyran derivatives. A metal-free tandem oxa-Michael addition and cycloannulation allows the diversity-oriented synthesis of the corresponding 3-sulfonyl-4H-benzopyrans in good to high yields. More importantly, one-pot three-component reaction between (E)-beta-iodovinyl sulfones, 2-hydroxybenzaldehydes, and phosphonium ylides has been established for the synthesis of 4H-chromene derivatives in moderate to good yields. Notably, this metal-free process features a broad substrate scope and easy elaboration into numerous multifaceted chromene products, including bioactive estrone-derivative. The present protocol is sustainable at the gram scale reactions, and post-synthetic applications were also demonstrated. A plausible mechanism is also presented on the basis of existing experimental results.

}, keywords = {(E)-beta-Iodovinyl sulfones, Benzopyrans, Cycloannulation, ortho-Hydroxy Chalcones, Sulfones}, issn = {1615-4150}, doi = {10.1002/adsc.202200763}, author = {Reddy, Raju Jannapu and Kumar, Jangam Jagadesh and Krishna, Gamidi Rama} } @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 {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 {47899, title = {Mechanistically guided one pot synthesis of phosphine-phosphite and its implication in asymmetric hydrogenation}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JAN}, pages = {e202101447}, type = {Article}, abstract = {

Although hybrid bidentate ligands are known to yield highly enantioselective products in asymmetric hydrogenation (AH), synthesis of these ligands is an arduous process. Herein, a one pot, atom-economic synthesis of a hybrid phosphine-phosphite (L1) is reported. After understanding the reactivity difference between an 0-nucleophile versus C-nucleophile, one pot synthesis of Senphos (L1) was achieved (72\%). When L1 was treated with [Rh], P-31 NMR revealed bidentate coordination to Rh. Senphos, in the presence of rhodium, catalyzes the AH of Methyl-2-acetamido-3-phenylacrylate and discloses an unprecedented turn over frequency of 2289, along with excellent enantio-selectivity (92\%). The generality is demonstrated by hydrogenating an array of alkenes. The AH operates under mild conditions of 1-2 bar H-2 pressure, at room temperature. The practical relevance of Ll is demonstrated by scaling-up the reaction to 1 g and by synthesizing DOPA, a drug widely employed for the treatment of Parkinson{\textquoteright}s disease. Computational insights indicate that the R isomer is preferred by 3.8 kcal/mol over the S isomer.

}, keywords = {asymmetric hydrogenation, catalysis, DOPA synthesis, One pot synthesis, Phosphine-phosphite ligand}, issn = {1434-193X}, doi = {10.1002/ejoc.202101447}, author = {Sen, Anirban and Kumar, Rohit and Pandey, Swechchha and Raj, K. Vipin and Kumar, Pawan and Vanka, Kumar and Chikkali, Samir H.} } @article {48127, title = {Metagenomic mining of Indian river confluence reveal functional microbial community with lignocelluloytic potential}, journal = {3 Biotech}, volume = {12}, year = {2022}, month = {JUN}, pages = {132}, type = {Article}, abstract = {

Microbial carbohydrate-active enzymes (CAZyme) can be harnessed for valorization of Lignocellulosic biomass (LCB) to value-added chemicals/products. The two Indian Rivers Ganges and the Yamuna having different origins and flow, face accumulation of carbon-rich substrates due to the discharge of wastewater from adjoining paper and pulp industries, which could potentially contribute to the natural enrichment of LCB utilizing genes, especially at their confluence. We analyzed CAZyme diversity in metagenomic datasets across the sacred confluence of the Rivers Ganges and Yamuna. Functional annotation using CAZyme database identified a total of 77,815 putative genes with functional domains involved in the catalysis of carbohydrate degradation or synthesis of glycosidic bonds. The metagenomic analysis detected similar to 41\% CAZymes catalyzing the hydrolysis of lignocellulosic biomass polymers- cellulose, hemicellulose, lignin, and pectin. The Beta diversity analysis suggested higher CAZyme diversity at downstream region of the river confluence, which could be useful niche for culture-based studies. Taxonomic origin for CAZymes revealed the predominance of bacteria (97\%), followed by archaea (1.67\%), Eukaryota (0.63\%), and viruses (0.7\%). Metagenome guided CAZyme diversity of the microflora spanning across the confluence of Ganges-Yamuna River, could be harnessed for biomass and bioenergy applications.

}, keywords = {CAZymes, Confluence (Sangam), Lignocellulosic, River Ganges, River Yamuna}, issn = {2190-572X}, doi = {10.1007/s13205-022-03190-7}, author = {Rajput, Vinay and Samson, Rachel and Yadav, Rakeshkumar and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @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 {48367, title = {Multi-purpose synthetic alpha-amino acid featuring coumarin and ureidopyrimidinone motifs on its backbone: Synthesis and peptide formation}, journal = {Tetrahedron Letters}, volume = {93}, year = {2022}, month = {MAR}, pages = {153695}, type = {Article}, abstract = {

Herein we report a synthetic a-amino acid featuring intensely fluorescent coumarin moiety and a strongly self-assembling ureidopyrimidinone (UPy) motif. This two-in-one synthetic amino acid, displaying both fluorescence and self-assembling property, has been synthesized in four easy steps starting from commercially available inexpensive starting materials. Suitably protected amino acid has been incorporated into various peptide sequences, following solution-phase peptide coupling protocols, to demonstrate its synthetic feasibility.(c) 2022 Elsevier Ltd. All rights reserved.

}, keywords = {Fluorescent amino acids, Fluorescent Peptides, Quadruple hydrogen bonding, Unnatural amino acids, Ureidopyrimidinone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2022.153695}, author = {Rashid, P. P. and Sanjayan, Gangadhar J.} } @article {48214, title = {MXenes: advances in the synthesis and application in supercapacitors and batteries}, journal = {Journal of Materials Research}, volume = {37}, year = {2022}, month = {NOV}, pages = {3865-3889}, type = {Review}, abstract = {

MXenes, the newest family member of the two-dimensional materials have been widely investigated for different applications, particularly in the energy storage realm. With regard to this, MXene precursors have attained widespread attention for the application in electrochemical energy storage devices especially supercapacitors and batteries. This review has comprehensively studied various synthesis strategies adopted for MXenes including the top-down and bottom-up approaches. The shift to renewable energy alternatives have focused on the electrochemical choices such as supercapacitors and batteries, the most common and relevant ones. Thus the application of MXenes and its composite in supercapacitors as electrodes have been analyzed along with its detailed mechanism and electrochemical performance. Several battery chemistries including lithium-ion, sodium-ion and other battery systems utilizing MXenes have also been discussed here. Thus the existing strategies, advancements, and drawbacks regarding the inclusivity of MXenes in the electrochemical energy systems of supercapacitors and batteries are reviewed in this article.

}, issn = {0884-2914}, doi = {10.1557/s43578-022-00770-4}, author = {Wasnik, Kundan and Pawar, Meenakshi D. and Raphael, Leya Rose and Pullanchiyodan, Abhilash and Shelke, V. Manjusha and Raghavan, Prasanth} } @article {48139, title = {Nanocellulose/melanin-based composites for energy, environment, and biological applications}, journal = {Journal of Materials Science}, volume = {57}, year = {2022}, month = {AUG}, pages = {14188-14216}, type = {Review}, abstract = {

Melanins, a class of brown-black pigments present in many natural sources, exhibit unique physical and chemical properties such as photoprotection, photoconductivity, metal ion chelation, free radical quenching, proton conductivity, and significant antimicrobial properties. These properties could be leveraged in various environmental and energy applications. However, their limited solubility makes them less amenable to processing. Over the last decade, there has been tremendous interest in developing synthetic analogs of melanin that are easy to dissolve and process. Nonetheless, melanins or their synthetic analogs cannot form mechanically robust free-standing films and fibers. This drawback could be partly circumvented by creating composites of melanin with nanocellulose, a nanomaterial derived from cellulosic biomass. Composites of melanins and nanocellulose offer an opportunity to utilize the functional aspects of melanin-like polymers in a mechanically stable nanocellulose network. This review attempts to capture the recent developments on this topic with special emphasis on technologically relevant applications.

}, issn = {0022-2461}, doi = {10.1007/s10853-022-07512-1}, author = {Ram, Farsa and Yadav, Prashant and Shanmuganathan, Kadhiravan} } @article {48415, title = {Noble-metal-free heterojunction photocatalyst for selective CO2 reduction to methane upon induced strain relaxation}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {JAN }, pages = {687-697}, type = {Article}, abstract = {

Sunlight-driven CO2 hydrogenation has drawn tremendous attention. However, selective CH4 formation via CO2 photoreduction is very challenging. Herein, we report a metal oxide semiconductor heterojunction consisting of BiVO4 and WO3 as a photocatalyst for the efficient conversion of carbon dioxide (CO2) selectively to methane (105 mu mol g(-1) h(-1)) under visible light in the absence of a sacrificial agent. Wise selection of the reaction medium and the strategically tuned heterojunction upon strain relaxation suppresses the competitive hydrogen generation reaction. The detailed photophysical, photoelectrochemical, and X-ray absorption spectroscopy studies pointed to the Z-scheme mechanism of electron transfer, which favors superior electron and hole separation compared to the individual components of the composite catalyst and other well-known photocatalysts reported for CO2 reduction. The observations are further corroborated by experimental diffuse reflectance infrared Fourier transform spectroscopy and theoretical density-functional theory calculations, which reveal that the heterojunction has a lower free-energy barrier for CO2 conversion to CH4 due to the larger stabilization of the *CH2O intermediate on the strain-relaxed heterojunction surface, in comparison to the pristine BiVO4 surface. The present work provides fundamental insights for constructing high-performance heterojunction photocatalysts for the selective conversion of CO2 to desired chemicals and fuels.

}, keywords = {CO2 reduction, heterostructure, methane, Photocatalysis, Z-scheme}, issn = {2155-5435}, doi = {10.1021/acscatal.1c04587}, author = {Das, Risov and Sarkar, Shreya and Kumar, Ritesh and Ramarao, Seethiraju D. and Cherevotan, Arjun and Jasil, Mohammed and Vinod, Chathakudath P. and Singh, Abhishek Kumar and Peter, Sebastian C.} } @article {47593, title = {Novel lignin as natural-biodegradable binder for various sectors-A review}, journal = {Journal of Applied Polymer Science}, volume = {139}, year = {2022}, month = {APR }, pages = {e51951}, type = {Review}, abstract = {Lignin functions as an essential polymer in plants that forms the plant body{\textquoteright}s structural framework. The natural glue holds the cellulosic fibers together in the plant body, thereby providing rigidity and strength. Despite this, lignin shows promising relevance for biomaterial production due to its abundance, nontoxic nature and biodegradability. Considerably, adhesive components were derived from petroleum, which is increasingly more expensive. Hence, lignin, the natural glue in plant materials, gained much popularity because of its phenolic nature, making it an attractive substitute for adhesives. Lignin-based binders are produced through phenols substitution in phenol-formaldehyde resins with lignin due to their similar structural framework. Many researchers have confirmed the multifunctional applications of lignin, such as wood adhesive in fiber board, plywood and particleboard, a binder in printed wiring boards, abrasive tools, epoxy asphalts, epoxy wood composites, 3D printing, adhesive hydrogels, soil suppressants, lignocellulosic paper and coatings. This review presents a comprehensive description of the utilization of lignin-based binders for different applications. The present work highlights the discussion on the various methods by which lignin can be used to replace synthetic binders. This review focuses on global research work introducing lignin in different chemical adhesives for a more cost-effective and less harmful alternative.}, keywords = {binder, biodegradable, lignin, multifunctional}, issn = {0021-8995}, doi = {10.1002/app.51951}, author = {Mili, Medha and Hashmi, Sayed Azhar Rasheed and Ather, Madeeha and Hada, Vaishnavi and Markandeya, Nishant and Kamble, Sanjay and Mohapatra, Mamata and Rathore, Sanjai Kumar Singh and Srivastava, Avanish Kumar and Verma, Sarika} } @article {47991, title = {Optimization of Liquid Organic Hydrogen Carrier (LOHC) dehydrogenation system}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {AUG}, pages = {28530-28547}, type = {Article}, abstract = {

In this paper, the perhydrodibenzyltoluene dehydrogenation flowsheet has been simulated. Modelling of the dehydrogenation reactor has been performed using the 1-D model. External and internal mass transfer resistances are also considered. Non-isothermal pellet condition has been considered for simulating the dehydrogenation reactor. The flowsheet simulation has been carried out in DW-Sim v 6.5.2 integrated with the reactor model coded in Python. NET. The dehydrogenation reactor is operated at a feed temperature between 523 K -613 K, a wall temperature of 623 K and 653 K, and a reactor pressure maintained at 1.2 atm. The amount of catalyst required for the perhydrodibenzyltoluene (PDBT) dehy-drogenation reactor is evaluated such that the conversion reaches 99\%. The process flowsheet has been simulated to produce 10 Nm(3)/hr of industrial-grade hydrogen. The effects of feed temperature, wall temperature, and hydrogen burner efficiency on various system requirements, including catalyst weight, energy supplied to the dehydrogenation reactor, areas of the heat exchanger, and hydrogen production from the reactor, have been discussed. Preliminary cost optimization based on the heat exchangers and catalyst at various feed temperatures, reactor wall temperature, and hydrogen burner efficiency has been carried out. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Dehydrogenation, DWSim, LOHC, Perhydrodibenzyltoluene, Python, simulation}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.06.197}, author = {Rao, Nihal and Lele, Ashish K. and Patwardhan, Ashwin W.} } @article {48409, title = {Overview of erythritol production by yeast strains}, journal = {Fems Microbiology Letters}, volume = {369}, year = {2022}, month = {NOV}, pages = {fnac107}, type = {Review}, abstract = {

Erythritol is a 4-carbon polyol produced with the aid of microbes in presence of hyper-osmotic stress. It is the most effective sugar alcohol that is produced predominantly by fermentation. In comparison to various polyols, it has many precise functions and is used as a flavor enhancer, sequestrant, humectant, nutritive sweetener, stabilizer, formulation aid, thickener, and a texturizer. Erythritol production is a common trait in a number of the yeast genera viz., Trigonopsis, Candida, Pichia, Moniliella, Yarrowia, Pseudozyma, Trichosporonoides, Aureobasidium, and Trichoderma. Extensive work has been carried out on the biological production of erythritol through Yarrowia, Moniliella, Candida, and other yeast strains, and numerous strategies used to improve erythritol productivity through mutagenesis and genetic engineering are discussed in this review.

}, keywords = {Erythritol, erythrose reductase, hyperosmotic stress response, metabolic pathways, Yeast, yeast expression}, issn = {0378-1097}, doi = {10.1093/femsle/fnac107}, author = {Khatape, Anil B. and Dastager, Syed G. and Rangaswamy, Vidhya} } @article {48068, title = {Postmodification of voxelotor (GBT 440) via [Rh]-catalyzed cross dehydrogenative coupling with olefins br}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {77}, year = {2022}, month = {DEC}, pages = {129022}, type = {Article}, abstract = {

The directed Rh(III)-catalyzed cross dehydrogenative coupling of the pyrazole unit of the GBT-440 scaffold has been explored with simple as well as conjugated olefins to synthesize post-functionalized GBT-440 analogues. The screening of these synthesized compounds for improving the oxygen binding efficiency of the hemoglobin isolated from the sickled red blood cells revealed that some of these compounds are as good as GBT-440.

}, keywords = {CDC Coupling, GBT-440 (Voxelotor), Rh(III) catalysis, sickle cell anemia}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2022.129022}, author = {Kalshetti, Rupali G. and Rajput, Raveena and Motiwala, Zenia and Reddy, D. Srinivasa and Kulkarni, Kiran A. and V. Ramana, Chepuri} } @article {48402, title = {Post-polymerization modifiable aromatic (co)poly(ether sulfone)s possessing pendant norbornenyl groups based upon a new bisphenol}, journal = {European Polymer Journal}, volume = {176}, year = {2022}, month = {AUG }, pages = {111431}, type = {Article}, abstract = {

A new bisphenol possessing pendant norbornenyl group viz., 4, 4 {\textquoteleft}-(bicyclo (2.2.1) hept-5-en-2 yl methylene) bis (2-methoxyphenol) (BPA-NB) was synthesized by a single-step base-catalyzed condensation reaction of 5-norbor-nene-2-carboxaldehyde with guaiacol. NMR spectral data indicated formation of BPA-NB comprising of isomeric components. A series of (co)poly(ether sulfone)s possessing pendant norbornenyl groups was synthesized by nucleophilic aromatic substitution polycondensation of varying molar ratio of BPA-NB and bisphenol-A (BPA) with bis(4-fluorophenyl) sulfone. Inherent viscosity values and number average molecular weights of (co)poly (ether sulfone)s were in the range 0.67-1.01 dL/g and 75,400-1,16,300 g/mol, respectively indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)poly(ether sulfone)s. (Co)poly(ether sulfone)s were characterized using FT-IR, H-1 NMR and C-13 NMR spectroscopy, XRD, TGA and DSC analysis. The formation of random copoly(ether sulfone)s was demonstrated by( 13)C NMR analysis. The incorporation of BPA-NB into (co)poly(ether sulfone)s resulted into improvement in Tg values. BPA-NB-based (co)poly(ether sulfone)s offered possibilities for post -modifications involving either methoxyl or norbornenyl groups. A representative copoly(ether sulfone) (PSU-NB-2) possessing pendant norbornenyl groups was chemically modified via thiol-ene reaction with three representative thiol compounds, namely, 1-dodecanethiol, 2-furanmethanethiol and 2-mercaptoethanol to yield corresponding post-modified polymers in a quantitative manner. Additionally, it was demonstrated that copoly (ether sulfone) possessing pendant norbornenyl groups could be used to form insoluble cross-linked gel in the presence of a multifunctional thiol cross-linker.

}, keywords = {(Co)poly(ether sulfone)s, bisphenol, Cross -linking, Pendant norbornenyl groups, Thiol-ene reaction}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111431}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {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 {48160, title = {Ready access to benzannulated [5,5]-oxaspirolactones using Au(III)-catalyzed cascade cyclizations}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3025-3041}, type = {Article}, abstract = {

This work showcases an unprecedented Au(III)-catalyzed cascade cyclization of 2-(4-hydroxyalkynyl)benzoates to access benzannulated [5,5]-oxaspirolactones related to biologically active natural products. This reaction proceeds through an initial 5-endo-dig mode of hydroalkoxylation of the alkynol segment to give the oxocarbenium species (via cyclic enol-ether) followed by the addition of carboxylate onto the oxocarbenium that delivers the oxaspirolactone scaffold. While testing this method{\textquoteright}s scope, we found that the steric and electronic environment of the hydroxyl group could alter the reaction pathway that delivers isochromenone through a competitive 6-endo-dig mode of attack of the carboxylate onto the tethered alkyne.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02843}, author = {Mankad, Yash and Thorat, Sagar S. and Das, Pronay and Krishna, Gamidi Rama and Kontham, Ravindar and Reddy, D. Srinivasa} } @article {48143, title = {Ready access to densely substituted furans using Tsuji-Wacker type cyclization}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {JAN }, pages = {556-568}, type = {Article}, abstract = {

A competent method for the construction of highly substituted furans catalyzed by Pd(II) and Cu(II) chloride has been developed. The method provides easy access to di-, tri-, and tetrasubstituted furans from corresponding diols with relatively mild conditions in a unified strategy. The developed method has been successfully tested with more than 25 substrates, which resulted in furans of multiple substitution patterns with up to 84\% isolated yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02567}, author = {Masal, Dattatraya P. and Choudhury, Rahul and Singh, Aman and Reddy, D. Srinivasa} } @article {48378, title = {Rediscovering Bacon{\textquoteright}s hydrazine/phenylhydrazine mediated cyclization of 2,2 {\textquoteleft}-dicarbonylbi(hetero)aryls: construction of (5-azo)-/indazolo[2,3-a]quinolines}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JAN}, pages = {636-648}, type = {Article}, abstract = {

Hydrazine/phenylhydrazine-mediated reductive dicarbonyl coupling reactions have been carried out under mild conditions to provide polycyclic aromatic compounds and azo-substituted polyaromatic compounds. This method has a broad substrate scope with good functional group compatibility.

}, issn = {1477-0520}, doi = {10.1039/d1ob02207e}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @article {48065, title = {Reduction of carbon dioxide to dimethylformamide using ruthenium doped Mg/Al hydrotalcites under supercritical conditions}, journal = {Journal of CO2 Utilization}, volume = {61}, year = {2022}, month = {JUL}, pages = {102055}, type = {Article}, abstract = {

The utilization of carbon dioxide is one of the developing areas due to its significant contribution to global warming. Reducing carbon dioxide (CO2) to formic acid and its derivatives has gained importance because of its thermodynamic limitations and high industrial demand. In this article, we report the synthesis of dime-thylformamide (DMF) using ruthenium doped Mg/Al calcined hydrotalcite by CO2 hydrogenation in the presence of dimethylamine (DMA). At optimized conditions, complete conversion of dimethylamine was achieved with more than 92\% product yield at 170 degrees C and 13 MPa pressure with a reaction time of 6 h. Key catalyst properties were determined using X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), CO2-temper-ature programmed desorption (TPD), H-2 temperature-programmed reduction (TPR) and Fourier transform infrared (FTIR). The determination of surface morphology was carried out using field emission scanning electron microscope (FE-SEM) and high-resolution transmission electron microscopy (HR-TEM). At the same time, the chemical composition was verified by energy-dispersive X-ray (EDS). In addition, kinetic modeling is performed using the two site Langmuir-Hinshelwood-Hougen-Watson model. The regressed kinetic parameters gave an appropriate fit with experimental concentration values and activation energy is calculated as 413 kJ/mol K-1.

}, keywords = {Dimethylformamide, Hydrogenation, hydrotalcite, Langmuir-Hinshelwood-Hougen-Watson model, Supercritical carbon dioxide}, issn = {2212-9820}, doi = {10.1016/j.jcou.2022.102055}, author = {Chaudhary, Sagar D. and Rahatade, Shardul S. and Joshi, Sunil S. and Mali, Nilesh A.} } @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 {48053, title = {Review on non-noble metal catalysts for glycerol hydrodeoxygenation to 1,2-propanediol with and without external hydrogen}, journal = {Green Chemistry}, volume = {24}, year = {2022}, month = {SEP}, pages = {6751-6781}, type = {Review}, abstract = {

The depleting petroleum oil resources, political embargos, and global warming dilemma have made it mandatory to develop alternative green technologies for energy and chemical production. Glycerol is one of the top-12 building block chemicals that can be mainly obtained as a coproduct of biodiesel production. The value addition of glycerol is only possible through its conversion to commodity and fine chemicals. Glycerol hydrogenolysis is one of the crucial pathways to produce several value-added products, among which 1,2-propanediol (1,2-PDO), 1,3-propanediol (1,3-PDO), ethylene glycol (EG) and 1-and/or 2-propanols are hydrogenolysis products. Selective glycerol hydrogenolysis to the desired product 1,2-PDO is only possible through the catalyst having an optimum combination of acid/base and metal sites (metallic and mixed oxides). The present review mainly focuses on the critical assessment of the influence of different supports, catalyst preparation methods, and/or pretreatment on structural, and electronic properties and simultaneously on the activity and product selectivity of non-noble metal catalysts. The role of reaction parameters in this industrially important reaction on catalyst performance will also be presented. A rigorous survey of patented literature on non-noble metal-catalyzed glycerol hydrogenolysis to 1,2-PDO is also discussed. Further, the review covers recent progress on non-noble metal-catalyzed autogenous glycerol hydrogenolysis through glycerol aqueous phase reforming (APR) and/or catalytic transfer hydrogenolysis (CTH), to overcome the cost and handling issues of external hydrogen. Finally, techno-economic analysis is also presented which compares the glycerol hydrogenolysis with and without external hydrogen with the conventional process of 1,2-PDO production. This analysis indicated that CTH and glycerol hydrogenolysis under ambient hydrogen pressure have the potential for commercialization, however catalyst stability and elimination of co-product formation at higher glycerol concentration need to be considered critically.

}, issn = {1463-9262}, doi = {10.1039/d2gc01879a}, author = {Mane, Rasika and Jeon, Yukwon and Rode, Chandrashekhar} } @article {48216, title = {Role of 2D material families in energy harvesting: an editorial overview}, journal = {Journal of Materials Research}, volume = {37}, year = {2022}, month = {NOV }, pages = {3857-3864}, type = {Article}, abstract = {

The ever increasing proportion of an energy consuming society and the boost in industrialization accelerated the depletion of fossil fuel based energy sources at an alarming rate. This emphasizes the necessity of sustainable energy generation and storage to meet the daily energy demands. But, these alternative renewable energy sources like solar and wind power are intermittent and highly depend on weather, place and individuals. This creates the inevitability of suitable energy storage devices like batteries and supercapacitors. The interfacing of energy storing devices is required to maintain the supply chain equilibrium, power efficiency, regulate power fluctuations and reduce pollution. Besides, the boom in electric mobility and consumer electronics also require uninterrupted power supply. Hence, in the upcoming years the energy storing devices play a vital role in addressing the energy crisis. Innovations in new materials and technologies will be the core area of research and development in the coming future. 2D materials like graphene,transition metal carbides and nitrides (MXenes), transition metal borides (MBenes) and so on are the new class of materials among them MXenes are getting more attention in energy storage owing to its exceptional properties.

}, issn = {0884-2914}, doi = {10.1557/s43578-022-00721-z}, author = {Raghavan, Prasanth and Ahn, Jou-Hyeon and Shelke, Manjusha} } @article {48351, title = {Small molecule quercetin binds MALAT1 triplex and modulates its cellular function}, journal = {Molecular Therapy-Nucleic Acids}, volume = {30}, year = {2022}, month = {DEC}, pages = {241-256}, type = {Article}, abstract = {

The triple-helix structure at the 30 end of metastasis-associated lung adenocarcinoma transcript 1 (MALAT1), a long non -cod-ing RNA, has been considered to be a target for modulating the oncogenic functions of MALAT1. This study examines the binding of quercetin-a known triplex binding molecule-to the MALAT1 triplex. By employing UV-visible spectroscopy, circular dichroism spectroscopy, and isothermal titration calo-rimetry, we observed that quercetin binds to the MALAT1 triplex with a stoichiometry of 1:1 and Kd of 495 +/- 61 nM, along with a negative change in free energy, indicating a spontaneous interaction. Employing real-time PCR measurements, we observed around 50\% downregulation of MALAT1 transcript levels in MCF7 cells, and fluorescence in situ hybridization (FISH) experiments showed concomitantly reduced levels of MALAT1 in nuclear speckles. This interaction is likely a result of a direct interaction between the molecule and the RNA, as indicated by a transcription-stop experiment. Further, tran-scriptome-wide analysis of alternative splicing changes induced by quercetin revealed modulation of MALAT1 downstream genes. Collectively, our study shows that quercetin strongly binds to the MALAT1 triplex and modulates its functions. It can thus be used as a scaffold for further development of ther-apeutics or as a chemical tool to understand MALAT1 func-tions.

}, issn = {2162-2531}, doi = {10.1016/j.omtn.2022.09.016}, author = {Rakheja, Isha and Ansari, Asgar Hussain and Ray, Arjun and Joshi, Dheeraj Chandra and Maiti, Souvi} } @article {48234, title = {SNP discovery and structural insights into OeFAD2 unravelling high oleic/linoleic ratio in olive oil}, journal = {Computational and Structural Biotechnology Journal}, volume = {20}, year = {2022}, month = {JUL}, pages = {1229-1243}, type = {Article}, abstract = {

Fatty Acid Desaturase 2 (FAD2), a key enzyme in the fatty acid biosynthesis pathway, is involved in the desaturation and conversion of oleic acid to linoleic acid. Therefore, it plays a crucial role in oleic/linoleic acid ratio and the quality of olive oil. DNA sequencing of 19 FAD2 genes from a set of olive oil varieties revealed several single-nucleotide polymorphisms (SNPs) and highlighted associations between some of the SNPs and saturated fatty acids contents. This was further confirmed by SNP-interaction and machine learning approach. Haplotype diversity analysis led to the discovery of three highly polymorphic SNPs and four haplotypes harboring differential oleic/linoleic acid ratios. Moreover, a combination of molecular modeling and docking experiments allowed a deeper and better understanding of the structure-function relationship of the FAD2 enzyme. Sequence patterns and variations involved in the regulation of the FAD2 activity were also identified. Furthermore, S82C and H213N substitutions in OeFAD2 make the Oueslati variety more interesting in terms of fatty acid profile and oleic acid level. (C) 2022 The Authors. Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology.

}, keywords = {docking, Fatty acid desaturase, Haplotype, machine learning, Oleic/linoleic acid ratio, Protein structure}, issn = {2001-0370}, doi = {10.1016/j.csbj.2022.02.028}, author = {Ben Ayed, Rayda and Moreau, Fabienne and Ben Hlima, Hajer and Rebai, Ahmed and Ercisli, Sezai and Kadoo, Narendra and Hanana, Mohsen and Assouguem, Amine and Ullah, Riaz and Ali, Essam A.} } @article {48001, title = {Solvent-driven mono- and bis-sulfenylation of (E)-beta-iodovinyl sulfones with thiols for flexible synthesis of 1,2-thiosulfonylalkenes and 1,2-dithioalkenes}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3934-3951}, type = {Article}, abstract = {

The nature of solvent is a key factor for stereoselective mono-and bis-thiolation of (E)-beta-iodovinyl sulfones with thiols under basic conditions. A novel and unprecedented vicinal bisthiolation of (E)-beta-iodovinyl sulfones with thiols under the influence of K2CO3/DMSO at room temperature for quick assembly of (E)-1,2-dithio-1-alkenes is presented. Solvent-induced stereoselective monosulfenylation of (E)-beta-iodovinyl sulfones with thiols has also been established for the synthesis of both (E)- and (Z)-1,2-thiosulfonylethenes in MeCN and MeOH, respectively. Moreover, K2CO3-mediated desulfonylative-sulfenylation of (Z)-1,2-thiosulfonylethenes with thiols in DMSO furnished unsymmetrical (Z)-1,2-dithio-1-alkenes for the first time. The solvent-dependent versatile reactivity of (E)-beta-iodovinyl sulfones has been successfully explored to provide a set of (E)-/(Z)-1,2-dithio-1-alkenes and (E)-/(Z)-1,2-thiosulfonyl-1-alkenes in good to high yields with excellent stereoselectivities. Notably, this operationally simple process utilizes a broad substrate scope with good functional group tolerance and compatibility. The efficacy of the process has been proven for gram-scale reactions, and plausible mechanistic models are outlined on the basis of experimental results and control experiments.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02444}, author = {Reddy, Raju Jannapu and Kumari, Arram Haritha and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48168, title = {Statistical optimization of media for enhancing intracellular lipid content in Yarrowia lipolytica NCIM 3589 grown on waste cooking oil for biodiesel production}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {55-56}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Jagtap, Shubhangi Ramling and RaviKumar, Ameeta and Raut, Gouri and Kumar, V. Ravi} } @article {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 {48008, title = {Studies toward the total synthesis of (+)-neopeltolide using N-heterocyclic carbene-catalyzed oxo-acyloxylation/reductive oxa-Michael addition strategy}, journal = {Bulletin of the Korean Chemical Society}, volume = {43}, year = {2022}, month = {OCT}, pages = {1169-1172}, type = {Article}, abstract = {

This article describes a concise synthesis of two important fragments (tetrahydropyran [THP] and ketone moieties) of the cytotoxic macrolide (+)-neopeltolide in 10 long linear steps in enantiomerically pure form. Asymmetric Keck allylation to install the required C11 and C13 stereocenters, N-heterocyclic carbene (NHC)-catalyzed oxoacyloxylation to functionalize alkenes, and reductive oxa-Michael addition to construct 2,6-difunctionalized THP unit intramolecularly are the important steps in synthetic efforts. Finally, Keck asymmetric allylation and Lewis acid-catalyzed diastereoselective allylation of the aldehyde were sequentially employed to establish the stereocenters at C11 and C13 positions, respectively.

}, keywords = {(+)-neopeltolide, Keck allylation, Macrolide, NHC-catalyzed oxoacyloxylation, reductive oxa-Michael addition}, issn = {0253-2964}, doi = {10.1002/bkcs.12604}, author = {Reddi, Rambabu N. and Sudalai, Arumugam and Jo, Changbum} } @article {48149, title = {Substitution at sp(3) boron of a six-membered NHC center dot BH3: convenient access to a dihydroxyborenium cation}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR }, pages = {3783-3786}, type = {Article}, abstract = {

Herein, we have undertaken the synthesis and investigated the reactivity of a 6-membered saturated NHC borane adduct (1). Direct electrophilic halogenation of 1 with a stoichiometric amount of I-2 led to NHC boryl iodides, 6-SIDipp center dot BH2I (2) and 6-SIDipp center dot BHI2 (3), which were further reacted with various nucleophiles to give novel 6-SIDipp based mono and disubstituted boranes with OTf (4 and 6) or ONO2 (5 and 7) functional groups. The addition of Br-2/H2O to 1 smoothly results in a dihydroxyborenium cation (8).

}, issn = {1359-7345}, doi = {10.1039/d1cc06816d}, author = {Kundu, Gargi and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48043, title = {Substrate induced dynamical remodeling of the binding pocket generates GTPase specificity in DOCK family of guanine nucleotide exchange factors}, journal = {Biochemical and Biophysical Research Communications}, volume = {631}, year = {2022}, month = {NOV}, pages = {32-40}, type = {Article}, abstract = {

Dedicator of cytokinesis (DOCK) family of guanine nucleotide exchange factors (GEFs) activate two members of Rho family GTPases, Rac1/Cdc42, to exert diverse cellular processes, including cell migration. As DOCK GEFs have been critically implicated in tumour cell migration, understanding their function and specificity is imperative for designing anti-metastatic drugs. Based on their GTPase specificity they have been classified as Rac, Cdc42 and dual specific GEFs. Despite extensive structural studies, the factors that determine GTPase specificity of DOCK GEFs have remained elusive. Here, we show that subtle dynamical coupling between GEF and GTPase structures modulate the binding interface to generate mutual spec-ificity. To cluster the dynamically coupled residues in GEF-GTPase complexes a novel intra-residue backbone-torsion-angles based mutual information (TMI) technique was employed. TMI was calcu-lated from 4500 trajectories obtained from a total of 4.5ms molecular dynamics simulations performed on members of all the three clades of DOCK GEFs. The obtained clusters suggest a specificity generation mechanism that involves optimization of the binding pocket for the crucial divergent residue at the 56th position of Rac/Cdc42 (FCdc42/WRac1). These clusters encompass five residues from the structural segment lobe C -a10 helix of the DOCK proteins and functional SWI region of GTPase, which induce orchestrated structural modulations to generate the specificity. Even the conserved residues from SWI region are seen to augment the specificity defining dynamical rearrangements. Furthermore, the pro-posed dynamical GTPase-DOCK GEF specificity model was verified using mutagenesis studies on Rac1 and dual GTPase specific Dock2 and Dock6, respectively. Thus the current study provides the generic substrate specificity determinants of DOCK GEFs, which are not apparent from the conventional struc-tural analysis.(c) 2022 Elsevier Inc. All rights reserved.

}, keywords = {Dedicator of cytokinesis, GTPase specificity, Guanine exchange factors, Molecular dynamics simulations, Mutual information, Rho GTPases}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2022.09.059}, author = {Roy, Debopriya and Sengupta, Durba and Kulkarni, Kiran} } @article {48131, title = {SUMOylation of dorsal attenuates Toll/NF-kappa B signaling}, journal = {Genetics}, volume = {221}, year = {2022}, month = {JUL }, type = {Article}, abstract = {

In Drosophila, Toll/NF-kappa B signaling plays key roles in both animal development and in host defense. The activation, intensity, and kinetics of Toll signaling are regulated by posttranslational modifications such as phosphorylation, SUMOylation, or ubiquitination that target multiple proteins in the Toll/NF-kappa B cascade. Here, we have generated a CRISPR-Cas9 edited Dorsal (DL) variant that is SUMO conjugation resistant. Intriguingly, embryos laid by dl(SCR) mothers overcome dl haploinsufficiency and complete the developmental program. This ability appears to be a result of higher transcriptional activation by DLSCR. In contrast, SUMOylation dampens DL transcriptional activation, ultimately conferring robustness to the dorso-ventral program. In the larval immune response, dl(SCR) animals show an increase in crystal cell numbers, stronger activation of humoral defense genes, and high cactus levels. A mathematical model that evaluates the contribution of the small fraction of SUMOylated DL (1-5\%) suggests that it acts to block transcriptional activation, which is driven primarily by DL that is not SUMO conjugated. Our findings define SUMO conjugation as an important regulator of the Toll signaling cascade, in both development and host defense. Our results broadly suggest that SUMO attenuates DL at the level of transcriptional activation. Furthermore, we hypothesize that SUMO conjugation of DL may be part of a Ubc9-dependent mechanism that restrains Toll/NF-kappa B signaling.

}, keywords = {Drosophila, haploinsufficiency, innate immunity, SUMO, transcription}, issn = {0016-6731}, doi = {10.1093/genetics/iyac081}, author = {Hegde, Sushmitha and Sreejan, Ashley and Gadgil, Chetan J. and Ratnaparkhi, Girish S.} } @article {48000, title = {Sustainable CO2 reduction on in (2)O(3 )with exclusive CO selectivity: catalysis and in situ valence band photoelectron spectral investigations}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {10}, year = {2022}, month = {MAR}, pages = {3521-3531}, type = {Article}, abstract = {

This study demonstrates a sustainable catalytic CO2 conversion to near 100\% CO selectivity at ambient pressure on In2O3. Critically, high CO yield could be observed at the cost of undesired methanation, using a lower than stoichiometric amount of hydrogen in the feed; 1:1 and 1:0.67 CO2:H-2 ratios exhibit 98-99.6\% CO selectivity with 25-38\% CO2 conversion between 773 and 873 K. CO2 and H-2 conversion under steady-state conditions at 773-873 K suggests a 1:1 ratio of adsorbed reactants (with 1:0.67 CO2:H-2 feed) on the catalyst surface, underscoring the presence of an ideal reactant composition for the reverse water-gas shift reaction, while H-2-rich feed compositions show the H-2-dominated surface. Surface electronic structure changes, under near-operating conditions, were explored with near ambient pressure photoelectron spectroscopy (NAPPES), and the interesting findings are as follows: (a) A shift in the valence band to lower binding energy, up to 0.6 eV, was observed because of electron filling at high temperatures. (b) An observation of heterogeneous nature of the catalyst surface under NAPPES measurement conditions is attributed to the generation of active oxygen vacancy (O-v) sites, which in turn changes the work function of In2O3. (c) The above changes are found to be reversible, when the reaction was stopped. Vibrational features of the reactant molecules were observed to be broadened in the active temperature window of the catalyst supporting the heterogeneous character of the catalyst surface because of dynamic O-v generation. By optimizing gas hourly space velocity, CO2:H-2 ratio, and reaction temperature, exclusive CO selectivity is possible with a H-2:CO2 ratio of similar to 0.67, which will avoid the product separation stage altogether, while minimizing the expensive H-2 in the reactant feed.

}, keywords = {heterogeneous catalysis, Oxygen vacancy, photoelectron spectroscopy, RWGS, Work function}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c07897}, author = {Mhamane, Nitin B. and Chetry, Sibo and Ranjan, Ravi and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article {47985, title = {Synthesis of central spiro-bis-THF fragments of symbiospirols A-C}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {JUL}, pages = {13738-13744}, type = {Article}, abstract = {

The gold catalysed alkynediol spiroketalization to assemble the central spiro-bis-THF fragments (C22-C33 and C36-C47) of symbiospirols A-C is documented. The adopted chiral pool approach employed commercially available d-glucose and l-malic acid in the synthesis of key building blocks. In addition, two other possible diastereomers have been synthesized in order to establish the relative stereochemistry of the unassigned THF-center of symbiospirols B/C.

}, issn = {1144-0546}, doi = {10.1039/d2nj02227c}, author = {Shinde, Mahesh H. and Kona, Chandrababu N. and Ramana, V. Chepuri} } @article {47760, title = {Synthesis of indeno-[1,2-b]-quinoline-9,11(6H,10H)-dione and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-dione derivatives in presence of heterogeneous Cu/zeolite-Y as a catalyst}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JAN }, pages = {2083-2093}, type = {Article}, abstract = {A simple method for the synthesis of indeno-[1,2-b]-quinoline-9,11-(6H,10H)-dione derivatives and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-diones through the reaction of aromatic aldehydes, indan-1,3-dione, dimedone, and p-toluidine/ammonium acetate in the presence of heterogeneous CuO supported on a zeolite-Y catalyst has been investigated in ethanol under reflux conditions. By this method, the reaction time has been reduced, giving an excellent yield of the product. The catalyst was prepared by a hydrothermal method followed by a wet impregnation method. The catalyst had shown Bronsted acid sites and Lewis acid sites. The used catalyst could be actively recycled with a marginal decrease in yield up to five recycles. The prepared catalyst was characterized by FT-IR, pyridine FT-IR, XRD, SEM, EDS, XPS, TEM, and BET surface area analysis. The synthesized compounds were characterized by FT-IR, H-1 NMR, C-13 NMR and GC-MS spectroscopy.}, doi = {10.1039/d1ra06637d}, author = {Dhengale, Shankar D. and Rode, V. Chandrashekhar and Kolekar, Govind B. and Anbhule, V. Prashant} } @article {48435, title = {Tailoring the properties of Ni(111)/graphone interfaces by intercalation of Al and Na: a DFT study}, journal = {C-Journal of Carbon }, volume = {8}, year = {2022}, month = {NOV}, type = {Article}, abstract = {

With the incredible discovery of graphene (Gr), all of the properties studied to date suggest that it has promising applications in the development of semiconductor, spintronic, insulating, and polymer materials. However, efforts are still underway to fully understand the nature of metal{\textendash}graphone(GrH) interaction in order to offer better scope for tuning the electronic and magnetic properties, which can be performed by intercalation of atoms via metal support on graphene. We chose metal atoms belonging to the s and p blocks, namely Na and Al, respectively, as the intercalating atoms. Herein, the maximum coverage of a monolayer of Na and Al was comparatively studied on a Ni(111) surface. Significant changes in the magnetic and electronic properties at the Ni(111)/graphone interface were observed upon intercalation. Of the two intercalating metal atoms, Na proved to be more effective, such that the magnetic properties of the surface Ni were only slightly decreased, and the graphone also showed better magnetic properties than in the absence of Na.

}, doi = {10.3390/c8040062}, author = {Archana, Ramakrishnan and Joshi, Niharika and Raja, Thirumalaiswamy} } @article {47730, title = {Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation}, journal = {Catalysis Science \& Technology}, volume = {12}, year = {2022}, month = {JAN }, pages = {310-319}, type = {Article}, abstract = {Design of efficient and low cost electrocatalysts for the reduction of N-2 molecule to NH3 in a green manner remains a great challenge in the 21st century. Herein, we have used density functional theory based first principle simulations to systematically investigate the nitrogen reduction reaction (NRR) ability of single, double, and triple Ta-atom catalysts anchored to C2N monolayer. Our results demonstrate that the single and triple Ta-atom catalysts anchored to C2N monolayer act as superior catalysts for the NRR via alternating and distal pathways as compared to the Ru(0001) stepped surface. In particular, the triple Ta-atom catalyst anchored to C2N shows enhanced NRR performance with a limiting potential of -0.72 V which is comparable to the experimentally reported Ru based single atom catalyst. Further, all the three catalysts were found to be highly selective for NRR with an enhanced ability to suppress the competitive hydrogen evolution reaction. Electronic structure analysis revealed that the enhanced ability of Ta-3@C2N catalyst to effectively capture and reduce N-2 molecule could be attributed to the built up of localized d states near the fermi level, thereby aiding in strong electron transfer into the antibonding orbitals of N-2. Thus, our findings propose a highly active catalyst for the NRR with an emphasis on the importance of triple atom-based catalysts for electrocatalytic applications.}, issn = {2044-4753}, doi = {10.1039/d1cy01292d}, author = {Rasool, Anjumun and Anis, Insha and Dixit, Mudit and Maibam, Ashakiran and Hassan, Afshana and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48033, title = {Thiocyanate- and thiol-functionalized p-doped quantum dot colloids for the development of bulk homojunction solar cells}, journal = {Energy Technology}, volume = {10}, year = {2022}, month = {SEP}, pages = {2200455}, type = {Article}, abstract = {

Progress in device engineering and surface passivation strategies has led to steady progress in colloidal quantum dot (QD) solar cells. Bulk homojunction (BHJ) device architecture has several advantages over the conventional planar junction in developing QD solar cells. Herein, surface ligand chemistry is utilized to control the doping type and dispersibility of oppositely doped PbS QDs to develop BHJ solar cells. Thiocyanate and thiol ligand combination is introduced to develop p-PbS QD ink, which is blended with halide-passivated n-PbS QDs to build BHJ solar cells. It is shown that BHJ solar cells are benefited from high energy offset and higher hole mobility. This leads to the superior carrier extraction from a thicker active layer without compromising fill factor and open circuit voltage. Power conversion efficiency has reached 10.7\% in 530 nm-thick BHJ solar cells, a 24\% improvement over the best performing planar solar cells. With the help of the 1D solar cell capacitance simulator, it is shown that a 15\% efficient QD solar cell can be realized by further improving the hole mobility above 0.1 cm(2) V-1 s(-1).

}, keywords = {bulk homojunctions, Doping, quantum dots, solar cells, surface functionalization}, issn = {2194-4288}, doi = {10.1002/ente.202200455}, author = {Dambhare, V. Neha and Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {48097, title = {Total synthesis of 12, 13-dibenzyl-banistenoside B and analogs}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {MAY}, pages = {e202200222}, type = {Article}, abstract = {

Banistenosides A and B possessing a unique {\textquoteleft}{\textquoteleft}azepino(1,2-a)tetrahydro-beta-carboline{\textquoteright}{\textquoteright} carbon framework were isolated from the stem of Banisteriopsis caapi and showed MAO-A inhibition. Herein, we report the total synthesis of dibenzyl derivative of the untouched natural product in the last two decades, Banistenoside B. The key steps involve construction of 6.5.6.7 tetracyclic core using Pictet-Spengler reaction and intramolecular amide coupling. The stereoselective glycation was achieved through Hotha{\textquoteright}s protocol using gold catalyst, and silver triflate in the late stage of synthesis. The stereochemistry of most of the essential compounds were confirmed by X-ray crystallography.

}, keywords = {Au-catalyst, Multiple steps total synthesis, Natural products, Pictet-Spengler reaction, Wittig reaction}, issn = {1434-193X}, doi = {10.1002/ejoc.202200222}, author = {Patil, Suhag S. and Jachak, Gorakhnath R. and Krishna, Gamidi Rama and Argade, Narshinha P. and Reddy, D. Srinivasa} } @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 {47040, title = {Two antibacterial spiro compounds from the roots of Artemisia pallens wall: evidence from molecular docking}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {MAY}, pages = {2465-2472}, type = {Article}, abstract = {

Bioassay-guided isolation from acetone extract of the roots of Artemisia pallens Wall yielded two spiro compounds (1 and 2). The structures of these compounds were determined on the basis of spectroscopic techniques such as IR, MS, 1 D and 2 D- NMR. The acetone extract, fractions and the isolated two compounds were investigated for their antibacterial activity against two gram negative (E. coli, P. aeruginosa) and two gram positive (S. aureus, B. subtilis) bacterial strains. Compound (2) showed the best spectra of activity with IC50 and MIC values between 2.48-3.08 and 12.78 - 21.77 mu M and Compound (1) with 2.57-3.69 and 38.17 - 80.57 mu M, respectively, for the four bacterial strains, whereas inactive against Mycobacterium tuberculosis. Molecular docking study could further help in understanding the various interactions between these compounds and DNA gyrase active site in detail and thereby could provide valuable insight into the mechanism of action.

}, keywords = {antibacterial activity, antimycobacterial activity, Artemisia pallens, Asteraceae, Molecular docking, spiro compound}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1902325}, author = {Honmore, Varsha S. and Natu, Arun D. and Khedkar, Vijay M. and Arkile, Manisha A. and Sarkar, Dhiman and Rojatkar, Supada R.} } @article {48011, title = {Understanding unfolding and refolding of the antibody fragments (Fab). II. Mapping intra and inter-chain disulfide bonds using mass spectrometry}, journal = {Biochemical Engineering Journal}, volume = {182}, year = {2022}, month = {MAY}, pages = {108439}, type = {Article}, abstract = {

Disulfide bond formation in recombinant protein therapeutics has a significant impact on the integrity and biological activity of the drug product. Formation of the disulfide linkage is the key rate-limiting step in in vitro refolding and overall manufacturing of the antibody fragments (Fab). This investigation is focused on mapping the intra, and inter-chain disulfide bonds in the in vitro refolded antibody fragments by using mass spectrometry (MS). Biosimilar rHu Ranibizumab and rHu Certolizumab expressed using E. coli were selected for the study. Both Fabs contain ten cysteine residues leading to two intra-chain disulfide bonds on each subunit and a single interchain disulfide linkage. rHu Certolizumab has an additional cysteine which is unpaired and used for pegylation. The amino acid sequence in the disulfide-bonded peptides was confirmed by Collision-induced dissociation (CID), Electron transfer dissociation (ETD) and High-energy collision dissociation (HCD). The light chain (LC) intra-chain disulfide is formed between Cys23-Cys88 and Cys134-Cys194 in both the Fabs. The heavy chain (HC) intra-chain disulfides are formed between Cys22-Cys96 and Cys150-Cys206 in rHu Ranibizumab. LC and HC subunits of rHu Ranibizumab are covalently linked by disulfide linkage formed between Cys214 of LC and Cys226 of HC. This study suggests that information from multiple MS platforms and orthogonal methods for peptide fragmentation can be effectively used to map disulfide linkages in biosimilar therapeutic proteins.

}, keywords = {Antibody fragments (Fab), Collision-induced dissociation, Electron transfer dissociation, High-energy collision dissociation, in vitro refolding, Ranibizumab}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108439}, author = {Nainwal, Neeraj and Chirmade, Tejas and Gani, Kayanat and Rana, Sunil and Bhambure, Rahul} } @article {47732, title = {Unraveling the reaction mechanism of selective C9 monomeric phenols formation from lignin using Pd-Al2O3-activated biochar catalyst}, journal = {Bioresource Technology}, volume = {344}, year = {2022}, month = {JAN}, pages = {126204}, type = {Article}, abstract = {The conversion of biomass-derived lignin to valuable monomeric phenols at high selectivity is of paramount importance for sustainable biorefineries. In this study, a novel Pd-Al2O3 supported on activated biochar catalyst is developed for lignin hydrogenolysis. The catalyst characterization revealed that the (1 1 1) planes of both of Pd-0 and Al2O3 were exposed to the surface. The maximum lignin conversion of 70.4\% along with high liquid yield (similar to 57 wt\%) was obtained at 240 degrees C, 3 h and 3 MPa H-2 pressure. The total monomeric phenols yield in the liquid was 51.6 wt\%, out of which C9 monomeric guaiacols constituted similar to 30.0 wt\% with 38.0\% selectivity to 4-propyl guaiacol. Using the reaction intermediate, coniferyl alcohol, chemoselective hydrogenation of C-alpha=C-beta is proved to occur over the Pd site, while dehydroxylation of C-gamma-OH is shown to occur over the alumina site. An impressive carbon atom economy of 60\% was achieved for the production of monomeric phenols.}, keywords = {Hydrogenolysis, lignin, Mechanism, Pd-Al/activated biochar, Propanol guaiacol, Propyl guaiacol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.126204}, author = {Gurrala, L. and Kumar, M. M. and Yerrayya, Attada and Kandasamy, Prabu and Castano, Pedro and Raja, T. and Pilloni, Giovanni and Paek, C. and Vinu, R.} } @article {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 {48078, title = {Visible light-promoted, photocatalyst-free C(sp(2))-H bond functionalization of indolizines via EDA complexes}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {MAY}, pages = {e202200261}, type = {Article}, abstract = {

The catalyst and additive-free, photo-driven cross dehydrogenative coupling (CDC) reaction initiated by electron donor-acceptor (EDA) complexes between electron rich indolizines and electron poor quinones has been demonstrated. This green transformation reveals the advantages of operational simplicity, mild reaction conditions and good functional group tolerances.

}, keywords = {Blue LED, CDC, EDA, Indolizine, Quinone}, issn = {1434-193X}, doi = {10.1002/ejoc.202200261}, author = {Mane, Kishor D. and Rupanawar, Bapurao D. and Suryavanshi, Gurunath} } @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 {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 {49001, title = {Antibacterial and anti-HIV metabolites from marine streptomyces albus MAB56 isolated from Andaman and Nicobar Islands, India}, journal = {Applied Biochemistry and Biotechnology}, volume = {195}, year = {2023}, month = {DEC}, pages = {7738-7754}, type = {Article}, abstract = {

Marine-derived actinobacteria have tremendous potential to produce novel metabolites with diverse biological activities. The Andaman coast of India has a lot of microbial diversity, but it is still a relatively unknown ecology for isolating novel actinobacteria with beneficial bioactive compounds. We have isolated 568 actinobacterial strains from mangrove rhizosphere sediments and sponge samples. Crude extracts from 75 distinct strains were produced by agar surface fermentation and extracted using ethyl acetate. In the disc diffusion method, 25 actinobacterial strains showed antimicrobial activity; notably, the strain MAB56 demonstrated promising broad-spectrum activity. Strain MAB56 was identified as Streptomyces albus by cultural, microscopic, and molecular methods. Conditions for bioactive metabolites from MAB56 were optimized and produced in a lab-scale fermenter. Three active metabolites (C1, C2, and C3) that showed promising broad-spectrum antimicrobial activity were isolated through HPLC-based purification. Based on the UV, FT-IR, NMR, and LC-MS analysis, the chemical nature of the active compounds was confirmed as 12-methyltetradecanoic acid (C1), palmitic acid (C2), and tridecanoic acid (C3) with molecular formulae C14H28O2, C16H32O2, and C13H26O2, respectively. Interestingly, palmitic acid (C2) also exhibited anti-HIV activity with an IC50 value of \< 1 mu g/ml. Our findings reveal that the actinobacteria from the Andaman marine ecosystems are promising for isolating anti-infective metabolites.

}, keywords = {actinobacteria, Andaman Islands, anti-HIV, Antibacterial, Bioactive metabolites}, issn = {0273-2289}, doi = {10.1007/s12010-023-04493-y}, author = {Manikkam, Radhakrishnan and Murthy, Sangeetha and Palaniappan, Sivasankar and Kaari, Manigundan and Sahu, Amit Kumar and Said, Madhukar and Ganesan, Vijayalakshmi and Kannan, Sivakumar and Ramasamy, Balagurunathan and Thirugnanasambandan, Somasundaram and Dastager, Syed G. and Hanna, Luke Elizabeth and Kumar, Vanaja} } @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 {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 {48743, title = {Bimetallic quantum dots (Cu-Pd, Ni-Pd) catalyzed reaction of bromo arenes with alkenes and aryl boronic acids}, journal = {Indian Journal of Chemistry}, volume = {62}, year = {2023}, month = {AUG}, pages = {843-848}, type = {Article}, abstract = {

Bimetallic quantum dots (Cu-Pd and Ni-Pd) are active ligand-free catalysts for the alkenylation and arylation of aryl bromides. The catalysts are easy to synthesize by benign green protocols and characterized by various techniques. The bimetallic QD catalysts synthesized thus are superior to Pd(OAc)2 or other Pd NP catalysis of alkenylation reactions of aryl bromides with similar E-selectivity. The reaction of aryl bromide with aryl boronic acid is facile with high yields.

}, keywords = {Aryl bromides, Bimetallic QDs catalysis, Cu-Pd, Mizoroki-Heck, Ni-Pd, Suzuki coupling}, issn = {0019-5103}, doi = {10.56042/ijc.v62i8.4769}, author = {Raut, Pallavi K. and Meroliya, Heena K. and Dumbre, Swapnil R. and Patil, Vaishali N. and Solanki, Bhanupratap S. and Waghmode, Shobha A. and Iyer, Suresh} } @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 {49004, title = {Chemically gradient hydrogen-bonded organic framework crystal film}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JUL }, type = {Article}, abstract = {

Hydrogen-bonded organic frameworks (HOFs) are ordered supramolecular solid structures, however, nothing much explored as centimetre-scale self-standing films. The fabrication of such crystals comprising self-supported films is challenging due to the limited flexibility and interaction of the crystals, and therefore studies on two-dimensional macrostructures of HOFs are limited to external supports. Herein, we introduce a novel chemical gradient strategy to fabricate a crystal-deposited HOF film on an in situ-formed covalent organic polymer film (Tam-Bdca-CGHOF). The fabricated film showed versatility in chemical bonding along its thickness from covalent to hydrogen-bonded network. The kinetic-controlled Tam-Bdca-CGHOF showed enhanced proton conductivity (8.3x10(-5) S cm(-1)) compared to its rapid kinetic analogue, Tam-Bdca-COP (2.1x10(-5) S cm(-1)), which signifies the advantage of bonding-engineering in the same system.

}, keywords = {Chemical Gradience, Crystal Films, Free-Standing Films, hydrogen-bonded organic framework, Interfacial Chemistry, proton conductivity}, issn = {1433-7851}, doi = {10.1002/anie.202304313}, author = {Mohammed, Abdul Khayum and Raya, Jesus and Pandikassala, Ajmal and Addicoat, Matthew A. and Gaber, Safa and Aslam, Mohamed and Ali, Liaqat and Kurungot, Sreekumar and Shetty, Dinesh} } @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 {48696, title = {Co3O4 for sustainable CO2 reduction and possible fine-tuning towards selective CO production}, journal = {Chemical Engineering Journal}, volume = {471}, year = {2023}, month = {SEP}, pages = {144459}, type = {Article}, abstract = {

Two main challenges involved in heterogeneous catalytic CO2 reduction are: (a) decreasing the consumption of H2 to the minimum required level with possibly the maximum CO2 conversion, and (b) concurrently enhancing the selectivity of the desired CO, at the cost of methane. Towards meeting these two challenges, Co3O4 spinel has been identified as a potential catalyst and it exhibits predominant CO selectivity \> 673 K at atmospheric pressure. CO2 conversion begins \> 523 K, with 100\% CO selectivity observed \> 673 K with CO2:H2 = 3:2. Current work shows a sustainable catalytic CO2 conversion to 100\% CO selectivity with Co3O4-Nanocube (NC). Critically, CO selectivity and yield is observed to increase at the cost of methane with smaller amount of H2. 1:1 and 3:2 CO2:H2 ratio exhibits 88-100\% CO selectivity with 24-32.5\% CO2 conversion between 623 and 823 K. Irrespective of the input CO2:H2, ratio of CO2:H2 uptake changes from around 1:3 at 523 K to 1:1-1.5 at 823 K with concurrent production of significant methane to predominant CO, respectively. Surface electronic state changes was explored by near ambient pressure photoelectron spectroscopy, and the results suggests that Co3O4 is the active phase that promotes CO2 reduction selectively to CO. Broadening observed with the vibrational feature of the CO2 molecules at high temperature underscores the heterogeneous character of the catalyst surface, under operating conditions, due to changing electron density. By optimizing the gas hourly space velocity (GHSV), H2-lean CO2:H2 ratio, and the reaction temperature/pressure, 100\% CO selectivity could be broadened to a range of operating conditions.

}, keywords = {Carbon neutral economy, heterogeneous catalysis, RWGS, SDG, Surface Science}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.144459}, author = {Ranjan, Ravi and Tekawadia, Jyoti and Jain, Ruchi and Mhamane, Nitin B. and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article {48812, title = {Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration}, journal = {CrystEngComm}, volume = {25}, year = {2023}, month = {OCT }, pages = {5565-5574}, type = {Article}, abstract = {

A multi-kinase inhibitor, pazopanib (PAZ) is cocrystallized with cyclooxygenase (COX) inhibitor fenamic acids to investigate the dissolution rate and inhibition of cell migration in VEGF-triggered HUVEC cells to test the efficacy of stoichiometric drug-drug combinations. Crystallization experiments at the sub-milligram level in an acetonitrile-methanol mixture yielded two drug-drug salt forms of PAZ with flufenamic acid (FFA) and niflumic acid (NFA) as PAZ+center dot FFA-center dot ACN (an acetonitrile solvate named as form I) and PAZ+center dot NFA-. Structures of the crystal forms were characterized by single crystal X-ray diffraction (SC-XRD) method. Crystal structures revealed that the presence of a 2-aminopyrimidine group in PAZ is a strong partner for the carboxyl group in all solid forms, forming an acidMIDLINE HORIZONTAL ELLIPSISpyrimidine heterosynthon with COX inhibitor fenamic acids. To perform dissolution experiments and cell line analysis, the scale-up of both salt forms were done in the acetonitrile-methanol mixture through crystallization, which showed a polymorphic transformation in the case of PAZ+center dot FFA-center dot ACN (an acetonitrile solvate named form II). The thermodynamic stability of PAZ+center dot FFA-center dot ACN (form II) and PAZ+center dot NFA- were analysed using slurry experiment under ambient conditions in pH 1.2 (0.1 N HCl) buffer medium and the residual solid phase was characterized by powder XRD, which showed that PAZ+center dot FFA-center dot ACN (form II) was a metastable solid form while PAZ+center dot NFA- was a stable solid form. The dissolution experiments at gastric pH 1.2 showed that the rate of dissolution of PAZ+center dot FFA-center dot ACN was 10 times higher than PAZ+center dot NFA-. The cell migration assay suggested that PAZ+center dot FFA-center dot ACN inhibited similar to 25\% and PAZ+center dot NFA- inhibited similar to 20\% migration of HUVEC cells compared to PAZ alone. These investigations suggested that the drug-drug salts PAZ+center dot FFA- and PAZ+center dot NFA- would be potential combo drug candidates for clinical trials. Multi-drug crystalline salts of pazopanib with fenamic acids exhibit enhanced dissolution and 20\% higher inhibition in the migration of HUVEC cells compared to the reference drug.

}, doi = {10.1039/d3ce00773a}, author = {Rai, Sunil K. and Gunnam, Anilkumar and Roy, Debopriya and Rajput, Raveena and Kulkarni, Kiran and Nangia, Ashwini K.} } @article {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 {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 {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 {48730, title = {Concise approach for the synthesis of the tetracyclic framework of Lycibarbarines A and B}, journal = {Tetrahedron Letters}, volume = {121}, year = {2023}, month = {MAY }, type = {Article}, abstract = {

A simple approach for the construction of the tetracyclic spiroketal skeleton of Lycibarbarine A and B has been described. Employing a solvent free condition for epoxide opening with tetrahydroquinoline as a key reaction to couple both the fragments, an oxidation followed by TBAF-mediated silyl deprotection spiroketalization establishes the complete tetracyclic core present in these natural products. (c) 2023 Elsevier Ltd. All rights reserved.

}, keywords = {Chiral pool approach, D -Glyceraldehyde, Tetracyclic spiroketal, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154493}, author = {Shet, Manoj N. and Nechooli, Hemanth K. and Ramana, Chepuri V.} } @article {48264, title = {Construction of the quinobenzoxazine core via gold-catalyzed dual annulation of azide-tethered alkynones with anthranils}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {MAR }, pages = {2127-2137}, type = {Article}, abstract = {

A new catalytic method for the construction of the quinobenzoxazine core has been developed employing the gold-catalyzed cyclization of o-azidoacetylenic ketones in the presence of anthranils. The overall process comprises of a gold-catalyzed 6-endo-dig cyclisation of o-azidoacetylenic ketone leading to a alpha-imino gold carbene and subsequent carbene transfer to anthranil leading to the 3-aryl-imino-quinoline-4-one intermediate, which undergoes 6 pi-electrocyclization and aromatization to form the central quinobenzoxazine core. This transformation provides a new approach to a diverse array of quinobenzoxazine structures, in addition to being scalable and having mild reaction conditions.

}, issn = {1477-0520}, doi = {10.1039/d3ob00098b}, author = {Halnor, Swapnil V. V. and Dhote, Pawan S. S. and Ramana, Chepuri V. V.} } @article {48813, title = {Continuous hydrogenation of cinnamaldehyde: gas-liquid-liquid-solid helical coil reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {AUG }, pages = {19250-19261}, type = {Article}, abstract = {

The advantages and challenges of using the gas-liquid-liquid-solid(GLLS) hydrogenation system are discussed in this work using the caseof selective hydrogenation of cinnamaldehyde to cinnamyl alcohol (animportant ingredient in the perfume and flavoring industry). The fourphases in this system include gas (hydrogen)-liquid (organic, reactant+ solvent)-liquid (aqueous KOH)-solid (5\% Pt/C catalyst). The additionof second liquid phase, i.e., aqueous KOH significantly increasesselectivity toward cinnamyl alcohol compared to the conventional three-phasehydrogenation. The four-phase GLLS reactions were carried out andoptimized in a continuous helical coil reactor. The role of key aspectssuch as gas solubility, kinetics, flow hydrodynamics, axial dispersion,and mass transfer on the performance of a continuous GLLS reactoris presented and discussed in this work. The presented results anddiscussion will be useful for addressing conflicting demands likelong residence time, low axial dispersion, and high mass transfer.The experimental studies and results of the developed mathematicalmodel indicate that the continuous GLLS helical coil reactor outperformsthe batch operation. The production rates (kg day(-1)) of cinnamyl alcohol achieved in continuous operation were at leastdouble in comparison to batch operation, with 32\% less consumptionof precious catalyst (per kg of product). The presented results will open up new opportunities for enhancing selectivity and overall performanceof hydrogenations via introducing a second immiscible liquid phaseand designing continuous tubular reactors for the same.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c00841}, author = {Khan, Muzammil Y. and Joshi, Sunil S. and Ranade, Vivek V.} } @article {48772, title = {Conversion of benzyl phenyl ether to monoaromatics in high-temperature aqueous ethanol solution under high-pressure carbon dioxide conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL}, pages = {12561-12569}, type = {Article}, abstract = {

Solvolysis of benzyl phenyl ether (BPE), which is a model compound of lignin ether linkage, was studied in an aqueous ethanol solution, which can be obtained from bioethanol, under high-pressure carbon dioxide conditions. A batch study revealed that BPE solvolysis to monoaromatics (benzyl ethyl ether (BEE), benzyl alcohol (BA), and phenol (Ph)) proceeded in aqueous ethanol solution over 523 K and the addition of high-pressure carbon dioxide enhanced the initial solvolysis rate and suppressed the side reaction (hydrogenolysis to toluene (TL)). The ethanol molar fraction (ethanol-water volume ratio) is the key factor for the solvolysis reaction, and the highest monoaromatic yield of 72.9\% (BEE 10.7\%, BA 19.3\%, Ph 37.9\%, and TL 5.1\%) was obtained in aqueous ethanol solution (2 cm(3) : 1 cm(3) = water:ethanol) at 598 K for 3 h under a pressure of 18 MPa of carbon dioxide. The solvolysis reaction proceeded continuously to produce monoaromatics with a flow system. A monoaromatic yield of 76.7\% (BEE 8.6\%, BA 19.7\%, Ph 39.6\%, and TL 8.9\%) was obtained, and the formation rates were 2.7 x 10(-4) mmol min(-1) for BEE, 6.2 x 10(-4) mmol min(-1) for BA, and 12.4 x 10(-4) mmol min(-1) for Ph at 598 K under flowing water (26 mmol min(-1)), ethanol solution (4.1 mmol min(-1)), carbon dioxide (1.2 mmol min(-1)), and BPE (15.6 x 10(-4) mmol min(-1)) under a total pressure of 40 MPa.

}, issn = {1144-0546}, doi = {10.1039/d3nj01773g}, author = {Taniguchi, Kenkichi and Kusumawati, Etty N. and Nanao, Hidetaka and Rode, Chandrashekhar V. and Sato, Osamu and Yamaguchi, Aritomo and Shirai, Masayuki} } @article {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 {48261, title = {Covalently interconnected layers in g-C3N4: toward high mechanical stability, catalytic efficiency and sustainability}, journal = {Applied Catalysis B: Environmental}, volume = {322}, year = {2023}, month = {MAR}, pages = {122069}, type = {Article}, abstract = {

The grim prospects for the industrial utilization of g-C3N4 nanosheets arise from multi-step processing resulting in low material yields and poor visible light response due to quantum confinement. Herein, we introduce a strategy for linking the adjacent layers of g-C3N4 covalently to realize a high surface area without excess mass loss in a one-step process by introducing diethylene glycol as a precursor that produces-(CH2)2-O-(CH2)2-linkers in-situ. Their presence increases interlayer spacing and introduces surface curvatures, discouraging the stacking of a larger number of layers to produce nanosheets with-3 times higher surface area. Interestingly, unlike other layered materials, the linkers also provide extraordinary mechanical stability against exfoliating forces. In addition, the process instills sub-bandgap states and a considerable visible light response at 500 nm to slow down the picosecond exciton recombination dynamics, resulting in-5 times enhancement in H2 generation efficiency from photocatalytic water-splitting over the bulk sample.

}, keywords = {Layer-linkers, Sustainable synthesis, Transient absorption spectroscopy, water-splitting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.122069}, author = {Roy, Raj Sekhar and Mondal, Sanjit and Mishra, Samita and Banoo, Maqsuma and Sahoo, Lipipuspa and Kumar, Amit and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {48825, title = {Dabrafenib-panobinostat salt: improving the dissolution rate and inhibition of BRAF melanoma cells}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {MAY }, pages = {18255-18265}, type = {Article}, abstract = {

Cocrystallization of the drug-drug salt-cocrystal of the histone deacetylase inhibitor (HDACi) panobinostat (PAN) and b-rapidly accelerated fibrosarcoma (BRAF) inhibitor dabrafenib (DBF) afforded single crystals of a two-drug salt stabilized by N+-H center dot center dot center dot O and N+-H center dot center dot center dot N- hydrogen bonds between the ionized panobinostat ammonium donor and dabrafenib sulfonamide anion acceptor in a 12-member ring motif. A faster dissolution rate for both drugs was achieved through the salt combination compared to the individual drugs in an aqueous acidic medium. The dissolution rate exhibited a peak concentration (Cmax) of approximately 310 mg cm-2 min-1 for PAN and 240 mg cm-2 min-1 for DBF at a Tmax of less than 20 min under gastric pH 1.2 (0.1 N HCl) compared to the pure drug dissolution values of 10 and 80 mg cm-2 min-1, respectively. The novel and fast-dissolving salt DBF-center dot PAN+ was analyzed in BRAFV600E melanoma cells Sk-Mel28. DBF-center dot PAN+ reduced the dose-response from micromolar to nanomolar concentrations and lowered IC50 (21.9 +/- 7.2 nM) by half compared to PAN alone (45.3 +/- 12.0 nM). The enhanced dissolution and lower survival rate of melanoma cells show the potential of novel DBF-center dot PAN+ salt in clinical evaluation.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01881}, author = {Rai, Sunil K. and Marverti, Gaetano and Gunnam, Anilkumar and Allu, Suryanarayana and Nangia, Ashwini K.} } @article {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 {48757, title = {Direct deoxygenation of α-hydroxy and α,β-dihydroxy ketones using a silyl lithium reagent}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {SEP}, pages = {14227-14235}, type = {Article}, abstract = {

A reliable method for the one-step direct deoxygenation of alpha-hydroxy ketones has been developed using a silyl lithium reagent and acetic anhydride. The method is metal-catalyst-free and does not require prefunctionalization of the hydroxy group prior to its removal. Deoxygenation of different primary, secondary, and tertiary alcohols was carried out with up to 98\% isolated yield. Additionally, double deoxygenation was achieved when the present method was applied to alpha,beta-dihydroxy ketones to access the corresponding enones in a single step.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01613}, author = {Zade, Vishal M. and Gangnale, Laxmikant D. and Athawale, Paresh R. and Reddy, D. Srinivasa} } @article {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 {48694, title = {Domain shuffling and site-saturation mutagenesis for the enhanced inhibitory potential of amaranthaceae α-amylase inhibitors}, journal = {Protein Journal}, volume = {42}, year = {2023}, month = {OCT}, pages = {519-532}, type = {Article}, abstract = {

Amaranthaceae a-amylase inhibitors (AAIs) are knottin-type proteins with selective inhibitory potential against coleopteran a-amylases. Their small size and remarkable stability make them exciting molecules for protein engineering to achieve superior selectivity and efficacy. In this report, we have designed a set of AAI pro- and mature peptides chimeras. Based on in silico analysis, stable AAI chimeras having a stronger affinity with target amylases were selected for characterization. In vitro studies validated that chimera of the propeptide from Chenopodium quinoa a-AI and mature peptide from Beta vulgaris a-AI possess 3, 7.6, and 4.26 fold higher inhibition potential than parental counterparts. Importantly, recombinant AAI chimera retained specificity towards target coleopteran a-amylases. In addition, to improve the inhibitory potential of AAI, we performed in silico site-saturation mutagenesis. Computational analysis followed by experimental data showed that substituting Asparagine at the 6th position with Methionine had a remarkable increase in the specific inhibition potential of Amaranthus hypochondriacus a-AI. These results provide structural-functional insights into the vitality of AAI propeptide and a potential hotspot for mutagenesis to enhance the AAI activity. Our investigation will be a toolkit for AAI{\textquoteright}s optimization and functional differentiation for future biotechnological applications.

}, keywords = {\& alpha, -Amylase, -Amylase inhibitors, Amaranthaceae, Coleoptera, Peptide, Pest control}, issn = {1572-3887}, doi = {10.1007/s10930-023-10148-y}, author = {Rane, Ashwini S. and Nair, Vineetkumar S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {48771, title = {Donor strapped perylene bisimide macrocycle and its lemniscate dimer with extended charge separation}, journal = {Inorganic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {OCT }, pages = {5099-5107}, type = {Article}, abstract = {

Macrocyclic structures are fascinating due to their unique design and capability to place chromophores in specific orientations, resulting in exciting optoelectronic properties. However, the synthetic challenges limit the broad exploration of such systems. Herein, we report a thiophene-diacetylene-based ring strapped perylene bisimide macrocycle and its notably different electron transfer features. Single-crystal analysis of the macrocycle pointed to the nearly orthogonal placement of donor-acceptor units, facilitating better electronic communication between them. Interestingly, introduction of an alkyl substituent on the peripheral thiophene ring opened the possibility of forming a higher oligomer macrocycle consisting of two strapped perylene bisimide units. Diffusion and two-dimensional NMR experiments provided insight into the structure of the figure-eight-shaped lemniscate dimer. Transient absorption measurements showed faster electron transfer and extended stabilization of the charge-separated state. The thiophene-diacetylene-based ring is a better donor unit to facilitate rapid electron transfer and extended charge separation in the macrocycle and its lemniscate dimer. The new macrocycle design enables the formation of higher analogs equally capable of stabilizing the charge-separated state. Donor-acceptor (D-A) macrocycle designs position the respective units to achieve ultrafast electron transfer precisely and an extended charge-separated state. Here, we report a D-A macrocycle and its lemniscate dimer molecule with exciting electron transfer features.

}, issn = {2052-4129}, doi = {10.1039/d3qo01060k}, author = {Veer, Sairam Dnyaneshwar and Goswami, Tanmay and Ravindranathan, Sapna and Gonnade, Rajesh and Kharbanda, Nitika and Ghosh, Hirendra N. and Babu, Sukumaran Santhosh} } @article {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 {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 {48975, title = {Etherification of biomass-derived glycerol to oxygenated fuel additives using dodecatungstophosphoric-silica-supported catalyst: characterization and kinetic studies}, journal = {Biomass Conversion and Biorefinery }, volume = {13}, year = {2023}, month = {NOV}, pages = {16285-16295}, type = {Article}, abstract = {

Commercial biodiesel production is becoming popular due to its sustainability and reduced greenhouse gas emissions in comparison to fossil fuels. Biodiesel production involves the co-generation of crude glycerol that is not directly viable. Valorization of glycerol is essential from techno-economic perspective to achieve goals of circular economy. In this study, the glycerol etherification was carried out using tert-butyl alcohol in presence of dodecatungstophosphoric/silica (DTP/SiO2) catalyst for production of tert-butyl glycerol ethers that can be used as fuel additives. A series of DTP/SiO2 catalysts were prepared with various compositions by impregnating heteropoly acids (HPA, H3PW12O40). The product analysis was performed to monitor mono-, di-, and tri-tert-butyl glycerol ethers. The kinetic studies were conducted based on Langmuir-Hinshelwood model. The rate constants were determined from experimental data by regression analysis. The catalysts were characterized by X-ray diffraction, SEM/EDX, and thermogravimetric analysis. Varying DTP loadings resulted in different catalytic activities. Activation energy (38.23 kJ/mol), activation enthalpy (25.94 kJ/mol), activation entropy (-163.8 J/mol/K), and Gibbs free energy of activation (88.67 kJ/mol) were attained for DTP/SiO2 (20\%) catalyst that exhibited the best selectivity for di-tert-butyl glycerol ethers.

}, keywords = {Catalytic, etherification, fuel additives, Hinselwood, Impregnation, kinetics, Langmuir}, issn = {2190-6815}, doi = {10.1007/s13399-023-04880-9}, author = {Magar, Subhash B. and Kapoor, Ashish and Jana, Sumit Kumar and Pal, Dan Bahadur and Rode, Chandrashekhar V.} } @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 {48747, title = {Exploration of different solid variants of the anticancer medication Panobinostat (PNB) with improved physicochemical attributes}, journal = {Journal of Molecular Structure}, volume = {1292}, year = {2023}, month = {NOV }, pages = {136086}, type = {Article}, abstract = {

Panobinostat (PNB), is a medication used for the treatment of multiple myeloma. It is a BCS Class II drug with strong permeability and poor solubility. Therefore, it is highly desirable to investigate novel PNB variants with improved physiochemical properties. In this regard, several solid forms of PNB have been produced employing mechanochemistry and solution crystallisation techniques using a variety of GRAS (Generally Recognized as Safe) salt formers, notably oxalic acid (OA), fumaric acid (FA), maleic acid (MA), and succinic acid (SA). Powder X-Ray Diffraction (PXRD), Single Crystal X-Ray Diffraction (SCXRD), and thermal analysis such as Thermogravimetric analysis (TGA) and Differential Scanning Calorimetry (DSC) were used to characterize all the synthesised molecular adducts. Hirshfeld surfaces and fingerprint plots demonstrate that the molecular entities are stabilized by O \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;C and H \& BULL;\& BULL;\& BULL;H intermolecular interactions. Moreover, the solubility of parent PNB and its molecular adducts in pH 1.2/pH 6.8 was evaluated at room temperature. In every instance, an increase in the solubility of molecular salts relative to the parent medication is seen, notably PNB.MA exhibits enhanced solubility of 0.294 mg/ml, a 73fold increase over the parent PNB. Furthermore, it is observed that this upsurge in solubility of all the forms is static at pH 1.2. A thorough analysis of the recovered residue after solubility showed that most of the molecular adducts were stable at pH 6.8 and did not display any phase change or dissociation (with the exception of PNB.MA), but at pH 1.2 they transferred into a new stable form and extensive analysis confirmed that it converted into PNB.Cl salt. To the best of our knowledge, this is the first report on novel solid forms of PNB with enhanced physicochemical properties which implies that the obtained PNB molecular adduct may help in the development of improved PNB formulations.

}, keywords = {Hydrogen bond, Molecular adducts, solubility, Solvates}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.136086}, author = {Kenguva, Gowtham and Giri, Lopamudra and Rout, Smruti Rekha and Acharya, Achyuta Nanda and Dandela, Rambabu} } @article {48980, title = {Facile one-pot synthesis of Cu x O/TiO2 photocatalysts by regulating Cu oxidation state for efficient solar H2 production}, journal = {ACS Applied Energy Materials }, volume = {7}, year = {2023}, month = {DEC }, pages = {104-116}, type = {Article}, abstract = {

Development of highly efficient CuxO/TiO2 photocatalysts by regulating the oxidation state of Cu exclusively in either single or mixed oxidation state(s) is desirable but difficult to achieve without employing any external reagents. The present work describes a one-pot synthesis strategy to obtain CuxO/TiO2 photocatalysts with Cu in +1 and/or +2 by using a suitable combination of ethylene diamine tetra acetic acid (EDTA) and ethylene diamine, carefully varying the Cu content, and heat treatment process. CuxO/TiO2 nanocomposite catalysts were characterized thoroughly by physicochemical methods. Textural analysis indicates a high dispersion of CuxO on porous TiO2 with p-n heterojunctions between them in CuxO/TiO2 catalysts. UV-visible spectral analysis suggests the presence of CuxO on TiO2 with significantly extended absorption from the UV to the visible region. X-ray photoelectron spectroscopy (XPS) analysis indicates a strong synergetic interaction between TiO2 and CuxO due to the comparable CB potential and p-n heterojunction at the interface among them. Photoelectrochemical studies demonstrate excellent charge-carrier separation efficiency, low charge-transfer resistance, and high double-layer capacitance with Cu2O/TiO2 photocatalysts. Photocatalytic efficacy of a CuxO/TiO2 nanocomposite in thin-film form has been demonstrated for solar hydrogen generation in sunlight. The incorporation of Cu+ in TiO2 largely improves the H-2 production, and all of the CuxO/TiO2 nanocomposites in thin-film form exhibited higher efficiency compared to their particulate/suspension counterpart. Among the composite catalysts, TiCu-1 in thin-film form, with Cu exclusively in +1 oxidation state, exhibited a high hydrogen production rate of 7.06 mmol/hg, which is 6 times higher than its suspension counterpart; also catalysts containing mixed Cu-oxidation states exhibited about 60-70\% activity as that of TiCu-1. The superior performance of Cu2O/TiO2 nanocomposites in thin-film form was due to their enhanced light harvesting ability, high mass transfer rate, and easy accessibility of the reactant species to the active sites.

}, keywords = {heterojunction, Photocatalysis, Solar hydrogen, thin film, titania}, issn = {2574-0962}, doi = {10.1021/acsaem.3c02272}, author = {Rajendran, Sivaraj and Mani, Sunesh S. and Nivedhitha, Thazhath R. and Asoka, Anantha Krishnan and Arun, Pushkaran S. and Mathew, Thomas and Gopinath, Chinnakonda S.} } @conference {48799, title = {Fast normalization and despeckled method for skin optical coherence tomography image via deep learning}, booktitle = {Photonics in Dermatology and Plastic Surgery 2023}, year = {2023}, month = {JUL}, publisher = {SPIE}, organization = {SPIE}, address = {1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA}, abstract = {

Optical coherence tomography (OCT) is well-known for its high-resolution, non-invasive imaging modality with many medical uses, including skin imaging. Nevertheless, speckle noise limits the analytical capabilities of this imaging tool, causing deterioration in contrast and less exact detection of tissue microstructural heterogeneity. To address this issue, we proposed OCT despeckling approach by combing it with normalization to reduce the speckle noise more effectively. The proposed method contains multiple steps including phase correlation for alignment of misaligned frames, frame averaging which minimizes speckle noise, region-wise pixels normalization that helps to normalize intensity pixels, a modified BM3D filtering to suppress the white and speckle, and contrast enhancement to improve the contrast appropriately. To establish the approach, we applied 130 distinct B-scan skin OCT images and validate and evaluate the performance using qualitatively and quantitatively. Although the output obtained by the algorithm is promising, the method is time-consuming because of a series of steps. To reduce the time complexity, we also develop a supervised deep learning model by mapping between noisy-despeckled image pairs. The effectiveness and applicability of our DL approach were assessed using 130 skin OCT B-scans from various body areas taken from 45 healthy people between the ages of 20 and 60. With the support of the experimental results, we demonstrate that our DL model is capable to normalize and despeckling OCT images simultaneously.

}, keywords = {CNN, deep learning, denoising, Optical coherence tomography, speckle}, isbn = {978-1-5106-5809-7; 978-1-5106-5810-3}, doi = {10.1117/12.2651211}, author = {Rahaman, Jarjish and Lukas, Brandon and May, Julia and Puyana, Carolina and Tsoukas, Maria and Avanaki, Kamran}, editor = {Choi, B and Zeng, H} } @article {48338, title = {G4-binding drugs, chlorpromazine and prochlorperazine, repurposed against COVID-19 infection in hamsters}, journal = {Frontiers in Molecular Biosciences}, volume = {10}, year = {2023}, month = {MAR }, pages = {1133123}, type = {Article}, abstract = {

The COVID-19 pandemic caused by SARS-CoV-2 has caused millions of infections and deaths worldwide. Limited treatment options and the threat from emerging variants underline the need for novel and widely accessible therapeutics. G-quadruplexes (G4s) are nucleic acid secondary structures known to affect many cellular processes including viral replication and transcription. We identified heretofore not reported G4s with remarkably low mutation frequency across \>5 million SARS-CoV-2 genomes. The G4 structure was targeted using FDA-approved drugs that can bind G4s - Chlorpromazine (CPZ) and Prochlorperazine (PCZ). We found significant inhibition in lung pathology and lung viral load of SARS-CoV-2 challenged hamsters when treated with CPZ or PCZ that was comparable to the widely used antiviral drug Remdesivir. In support, in vitro G4 binding, inhibition of reverse transcription from RNA isolated from COVID-infected humans, and attenuated viral replication and infectivity in Vero cell cultures were clear in case of both CPZ and PCZ. Apart from the wide accessibility of CPZ/PCZ, targeting relatively invariant nucleic acid structures poses an attractive strategy against viruses like SARS-CoV-2, which spread fast and accumulate mutations quickly.

}, keywords = {Conserved motif, FDA-approved drugs, G-quadruplex binding drugs, hamster model of COVID-19, RNA G-quadruplex}, doi = {10.3389/fmolb.2023.1133123}, author = {Roy, Shuvra Shekhar and Sharma, Shalu and Rizvi, Zaigham Abbas and Sinha, Dipanjali and Gupta, Divya and Rophina, Mercy and Sehgal, Paras and Sadhu, Srikanth and Tripathy, Manas Ranjan and Samal, Sweety and Maiti, Souvik and Scaria, Vinod and Sivasubbu, Sridhar and Awasthi, Amit and Harshan, Krishnan H. and Jain, Sanjeev and Chowdhury, Shantanu} } @article {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 {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 {48271, title = {Hydrogenation of levulinic acid to gamma-valerolactone over nickel supported organoclay catalyst}, journal = {Catalysis Today}, volume = {408}, year = {2023}, month = {JAN }, pages = {36-49}, type = {Article}, abstract = {

In this work, a series of Ni/Organoclay catalysts with different Nickel loadings were prepared by the wetimpregnation method for the catalytic hydrogenation of levulinic acid (LA) to gamma-valerolactone (GVL). Reaction parameters such as reaction temperature, pressure, solvent effect, and wt\% of catalyst were optimized to get excellent conversion of levulinic acid selectively to gamma-valerolactone. Ni/Organoclay with 30\% Nickel loading exhibited 100\% conversion of LA with 100\% selectivity towards GVL at 140 degrees C and 3.0 MPa H2 pressure using 1,4-dioxane as a solvent in 5 h. Different bulk and surface characterization techniques such as XRD, BET, FE-SEM, HR-TEM, XPS, XRF, NH3-TPD, and H2-Chemisorption were used to characterize the Ni/Organoclay catalyst. BET and NH3-TPD analysis showed that the pre-treatment of bentonite with surfactant (CTAB) improved the pore volume, surface area, and acidity of Organoclay which assisted in improving the conversion and selectivity of LA and GVL respectively.

}, keywords = {?-Valerolactone (GVL), Bentonite, Hydrogenation, Levulinic acid (LA), Nickel, organoclay}, issn = {0920-5861}, doi = {10.1016/j.cattod.2022.10.004}, author = {Kamble, Paresh A. and Vinod, C. P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {48448, title = {Hydroxide ion-conducting viologen-bakelite organic frameworks for flexible solid-state zinc-air battery applications}, journal = {Nanoscale Horizons}, volume = {8}, year = {2023}, month = {JAN }, pages = {224-234}, type = {Article}, abstract = {

Adaptable polymer-based solid-state electrolytes can be a game-changer toward safe, lightweight flexible batteries. We present a robust Bakelite-type organic polymer covalently decked with viologen, triazine, and phenolic moieties. Its flexible structure with cationic viologen centers incorporates counter-balancing free hydroxide ions into the polymeric framework. By design, the aromatic groups and heteroatoms in the framework can be activated under an applied potential to prompt a push-pull drive, setting off the towing of hydroxide ions via weak electrostatic, van der Waals, and hydrogen-bond interactions. The frontier orbitals from a DFT-modeled structure certify this. The hydroxyl-polymer requires minimal KOH wetting to maintain a humid environment for Grotthuss-type transport. The hydroxide ion conductivity reaches a value of 1.4 x 10(-2) S cm(-1) at 80 degrees C and 95\% RH, which is retained for over 15 h. We enhanced its practical utility by coating it as a thin solid-state separator-cum-electrolyte on readily available filter paper. The composite exhibits a conductivity of 4.5 x 10(-3) S cm(-1) at 80 degrees C and 95\% RH. A zinc-air battery (ZAB) constructed using this polymer-coated paper as electrolyte yields a maximum power density of 115 mW cm(-2) and high specific capacitance of 435 mA h g(-1). The power density recorded for our ZAB is among the best reported for polymer electrolyte-based batteries. Subsequently, the flexible battery fabricated with IISERP-POF11_OH@FilterPaper exhibits an OCV of 1.44 V, and three batteries in series power a demo traffic signal. To underscore the efficiency of hydroxide ion transport through the complex multifunctional backbone of the polymer, we calculated the diffusion coefficient for OH- (Exp: 2.9 x 10(-5) cm(2) s(-1); Comp. 5.2 x 10(-6) cm(2) s(-1)) using electrochemical methods and MD simulations. Climbing-edge NEB calculations reveal a large energy barrier of 2.11 eV for Zn2+ to penetrate the polymer and identify hydroxide ions within the polymer, suggesting no undesirable Zn2+ crossover. Our findings assert the readily accessible C-C-linked cationic polymer{\textquoteright}s capacity as a solid-state electrolyte for ZABs and any anion-conducting membrane.

}, issn = {2055-6756}, doi = {10.1039/d2nh00455k}, author = {Rase, Deepak and Illathvalappil, Rajith and Singh, Himan Dev and Shekhar, Pragalbh and Leo, Liya S. and Chakraborty, Debanjan and Haldar, Sattwick and Shelke, Ankita and Ajithkumar, Thalasseril G. and Vaidhyanathan, Ramanathan} } @article {48754, title = {Identification of G-quadruplex structures in MALAT1 lncRNA that interact with nucleolin and nucleophosmin}, journal = {Nucleic Acids Research}, volume = {51}, year = {2023}, month = {SEP}, pages = {9415-9431}, type = {Article}, abstract = {

Nuclear-retained long non-coding RNAs (lncRNAs) including MALAT1 have emerged as critical regulators of many molecular processes including transcription, alternative splicing and chromatin organization. Here, we report the presence of three conserved and thermodynamically stable RNA G-quadruplexes (rG4s) located in the 3 \& PRIME; region of MALAT1. Using rG4 domain-specific RNA pull-down followed by mass spectrometry and RNA immunoprecipitation, we demonstrated that the MALAT1 rG4 structures are specifically bound by two nucleolar proteins, Nucleolin (NCL) and Nucleophosmin (NPM). Using imaging, we found that the MALAT1 rG4s facilitate the localization of both NCL and NPM to nuclear speckles, and specific G-to-A mutations that disrupt the rG4 structures compromised the localization of both NCL and NPM in speckles. In vitro biophysical studies established that a truncated version of NCL (\& UDelta;NCL) binds tightly to all three rG4s. Overall, our study revealed new rG4s within MALAT1, established that they are specifically recognized by NCL and NPM, and showed that disrupting the rG4s abolished localization of these proteins to nuclear speckles

}, issn = {0305-1048}, doi = {10.1093/nar/gkad639}, author = {Ghosh, Arpita and Pandey, Satya Prakash and Joshi, Dheeraj Chandra and Rana, Priya and Ansari, Asgar Hussain and Sundar, Jennifer Seematti and Singh, Praveen and Khan, Yasmeen and Ekka, Mary Krishna and Chakraborty, Debojyoti and Maiti, Souvik} } @article {48761, title = {Identification of new modulator of DNA repairing pathways based on natural product ({\textpm})-peharmaline A}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {91}, year = {2023}, month = {AUG}, pages = {117365}, type = {Article}, abstract = {

The complex heterogenic environment of tumour mass often leads to drug resistance and facilitate chemo insensitivity triggering more malignant phenotypes among cancer patients. Major DNA-damaging cancer drugs have been consistently proven unsuccessful in terms of elevating chemo-resistance. (\& PLUSMN;)-peharmaline A, a hybrid natural product isolated from seeds of Peganum harmala L. possesses significant cytotoxic activities. Herein, we have described the design, and synthesis of a novel library of close and simplified analogues around the anticancer natural product (\& PLUSMN;)-peharmaline A and investigated their cytotoxic activities, which led to the identification of three structurally simplified lead compounds exhibiting better potency than parent natural product. Among them, demethoxy analogue of peharmaline A was further investigated for its anticancer potential eliciting demethoxy analogue as potent DNA-damage inducing agent attenuating the expression of the proteins responsible for the DNA damage repair. Therefore, this demethoxy analogue warrants detailed investigations for the confirmations of the molecular mechanism-based studies responsible for its anticancer activity.

}, keywords = {DNA damage, EMT, Pictet, Spengler reaction, Structure-activity relationship, Total synthesis}, issn = {0968-0896}, doi = {10.1016/j.bmc.2023.117365}, author = {Kulkarni, Akshay S. and Dash, Anshurekha and Shingare, Rahul D. and Chand, Jagdish and Manhas, Diksha and Singh, Aman and Nandi, Utpal and Goswami, Anindya and Reddy, D. Srinivasa} } @article {48458, title = {Imine oxidation catalyzed by zinc hydroxyapatite: kinetic studies}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAY}, pages = {e202203503}, type = {Article}, abstract = {

The synthesis of N,N-diphenylformamide from N-benzylideneaniline and urea hydrogen peroxide is investigated using a zinc hydroxyapatite (ZnHAP) catalyst. It was found that the catalyst resulted in the highest activity of 91 \% conversion and 40 \% selectivity at 130 degrees C in 2 h. A kinetic model was validated by Langmuir-Hinshelwood-Hougen-Watson (LHHW) at different temperatures and the absence of mass transfer resistance was proved by the Weisz Prater criterion. Effect of different catalysts, catalyst loading, temperature, mole-ratio, and speed of stirring was studied. The as-synthesized catalyst is characterized by FTIR, BET nitrogen adsorption-desorption, TEM, EDX, TPD-NH3, XPS, ICP-MS and XRD. ZnHAP catalyst was found to be stable up to three recycles with no loss in activity.

}, keywords = {heterogeneous catalysis, hydroxyapatite, imines, Oxidation, Reaction kinetics}, issn = {2365-6549}, doi = {10.1002/slct.202203503}, author = {Vishwakarma, Rakhi and Vinod, C. P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {48680, title = {In silico identification and characterization of the SNPs in the human ASTL gene and their probable role in female infertility}, journal = {Frontiers in Cell and Developmental Biology}, volume = {11}, year = {2023}, month = {JUN}, pages = {1151672}, type = {Article}, abstract = {

Ovastacin (ASTL), a zinc metalloprotease, is released from a fertilized egg during exocytosis of cortical granules which occurs minutes after the sperm and egg fuse. ASTL cleaves ZP2, one of the four primary glycoproteins of human zona pellucida, and this cleavage prevents polyspermy, causes zona pellucida hardening, and also protects the pre-implantation embryo. Any perturbation in the activity of ASTL can thus disturb this process and may lead to infertility without changing the gross morphology of the oocyte. A small amount of ASTL is also released by unfertilized oocytes but its catalytic activity is absent as it is bound by its inhibitor, Fetuin-B (FETUB). Pre-mature release of ASTL when FETUB is absent also causes infertility. To identify and understand the structural and functional effects of deleterious SNPs of ASTL on its interaction with ZP2 and FETUB and hence on fertility, a total of 4,748 SNPs from the dbSNP database were evaluated using a variety of in silico tools. All of the 40 shortlisted nsSNPs were present in the catalytic domain of the protein. Comparison of the wild type with mutants using MutPred2 suggests an alteration in the catalytic activity/zinc binding site in many SNPs. Docking studies show the involvement of hydrophobic interactions and H bonding between ASTL and ZP2 and also between ASTL and FETUB. Four positions in ASTL involved in the hydrophobic interactions (P-105 and D-200 between ASTL and ZP2; D-198 and L-278 etween ASTL and FETUB) and 5 in H bonding (E-75 and R-159 between ASTL and ZP2; and K-93, R-159, and C-281 between ASTL and FETUB) have SNP{\textquoteright}s associated with them validating their importance. Interestingly, a cluster of multiple SNPs was found in the motif (DRD200)-D-198, which is also a well-conserved region among several species. Statistical Coupling Analysis (SCA) suggested that the deleterious SNPs were present in the functionally important amino acid positions of ASTL and are evolutionarily coupled. Thus, these results attempt to identify the regions in ASTL, mutations in which can affect its binding with ZP2 or FETUB and cause female infertility.

}, keywords = {ASTL, female infertility, fertilization, omics, ovastacin, single nucleotide polymorphism}, issn = {2296-634X}, doi = {10.3389/fcell.2023.1151672}, author = {Suri, Kapali and Rajput, Neha and Sharma, Priya and Omble, Aishwarya D. and Kulkarni, Kiran and Gahlay, Gagandeep K.} } @article {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 {48471, title = {Investigation of Al2O3 induced variations in the structural parameters in strontium borosilicate glasses using solid state NMR}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {MAY }, pages = {13550-13559}, type = {Article}, abstract = {

The physical properties of oxide glasses are crucially dependent on the atomistic structural speciation. In this study, we investigate the variation in the local ordering in the glass network of strontium borosilicate glasses (34.82 SrO, 51.84 B2O3, 13.34 SiO2 in mol\%) with a progressive substitution of B2O3 by Al2O3 and estimate the structural parameters: the oxygen packing fraction, and the average network coordination number. The coordination of the network forming cations at various glass compositions is determined using B-11, Al-27, and Si-29 solid-state nuclear magnetic resonance (SSNMR). The SSNMR reveals that at the higher substitution of B2O3 by Al2O3 in the glass composition, the coordination network of Al3+ exists predominantly in the 4 coordinated state, the network forming B3+ cations transform from a tetrahedral BO4 to a trigonal BO3 structure, and the Q(4) form of silicates is dominant. The average coordination number and the oxygen packing fraction were calculated using the parameters obtained from the SSNMR results, and it is observed that the average coordination number decreases, and the oxygen packing fraction increases on incorporating Al. It is interesting to note that some of the thermophysical properties of these compositions closely follow the pattern shown by the average coordination number and the oxygen packing fraction.

}, issn = {1463-9076}, doi = {10.1039/d3cp00751k}, author = {Illath, Kavya and Ojha, Prasanta K. and Rath, Sangram K. and Ajithkumar, T. G.} } @article {48341, title = {Lead-free solid state mechanochemical synthesis of Cs2NaBi1-XFeXCl6 double perovskite: reduces band gap and enhances optical properties}, journal = {Inorganic Chemistry}, volume = {62}, year = {2023}, month = {MAR}, pages = {4861-4871}, type = {Article}, abstract = {

Efficient and stable lead-free halide double perovskites (DPs) have attracted great attention for the future generation of electronic devices. Herein, we have developed a doping approach to incorporate Fe3+ ions into the Cs2NaBiCl6 crystal unit and reveal a crystallographic and optoelectronic study of the Cs2NaBi1-xFexCl6 double perovskite. We report a simple solid-state mechanochemical method that has a solvent-free, one-step, green chemistry approach for the synthesis of Cs2NaBi1-xFexCl6 phosphor. The analysis of powder X-ray diffraction (XRD) data determines the contraction of the lattice due to the incorporation of Fe3+ cations, and this effect is well supported by X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and solid-state nuclear magnetic resonance spectroscopy (ss-NMR). The band gap is reduced with increasing Fe content owing to the strong overlap of the Fe-3d orbitals with Cl-3p orbitals and shift of the valence band maxima (VBM) toward higher energies, as confirmed by ultraviolet photoelectron spectroscopy (UPS) and density functional theory (DFT) analyses. Photoluminescence (PL) studies of Cs2NaBi1-xFexCl6 phosphors exhibit a large Stokes shift, broadband emission, and increased PL intensity more than ten times for 15\% of Fe content phosphor with enhancement in the average decay lifetimes (up to 38 ns) compared to pristine Cs2NaBiCl6 DP. These results indicate that the transition of dark self-trapping of excitons (STEs) into bright STEs enhances yellow emission. XRD, UV, and thermo-gravimetric analysis (TGA) confirmed that the Cs2NaB1-xFexCl6 DPs have good structural and thermal stabilities. Our findings indicate that the doping of Fe3+ cations into the Cs2NaBiCl6 lattice is a constructive strategy to enhance significantly the optoelectronic properties of these phosphors.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c04149}, author = {Udavant, Rohini and Thawarkar, Sachin and Rondiya, Sachin and Shelke, Ankita and Aher, Rahul and Ajithkumar, Thalasseril G. and Cross, Russell W. and Dzade, Nelson Y. and Jadkar, Sandesh} } @article {48735, title = {Made to measure squaramide COF cathode for zinc dual-ion battery with enriched storage via redox electrolyte}, journal = {Advanced Energy Materials}, volume = {13}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

Aqueous rechargeable batteries are promising grid-scale energy storage devices because of their affordability, operational safety, and environmental benignity. Among these, Zn-ion batteries (ZIBs) have unfolded new horizons. Designing superior cathodes for ZIBs is crucial. Covalent organic frameworks (COFs) can be made redox active with a high storage surface. Here, for the first time, a chelating COF with redox-active ZnI2 in a ZnSO4(aq) electrolyte is combined. Including iodide harvests an approximately threefold enhancement in capacity from 208 to 690 mAh g(-1) at 1.5 A g(-1), the highest among all the COF-derived ZIBs. Remarkably, a charge-discharge curve at 1.3 V exhibits very limited dropout voltage and super-flat platform, with a remarkable capacity of 600 mAh g(-1) at 5 A g(-1) stable up to 6000 cycles, confirming that the polyiodide generation and storage are sustainable. The COF{\textquoteright}s dual-ion storage (Zn2+ and polyidode) delivers a ZIB with the highest energy density. Spectro-electrochemical measurements coupled with X-ray photoelectron spectroscopy unambiguously unveil the existence of multiple polyiodide species, with I-3(-) and IO3- ions as the prominent species. The latter gets reduced at the COF electrode under an applied potential, leaving I-3(-) as the major species stored on the COF. The prospect of COF-polyiodide((aq)) is a windfall for metal-ion batteries.

}, keywords = {covalent organic frameworks, flexible batteries, polyiodide, redox electrolytes, Zn ion batteries}, issn = {1614-6832}, doi = {10.1002/aenm.202301049}, author = {Kushwaha, Rinku and Jain, Chitvan and Shekhar, Pragalbh and Rase, Deepak and Illathvalappil, Rajith and Mekan, Deep and Camellus, Augastus and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan} } @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 {49132, title = {Mechanistic insights on anserine hydrolyzing activities of human carnosinases}, journal = {Biochemica ET Biophysica Acta- General Subjects }, volume = {1867}, year = {2023}, month = {MAR}, type = {Article}, abstract = {

Anserine and carnosine represent histidine-containing dipeptides that exert a pluripotent protective effect on human physiology. Anserine is known to protect against oxidative stress in diabetes and cardiovascular diseases. Human carnosinases (CN1 and CN2) are dipeptidases involved in the homeostasis of carnosine. In poikilothermic vertebrates, the anserinase enzyme is responsible for hydrolyzing anserine. However, there is no specific anserine hydrolyzing enzyme present in humans. In this study, we have systematically investigated the anserine hydrolyzing activity of human CN1 and CN2. A targeted multiple reaction monitoring (MRM) based approach was employed for studying the enzyme kinetics of CN1 and CN2 using carnosine and anserine as substrates. Surprisingly, both CN1 and CN2 can hydrolyze anserine effectively. The observed catalytic turnover rate (Vmax/[E]t) was 21.6 s-1 and 2.8 s-1 for CN1 and CN2, respectively. CN1 is almost eight-fold more efficient in hydrolyzing anserine compared to CN2, which is comparable to the efficiency of the carnosine hydrolyzing activity of CN2. The Michaelis constant (Km) value for CN1 (1.96 mM) is almost three-fold lower compared to CN2 (6.33 mM), representing higher substrate affinity for anserine-CN1 interactions. Molecular docking studies showed that anserine binds at the catalytic site of the carnosinases with an affinity similar to carnosine. Overall, the present study elucidated the inherent promiscuity of human carnosinases in hydrolyzing anserine using a sensitive LCMS/MS approach.

}, keywords = {Anserine, Carnosinase, Carnosine, Diabetes, LC-MS, MS, Multiple reaction monitoring (MRM), Promiscuity}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2022.130290}, author = {Pandya, Vaibhav Kumar and Shankar, S. Shiva and Rajesh, S. and Rathore, Rajeshwari and Kumaran, Sangaralingam and Kulkarni, Mahesh J.} } @article {48820, title = {Metal deficiency tailored by the 18-electron rule stabilizes metal-based inorganic compounds}, journal = {Chemistry of Materials}, volume = {35}, year = {2023}, month = {JUL}, pages = {6050-6058}, type = {Article}, abstract = {

The 18-electron (18-e(-)) rule is typicallyrestrictedto predicting the stability of transition-metal-based complexes. Herein,we report the use of the 18-e(-) to predict the stabilityin a family of intermetallics MNiSn (M = V, Cr, Fe, and Co) crystallizingin the Co1.75Ge structure type. Site deficiencies at theM site obtained from single-crystal X-ray diffraction are understoodas attaining a stable noble gas electronic configuration. The densityfunctional theory -based structure calculation confirms that the deficientstructure is more stable than the ideal occupation available at thecrystal lattice. MnNiSn, which crystallizes in the half-Heusler crystalstructure, depicts the role of covalent radii of the constituent elementsin determining the crystal structure. Using X-ray absorption spectroscopyand X-ray photoelectron spectroscopy, the local structure of the above-mentionedcompounds was also elucidated, supporting the role of deficiency tunedvalence fluctuation to attain a 18-e(-) configurationthat eventually leads to the formation of stable compounds.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.3c01142}, author = {Singh, Ashutosh Kumar and Mumbaraddi, Dundappa and Mishra, Vidyanshu and Roy, Soumyabrata and Vinod, C. P. and Peter, Sebastian C.} } @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 {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 {48732, title = {Multipurpose cellulases of Promicromonospora sp. VP111, with broad substrate specificity and tolerance properties}, journal = {Journal of Basic Microbiology}, volume = {63}, year = {2023}, month = {JUL}, pages = {790-800}, type = {Article}, abstract = {

Cellulolytic actinobacterium, Promicromonospora sp. VP111 concomitantly produced cellulases (CELs), xylanase and pectinase when grown on commercial cellulose and untreated agricultural lignocellulosic residues (wheat straw and sugarcane bagasse). Secreted CELs hydrolyzed (enhanced with Co2+ ion) multiple cellulosic substrates, including sodium carboxymethyl cellulose (Na-CMC), Whatman filter paper no. 1, microcrystalline cellulose (avicel), p-nitrophenyl-beta-D-glucopyranoside (pNPG), laminarin, and cellulose powder. The CELs showed stabilities in the presence of various chemicals, including glucose (0.2 M), detergents (1\%, w/v or v/v), denaturants (1\%, w/v or v/v), and sodium chloride (NaCl, 30\%, w/v). The CELs were fractionated using ammonium sulfate precipitation and dialysis. Activities (\%) of fractionated CELs were retained at 60 degrees C for endoglucanase/carboxymethyl cellulase (CMCase) (88.38), filter paper cellulase (FPase) (77.55), and beta-glucosidase (90.52), which indicated of thermo-stability. Similarly, the activities (\%) for CMCase (85.79), FPase (82.48), and beta-glucosidase (85.92) at pH 8.5 indicated of alkaline-stability. Kinetic factors, K-m and V-max for endoglucanase component of fractionated CELs were 0.014 g/l and 158.23 mu M glucose/min/mL, respectively. Fractionated CELs yielded activation energies (kJ/mol) of 17.933, 6.294, and 4.207 for CMCase, FPase, and beta-glucosidase activities, respectively in linear thermostable Arrhenius plots. Thus, this study reports on the multipurpose CELs from an untreated agricultural residue utilizing Promicromonospora in relation to broad substrate specificity, halo-tolerance, alkaline-tolerance, detergent-tolerance, thermo-tolerance, organic solvent-tolerance, and end product-tolerance.

}, keywords = {cellulases, cellulose, Endoglucanase, Lignocellulose, Promicromonospora sp, VP111}, issn = {0233-111X}, doi = {10.1002/jobm.202200679}, author = {Thomas, Lebin and Ram, Hari and Singh, Ved P.} } @article {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 {48313, title = {Nitric acid free cyclohexane to adipic acid production using nickel and vanadium incorporated AlPO-5 molecular sieve}, journal = {Molecular Catalysis}, volume = {540}, year = {2023}, month = {APR }, pages = {113051}, type = {Article}, abstract = {

Rationally designing a stable and sustainable metal oxide supported over the molecular sieve catalysts for oxidizing cyclohexane (CYH) to adipic acid (AA) is vital in industrial applications. The in-situ hydrothermal synthesis method successfully incorporated vanadium and nickel into the aluminium phosphate-5 (AlPO-5) molecular sieves (MFI structure). The XPS and NH3 TPD analysis disclosed that the addition of Ni into V-AlPO-5 stabilizes the ratio of V4+/V5+, creating strong acidic sites and the formation of NiOOH, which are a vital role for the selective CYH oxidation to AA. An in-situ DRIFT study reveals that nickel takes part in the formation of dicarboxylate ions as an intermediate to form AA. Our catalytic studies profoundly suggested that the Ni0.1V0.2AlPO-5 catalyst used for CYH oxidation gives better selectivity towards AA (53\%) in the presence of oxygen at an appropriate amount of solvent without an initiator or promoter within a short time (3h).

}, keywords = {Adipic Acid, Cyclohexane oxidation, In situ DRIFT, NiOOH, NiVAlPO-5, Ratios ofV4+, V5+}, issn = {2468-8231}, doi = {10.1016/j.mcat.2023.113051}, author = {Prabu, Marimuthu and Sharma, Shweta and Raja, Abhishekram and Archana, Ramakrishnan and Samruddhi, Mane and Raja, Thirumalaiswamy} } @article {48947, title = {Norbornenyl-pendant aromatic (co)poly(ether ether ketone)s}, journal = {Journal of macromolecular science part A- pure and applied chemistry}, volume = {60}, year = {2023}, month = {NOV }, pages = {790-800}, type = {Journal Article}, abstract = {

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

}, keywords = {(Co)poly(ether ether ketone)s, azide-alkene click reaction, norbornenyl groups, post-polymerization modification}, issn = {1060-1325}, doi = {10.1080/10601325.2023.2261462}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {48982, title = {Novel finding: 2,4-Di-tert-butylphenol from streptomyces bacillaris ANS2 effective against mycobacterium tuberculosis and cancer cell lines}, journal = {Applied Biochemistry and Biotechnology }, volume = {195}, year = {2023}, month = {NOV}, pages = {6572-6585}, type = {Article}, abstract = {

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

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

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

}, keywords = {Monodispersed silica nanoparticles, Nanocomposite, Polyethylene glycol, Shear rate, Shear thickening fluid}, issn = {0170-0839}, doi = {10.1007/s00289-023-04696-7}, author = {Chavan, Nayaku and Dhage, Atul and Wale, Apparav and Thorave, Asmita and Rajdeo, Kishor and Kamble, Sanjay and Ponrathnam, Surendra and Tambe, Sanjeev and Verma, Sanjeevkumar} } @article {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 {48292, title = {Oxidation of ethylene by Cu/TiO2: reducibility of Cu2+ in TiO2 as a possible descriptor of catalytic efficiency}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {APR}, pages = {2330-2339}, type = {Article}, abstract = {

Catalytic oxidation using non-noble metal-based catalysts is a promising approach to mitigate pollution due to VOCs in the air. In this work, mesoporous Cu/TiO2 catalysts containing different concentrations of Cu2+ (0.2, 1, 3, and 4 wt\% Cu w.r.t. Ti) were synthesized using the sol-gel technique. The catalysts were characterized using inductively coupled plasma-optical emission spectrometry, XRD, Raman spectroscopy, N-2 physisorption, cyclic voltammetry, H-2-TPR and electron microscopy to understand the structure and composition. The thermal catalytic gas phase oxidation of ethylene was studied by heating a mixture of ethylene (1.5 vol\%) and air (5.9 vol\%) in the presence of the Cu/TiO2 samples in the temperature range of 298 to 773 K. Cu/TiO2 showed a higher catalytic activity compared to TiO2 for the thermal oxidation of ethylene, indicating a strong promotion by doped copper ions. A volcanic behaviour in the catalytic activity was observed with different concentrations of Cu doping, with 1\% Cu/TiO2 showing a 99.5\% ethylene conversion at 673 K and 100\% selectivity to CO2. The activity of 1\% Cu/TiO2 remained consistent without deactivation for 24 h. At low dopant concentrations of Cu (0.2 and 1\% Cu/TiO2), the reduction of Cu2+ to Cu+ was observed. An interplay of oxygen vacancies (O-V), Cu+, Cu2+ and Ti4+ may be involved in controlling the activity. DRIFT studies indicated the formation of surface bidendate carbonate as a possible intermediate.

}, issn = {2044-4753}, doi = {10.1039/d2cy02170f}, author = {Rajendran, K. and Sharma, Mandeep and Jaison, Augustine and Ankitha, Menon and Tiwari, Ankit D. and Vinod, C. P. and Jagadeesan, Dinesh} } @article {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 {48783, title = {Pd(II)-catalyzed tandem cycloannulative-alkenylation of o-alkynyl-phenols/anilines with (E)-β-Iodovinyl sulfones: a direct strategy to construct 3-(Vinyl sulfonyl)benzoheterole derivatives}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUN }, pages = {8889-8903}, type = {Article}, abstract = {

Benzoheterolesand vinyl sulfones are the most promisingpharmaceuticalrelevance motifs, yet the hybrid analogues of these scaffolds stillneed to be explored. We report herein a general and highly efficientPd(OAc)(2)-catalyzed intramolecular cyclization and vinylationof o-alkynylphenols/o-alkynylanilineswith (E)-beta-iodovinyl sulfones under mild reactionconditions. A direct C(sp(2))-C(sp(2)) cross-couplingis enabled for the diversity-oriented synthesis of vinyl sulfone-tetheredbenzofurans and indoles in good to high yields with excellent stereoselectivity.Notably, this tandem process was consistent at the gram scale, andin situ, generation of 2-(phenylethynyl)phenol has also been utilizedin a scalable synthesis. Late-stage synthetic transformations werealso further explored, including isomerization and desulfonylative-sulfenylation.Moreover, several control experiments were accomplished, and we proposeda plausible mechanism based on existing experimental results.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00671}, author = {Reddy, Raju Jannapu and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48785, title = {Photogating induced high sensitivity and speed from heterostructure of few-layer MoS2 and reduced graphene oxide-based photodetector}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {NOV}, pages = {30419-30427}, type = {Article}, abstract = {

Over the past few years, two-dimensional transition metal dichalcogenides (2D-TMDC) have attracted huge attention due to their high mobility, high absorbance, and high performance in generating excitons (electron and hole pairs). Especially, 2D molybdenum disulfide (MoS2) has been extensively used in optoelectronic and photovoltaic applications. Due to the low photo-to-dark current ratio (I-photo/dark) and low speed, pristine MoS2-based devices are unsuitable for these applications. So, they need some improvements, i.e., by adding layers or decorating with materials of complementary majority charges. In this work, we decorated pristine MoS2 with reduced graphene oxide (rGO) and got improved dark current, I-photo/dark, and response time. When we compared the performance of pristine MoS2 based device and rGO decorated MoS2 based device, the rGO/MoS2-based device showed an improved performance of responsivity of 3.36 A W-1, along with an I-photo/dark of about 154. The heterojunction device exhibited a detectivity of 4.75 x 10(12) Jones, along with a very low response time of 0.184 ms. The stability is also outstanding having the same device performance even after six months.

}, issn = {1463-9076}, doi = {10.1039/d3cp03518b}, author = {Das, Chayan and Kumar, Ashok and Kumar, Suresh and Dambhare, Neha V. and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @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 {48744, title = {Physiologically-based pharmacokinetic model for tuberculosis drug disposition at extrapulmonary sites}, journal = {CPT-Pharmacometrics \& Systems Pharmacology}, volume = {12}, year = {2023}, month = {SEP}, pages = {1274-1284}, type = {Article}, abstract = {

Tuberculosis (TB) is a leading cause of mortality attributed to an infectious agent. TB primarily targets the lungs, but in about 16\% cases can affect other organs as well, giving rise to extrapulmonary TB (EPTB). However, an optimal regimen for EPTB treatment is not defined. Although the recommended treatment for most forms of EPTB is the same as pulmonary TB, the pharmacokinetics of EPTB therapy are not as well studied. To address this gap, we formulate a whole-body physiologically-based pharmacokinetic (PBPK) model for EPTB that for the first time includes the ability to simulate drug concentrations in the pleura and lymph node, the most commonly affected sites of EPTB. Using this model, we estimate the time-dependent concentrations, at potential EPTB infection sites, of the following four first-line anti-TB drugs: rifampicin, ethambutol, isoniazid, and pyrazinamide. We use reported plasma concentration kinetics data to estimate model parameters for each drug and validate our model using reported concentration data not used for model formulation or parameter estimation. Model predictions match the validation data, and reported pharmacokinetic parameters (maximum plasma concentration, time to reach maximum concentration) for the drugs. The model also predicts ethambutol, isoniazid, and pyrazinamide concentrations in the pleura that match reported experimental values from an independent study. For each drug, the predicted drug concentrations at EPTB sites are compared with their critical concentration. Simulations suggest that although rifampicin and isoniazid concentrations are greater than critical concentration values at most EPTB sites, the concentrations of ethambutol and pyrazinamide are lower than their critical concentrations at most EPTB sites.

}, issn = {2163-8306}, doi = {10.1002/psp4.13008}, author = {Ramachandran, Aparna and Gadgil, Chetan J.} } @article {48479, title = {Polymorph II of hydroxyurea 150 years after its first synthesis}, journal = {Crystengcomm}, volume = {25}, year = {2023}, month = {MAY}, pages = {2712-2716}, type = {Article}, abstract = {

A new polymorph of hydroxyurea (HU) was crystallized 150 years after its first synthesis. Due to its medicinal use in neoplastic diseases and sickle cell anemia, a high throughput screen of HU binary cocrystals was attempted. Instead of a cocrystal, an isoenergetic form II crystallized concomitantly with urea in methanol.

}, doi = {10.1039/d3ce00163f}, author = {Rai, Sunil K. and Tothadi, Srinu and Arhangelskis, Mihails and George, Christy P. and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {48800, title = {Possible handle for broadening the catalysis regime towards low temperatures: proof of concept and mechanistic studies with CO oxidation on surface modified Pd-TiO2}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG }, pages = {22040-22054}, type = {Article}, abstract = {

The present work demonstrates the effect of temperature-dependent surface modification (SM) treatment and its influence in broadening the catalysis regime with Pd-TiO2 catalysts prepared by various methods. Due to SM induced changes, a shift in the onset of CO oxidation activity as well as broadening of the oxidation catalysis regime by 30 to 65 K to lower temperatures is observed compared to the temperature required for virgin counterparts. SM carried out at 523 K for Pd-Photo-TiO2 exhibits the lowest onset (10\% CO2 production - T-10) and T-100 for CO oxidation at 360 and 392 K, respectively, while its virgin counterpart shows T-10 and T-100 at 393 and 433 K, respectively. The SMd Pd-TiO2 catalysts were investigated using X-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS) and atomic force microscopy (AFM). It is observed that diffusion of atomic oxygen into Pd-subsurfaces leads to SM and changes the nature of the surface significantly. These changes are demonstrated by work function (\& phi;), surface potential, catalytic activity, and correlation among them. UPS results demonstrate the maximum increase in \& phi; by 0.5 eV for Pd-Photo-TiO2 after SM, compared to all other catalysts. XPS study shows a moderate to severe change in the oxidation states of Pd due to atomic oxygen diffusion into the subsurface layers of Pd. Kelvin probe force microscopy (KPFM) study also reveals corroborating evidence that the surface potential increases linearly with increasing temperature deployed for SM up to 523 K, followed by a marginal decrease at 573 K. The \& phi; measured by KPFM and UPS shows a similar trend and correlates well with the changes in catalysis observed. Our results indicate that there is a strong correlation between surface physical and chemical properties, and \& phi; changes could be considered as a global marker for chemical reactivity.

}, issn = {1463-9076}, doi = {10.1039/d3cp01122d}, author = {Mhamane, Nitin B. B. and Panchal, Suresh and Kolekar, Sadhu K. K. and Ranjan, Ravi and Salgaonkar, Kranti N. N. and Burange, Anand S. S. and Nalajala, Naresh and Datar, Suwarna and Gopinath, Chinnakonda S. S.} } @article {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 {48470, title = {Potential role of lewis acid-base adducts in enhancing stereoselectivity in ziegler-natta catalysts: a DFT study}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {APR}, pages = {7220-7229}, type = {Article}, abstract = {

Ziegler-Natta (Z-N) systems have been well established as heterogeneous catalysts that produce isotactic polypropylene and polyethylene with great efficiency. Such systems benefit considerably from donors (Lewis bases), whose addition significantly improves the stereoselectivity of polymerization. There is a consensus that the primary role of the external donors is to coordinate at the vacant site created by the extraction of internal donors and thus maintain the stereoselectivity. However, the bite difference between internal donors such as phthalates or succinate derivatives and external donors such as alkoxysilanes raises the question of how external donors can effectively replace internal donors. In order to investigate this, we have chosen four external alkoxysilane donors: (1) diisopropyl dimethoxysilane, (2) dicyclopentyl dimethoxysilane, (3) disec-butyl dimethoxysilane, and (4) sec-butyl(methyl) dimethoxysilane. DFT studies reveal that the bite difference problem can be overcome by the favorable formation of adducts between the alkoxysilane external donors and AlEt2Cl in the Z-N systems. These adducts tend to coordinate in the vicinity of the active site. Furthermore, our findings demonstrate the potential of these Lewis acid-base adducts to enhance the stereoselectivity of Z-N catalysts significantly.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c00814}, author = {Raj, K. Vipin and Gupta, Virendra Kumar and Vanka, Kumar} } @article {48740, title = {Quantum dot (Aun/Agn, n=3-8) capped single lipids: interactions and physicochemical properties}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG}, pages = {22294-22303}, type = {Article}, abstract = {

Realizing the potential of nano-hybrid biomaterials in various applications (nanoprobes to drug delivery), special attention has been devoted towards their synthesis and development. Nonetheless, several questions pertaining to the interface chemistry between the constituent entities (biomolecules and organic/inorganic part) of these hybrids, still remain unresolved. Keeping these unsolved issues in mind, the present theoretical investigation focuses on determining the electronic/physicochemical properties and interactions within gold and silver quantum dot-capped single lipid molecules. Quantum dots of varying sizes and shapes have been chosen and then coupled with lipid molecules (1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine (DMPE), 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol, sodium salt (DMPG)), at the choline/glycerol, carboxylate and phosphate site. It has been identified that Au Qds interact strongly as compared to Ag clusters. In addition to the type, the shape and size of the Qd also influences their attachment with lipids. Among various sites, the phosphate site provides a considerably stronger platform for the coupling of Qds. On the other hand, attachment at the choline site leads to significantly lower interaction energies. The trend noted in interaction energies coincides with the structure-electronic property analysis (interatomic bond distances, charge transfer, PO2- stretching frequencies), which further helps in deducing the nature of interactions. The molecular dynamics simulations performed on selected Qd-lipid complexes established that the Qd interacting with lipids at the phosphate site remains fairly stable at room temperature without undergoing fragmentation into individual components. On the other hand, at the choline site, the Qd-to-lipid coupling is unstable and therefore they experience disintegration at 300 K temperature. Additionally, a unique glycerol-to-phosphate site crossover is evidenced, which reaffirms that the phosphate site is selectively preferred by Qds for binding with lipid molecules.

}, issn = {1463-9076}, doi = {10.1039/d3cp01131c}, author = {Maneri, Asma H. H. and Varode, Shruti Suhas and Maibam, Ashakiran and Ranjan, Priyatosh and Krishnamurty, Sailaja and Joshi, Krati} } @article {48703, title = {Radical cascade cyclization of unactivated alkene-tethered indoles with aryldiazonium salt and sodium metabisulfite to access Azo- and Sulfonylated-2,3-Dihyro-1H-pyrrolo[1,2-a]indoles}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUN}, pages = {9123-9129}, type = {Article}, abstract = {

A method for the construction ofheterocyclic scaffold2,3-dihyro-1H-pyrrolo[1,2-a]indolesvia arylsulfonylradical-triggered cascade cyclization of unactivated alkene-tetheredindoles in the absence of any external photocatalyst has been developed.This protocol features easily accessible starting materials such assodium metabisulfite and aryldiazonium tetrafluoroborates at roomtemperature and offers good functional group compatibility, enablingthe introduction of various functionalized sulfonyl and azo groupsinto pyrrolo[1,2-a]indoles.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00759}, author = {Kumar, Pawan and Rai, Archana and Kumar, Manish and Krishna, Gamidi Rama and Das, Utpal} } @article {48782, title = {Recyclable Pd nanoparticles immobilized on amine functionalized LDH for the Suzuki-Miyaura cross-coupling reaction}, journal = {Chemical Papers}, volume = {77}, year = {2023}, month = {SEP}, pages = {5555-5569}, type = {Article}, abstract = {

In the present work, we invented a Pd nanoparticle immobilized on an amine-functionalized LDH catalyst (PdNP@NH2LDH-Al-MCM-41) for cross-coupling reactions. The palladium was grafted onto the support by treating the Pd(OAc)(2) with NH2-LDH-Al-MCM-41 in acetone at room temperature. The prepared catalyst was characterized by FT-IR, SEM, TGA, TEM, and XPS techniques. The TEM characterization of the catalyst showed the uniform distribution of PdNPs with sizes ranging from 3 to 6 nm located inside the mesoporous. The Suzuki-Miyaura cross-coupling reaction was used to demonstrate the catalytic efficiency of the prepared PdNPs@NH2-LDH-Al-MCM-41 catalyst. The prepared and analyzed catalyst showed good to excellent activity in the Suzuki-Miyaura cross-coupling reaction of various aryl bromides with different aryl boronic acids in ethanol at 80 degrees C. The catalyst showed TON up to similar to 47 and TOF similar to 47 h(-1). The catalytic results exhibited that the catalyst is completely recoverable with simple filtration. The catalytic efficiency shows a slight decrease in activity for the Suzuki-Miyaura cross-coupling reactions even after five repeated recycles. TEM images of the freshly prepared and reused catalysts (after five catalytic cycles) showed palladium nanoparticles remain unchanged at the end of the reactions. [GRAPHICS] .

}, keywords = {LDH, PdNPs, Recyclability, Suzuki-Miyaura coupling}, issn = {0366-6352}, doi = {10.1007/s11696-023-02885-2}, author = {Patil, Seema P. P. and Jadhav, Sanjay N. N. and Inamdar, Firoz A. A. and Ameen, Mohd Aatif and Rode, Chandrashekhar V. V. and Rajmane, Archana S. S. and Kumbhar, Arjun S. S.} } @article {48751, title = {Review on catalytic hydrogenation of biomass-derived furfural to furfuryl alcohol: recent advances and future trends}, journal = {Energy \& Fuels}, volume = {37}, year = {2023}, month = {JUL}, pages = {11475-11496}, type = {Review}, abstract = {

Biomass is one of the highly abundantrenewable resourcesavailablethat can be converted into several high-value-added products, includingchemicals, biofuels, and advanced materials. To achieve net-zero emissionsand improve biomass application, researchers around the world haverecently focused on expanding biomass processing techniques to value-addedproducts with the eventual goal of industrializing some of the products.In this review, we summarize lignocellulosic biomass derived furfural(FA) and its subsequent hydrogenation to furfuryl alcohol (FAL). Thiswork reviews the various types of hydrogenation catalysts and theirutility in the production of value-added products from FA. There willbe an increase in the demand for selective catalysts and process technologies,as well as an increase in the challenges during valorization, as theusage of biomass to achieve carbon neutrality increases. The reviewaims to provide a concise overview of the advancements in this fieldand the potential for sustainable FAL production. In this paper, wepresent a simple strategy for selecting catalyst systems and associatedprocess parameters that facilitate the highly efficient and selectivevalorization of FA to chemicals or fuel (bioadditives) for industrialuse.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.3c01174}, author = {Racha, Arundhathi and Samanta, Chanchal and Sreekantan, Sreejith and Marimuthu, Banu} } @article {48677, title = {Rh-catalyzed C-H functionalization of the (Pyrazol-5-yl)pyridine core of GBT-440}, journal = {Synthesis-Stuttgart}, volume = {55}, year = {2023}, month = {NOV }, pages = {3600-3609}, type = {Article}, abstract = {

The Rh-catalyzed cross dehydrogenative coupling (CDC)/alkylation of the pyrazolylpyridine unit of GBT-440 proceeded smoothly under ambient conditions and selectively on the pyrazole unit while directed by the pyridine. The scope of these reactions was established by employing simple as well as conjugated olefins for CDC and various diazo esters and the TIPS-EBX reagent for alkylation. At the outset, a focused small molecule library around the bis-heterocyclic core of GBT440 was developed via C-H functionalization.

}, keywords = {C-H activation, cross dehydrogenative coupling, diazo ester, GBT-440, Rh catalysis, TIPS-EBX}, issn = {0039-7881}, doi = {10.1055/a-2116-6734}, author = {Kalshetti, Rupali G. and Halnor, Swapnil V. and Ramana, Chepuri V.} } @article {48310, title = {Rheology and processing study on controlling material and process defects in polymer melt extrusion film casting using polymer blends}, journal = {Journal of Plastic Film \& Sheeting}, volume = {39}, year = {2023}, month = {APR}, pages = {211-240}, type = {Article}, abstract = {

The primary objective of this research paper is to control the material and process defects in polymer melt extrusion film casting (EFC) process for linear chain architecture polyethylene (PE) resins through polymer blending methodology. Extrusion film casting is a well-known industrially important manufacturing process that is used to manufacture thousands of tons of polymer/plastic films/sheets and coated products. In this research, the necking defect in an EFC process has been studied experimentally for a linear low density polyethylene (LLDPE) resin and attempts have been made to control its necking by blending in a long chain branched (LCB) low density polyethylene (LDPE) resin. The blending methodology is based on the understanding that a LDPE resin displays enhanced resistance to necking as compared to the LLDPE resin. It is found that added LDPE resin enhances necking resistance for the primary LLDPE resin. Further, as the LDPE concentration increases in the blend formulation, the necking is further reduced as compared to pure LLDPE. Analogous to past studies on EFC of linear and long chain branched architecture containing PEs, it is observed that as the LDPE is increased in the blend formulations, the formulations displayed enhanced melt elasticity and extensional strain hardening in rheological studies. It is concluded from this study that polyethylene resins having linear chain architecture can be made amenable to enhanced resistance to necking using appropriate amount of a long chain branched resins. Finally, process defects such as the draw resonance onset could be shifted to higher draw ratios as the LDPE level is increased in the LLDPE-LDPE blend formulation.

}, keywords = {Draw resonance, Extrusion, Film, linear chain, long-chain branched, melt elasticity, Necking, onset, strain hardening}, issn = {8756-0879}, doi = {10.1177/87560879221150764}, author = {Rokade, Dhammaraj and Patil, Prashant and Nandimath, Sheetal and Pol, Harshawardhan} } @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 {48764, title = {Scalable synthesis of silacyclohexanones and ready access to silicon building blocks}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {SEP }, pages = {6881-6885}, type = {Article}, abstract = {

A simple and efficient two-step method for the synthesis of silacyclohexanones starting from bis(bromoethylsilanes) using TosMIC is presented. The prepared silacyclohexanones were transformed to nine different heterocycles with silicon incorporation. In addition, the developed methodology was used for the synthesis of a sila analogue of the HDAC6 inhibitor tubastatin A.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c02561}, author = {Ramesh, Eagala and Nandawadekar, Laxman D. and Rao, Ramana Sreenivasa and Reddy, D. Srinivasa} } @article {48768, title = {Selective oxidation of 5-HMF to DFF over alkali promoted Mn nanocomposite}, journal = {Applied Catalysis A-General}, volume = {659}, year = {2023}, month = {JUN}, pages = {119180}, type = {Article}, abstract = {

Various compositions of Cs promoted Mn catalysts were synthesized and investigated for selective oxidation of 5HMF to DFF, among which Mn-Cs(80:20) was found to be most efficient giving 91 \% conversion of 5-HMF and 99 \% selectivity to DFF. Detail characterization like N2-sorption, BET surface area, TG-DTA, XRD, XPS, FE-SEM-EDX, TEM, HR-TEM, CO2-TPD, H2-TPR, O2-TPO, FTIR, Raman spectra and CH3OH-IR were done to establish structureactivity correlation. Enhanced surface area, porosity, thermal stability, dual morphologies were observed due to inclusion of Cs in Mn lattice domain which further enhanced the crystallinity, and oxygen diffusion on the surface. Mixed morphologies comprising nanoparticles (4-5 nm) and nanocubes (50-60 nm) were observed with enhanced redox potential and reduced work function due to weakening of Mn-O bonds. Significant increase in the basicity of catalyst, interfacial redox properties and lattice oxygen led to highly efficient oxidation of 5-HMF to DFF via Mars-van Krevelen mechanism at relatively milder conditions i.e. T = 90 degrees C and PO2= 200 psig. The catalyst was easily recyclable up to 7 times with minor loss in activity which was regenerated heat treatment protocol.

}, keywords = {5-HMF, Biomass, heterogeneous catalyst, polyurethane, Selective oxidation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119180}, author = {Solanki, Bhanupratap Singh and Roh, Hyun-Seog and V. Rode, Chandrashekhar} } @article {48322, title = {Spatio-temporal variation of the microbiome and resistome repertoire along an anthropogenically dynamic segment of the Ganges River, India}, journal = {Science of the Total Environment}, volume = {872}, year = {2023}, month = {MAY}, pages = {162125}, type = {Article}, abstract = {

Aquatic ecosystems are regarded as a hub of antibiotic and metal resistance genes. River Ganges is a unique riverine system in India with socio-cultural and economic significance. However, it remains underexplored for its microbiome and associated resistomes along its anthropogenically impacted course. The present study utilized a nanopore sequenc-ing approach to depict the microbial community structure in the sediments of the river Ganges harboring antibiotic and metal resistance genes (A/MRGs) in lower stretches known for anthropogenic impact. Comprehensive microbiome analyses revealed resistance genes against 23 different types of metals and 28 classes of antibiotics. The most dominant ARG category was multidrug resistance, while the most prevalent MRGs conferred resistance against copper and zinc. Seasonal differences dismally affected the microbiota of the Ganges. However, resistance genes for fosmidomycin and tetracycline varied with season ANOVA, p \< 0.05. Interestingly, 333 and 334 ARG subtypes were observed at all the locations in pre-monsoon and post-monsoon, respectively. The taxa associated with the dominant ARGs and MRGs were Pseudomonas and Burkholderia, which are important nosocomial pathogens. A substantial phage diversity for pathogenic and putrefying bacteria at all locations attracts attention for its use to tackle the dissemination of antibiotic and metal-resistant bacteria. This study suggests the accumulation of antibiotics and metals as the driving force for the emergence of resistance genes and the affiliated bacteria trafficking them. The present metagenomic as-sessment highlights the need for comprehensive, long-term biological and physicochemical monitoring and mitigation strategies toward the contaminants associated with ARGs and MRGs in this nationally important river.

}, keywords = {Antibiotics (ARGs), Bacteriophages, Heavy metals (MRGs), Metagenomics, Microbiome, River Ganges}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2023.162125}, author = {Samson, Rachel and Rajput, Vinay and Yadav, Rakeshkumar and Shah, Manan and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {48452, title = {Speed breeding opportunities and challenges for crop improvement}, journal = {Journal of Plant Growth Regulation}, volume = {42}, year = {2023}, month = {JAN}, pages = {46-59}, type = {Article}, abstract = {

Crop improvement in light of the rapidly changing climate and the increasing human population continues to be one of the primary concerns for researchers across the globe. The rate at which current crop improvement programs are progressing is essentially inadequate to meet the food demand. There is an urgent need for redesigning the crops for climate resilience and sustainable yield and nutrition. The rate of crop improvement is largely impeded owing to the long generation time taken by crop plants during the breeding process. As a solution in this direction, speed breeding is now being practiced at a large scale to reduce generation time to accommodate multiple generations of crops per year. To enhance the efficiency of breeding, researchers are now adopting an integrated approach where speed breeding is used along with modern plant breeding and genetic engineering technologies. In the present review, we have summarized the technological aspects, opportunities, and limitations associated with speed breeding. The application of speed breeding such as mapping population development, haplotype-based breeding, transgenic breeding, and genome-edited line advancement has also been discussed. Speed breeding is a promising technology that expedites the goals of food and industrial crop improvement by reducing the breeding cycles for establishing nutritional security and sustainable agriculture.

}, keywords = {Genome editing, Genomic selection, Haplotype breeding, Speed breeding, Transgenic breeding}, issn = {0721-7595}, doi = {10.1007/s00344-021-10551-8}, author = {Sharma, Shivani and Kumar, Amit and Dhakte, Priyanka and Raturi, Gaurav and Vishwakarma, Gautam and Barbadikar, Kalyani M. and Das, B. K. and Shivaraj, S. M. and Sonah, Humira and Deshmukh, Rupesh} } @article {48965, title = {Squarate-tethered enantiomeric Imido-Pd(II) cages for recognition and separation of chiral organic molecules}, journal = {Inorganic Chemistry }, volume = {62}, year = {2023}, month = {NOV }, pages = {19375-19381}, type = {Article}, abstract = {

Chiral coordination cages have emerged as an efficient platform for enantioselective processes via host-guest interactions. Here, we report an enantiomeric pair of tetrahedral cages of formula [(Pd-3[PO(N(*CH(CH3)Ph)(3)])(4)(C4O4)(6)] supported by chiral tris(imido)phosphate trianions and squarate (C4O4)(2-) linkers. These cages exhibit unusual coordination isomerism for Pd(II)-linker bonds compared with the other Pd(II) cages of this family. Further, they were employed for the recognition and separation of small chiral molecules containing various functionalities. High enantioselectivities of 67 and 41 were found in the case of R-4-hydroxydihydrofuran-2(3H)-one and S-epichlorohydrin, recognized by the R-isomer of the cage. Chiral separation studies showed remarkable enantiomeric excess values of 93 and 85\% for S-epichlorohydrin and R-4-benzyl-2-oxazolidinone, respectively, from their racemic mixtures. These studies showcase the potential of coordination cages for enantioselective applications.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03105}, author = {Jose, Cavya and Sarkar, Meghamala and Rajasekar, Prabhakaran and Tewari, Tanuja and Boomishankar, Ramamoorthy} } @article {48984, title = {Sulfonated zinc phthalocyanine coating as an efficient and ecofriendly corrosion inhibitor for copper surfaces: an in silico led design and its experimental validation}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {NOV }, pages = {17295-17307}, type = {Article}, abstract = {

The current study highlights the successful integration of an in silico design with experimental validation to create a highly effective corrosion inhibitor for copper (Cu) surfaces. The synthesized sulfonated zinc phthalocyanine (Zn-Pc) is electrochemically characterized and demonstrates an impressive 97\% inhibition efficiency, comparable to the widely used industrial corrosion inhibitor, BTA, for Cu surfaces. The corrosion inhibition is comprehensively analyzed through potentiodynamic polarization and impedance spectroscopy techniques, supported by their respective equivalent circuits. Furthermore, the sample undergoes thorough characterization using scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, contact angle measurements, and atomic force microscopy. Density functional theory calculations reveal that sulfonated Zn-Pc exhibits the highest interaction energy, underscoring its exceptional inhibition properties. These results open possibilities for utilizing computational methods to design and optimize corrosion inhibitors for protection of Cu surfaces.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c02393}, author = {Dekshinamoorthy, Amuthan and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Khatri, Praveen K. and Jain, Suman Lata and Ray, Anjan and Vijayaraghavan, Saranyan} } @article {48826, title = {Synthesis, biological evaluation and docking studies of silicon incorporated diarylpyrroles as MmpL3 inhibitors: an effective strategy towards development of potent anti-tubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {259}, year = {2023}, month = {NOV }, pages = {115633}, type = {Article}, abstract = {

Growing global demand for new molecules to treat tuberculosis has created an urgent need to develop novel strategies to combat the menace. BM212 related compounds were found to be potent anti-TB agents and they inhibit mycolic acid transporter, MmpL3, a known potent drug target from Mycobacterium tuberculosis. In order to enhance their inhibitory potency, several silicon analogues of diarylpyrroles related to BM212 were designed, synthesized, and evaluated for anti-tubercular activities. In Alamar blue assay, most of the silicon-incorporated compounds were found to be more potent than the parent compound (BM212), against Mycobacterium tuberculosis (MIC = 1.7 \& mu;M, H37Rv). Docking results from the crystal structure of MmpL3 and silicon analogues as pharmacophore model also strongly correlate with the biological assays and suggest that the incorporation of silicon in the inhibitor scaffold could enhance their potency by stabilizing the hydrophobic residues at the binding pocket. The best docking hit, compound 12 showed an MIC of 0.1 \& mu;M against H37Rv with an acceptable in vitro ADME profile and excellent selectivity index. Overall, the present study indicates that, the designed silicon analogues, especially compound 12 could be a good inhibitor for an intrinsically flexible drug-binding pocket of MmpL3 and has potential for further development as anti-tubercular agents.

}, keywords = {antibiotic, BM212, docking studies, MmpL3 inhibitor, Silicon analogue, tuberculosis}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115633}, author = {Vasudevan, N. and Motiwala, Zenia and Ramesh, Remya and Wagh, Sachin B. and Shingare, Rahul D. and Katte, Revansiddha and Anand, Amitesh and Choudhary, Sushil and Kumar, Ajay and Gokhale, Rajesh S. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {48720, title = {Synthesis of Si(IV)- and Ge(II)-substituted amines, hydrazone, and hydrazine from hypersilyl germylene}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {OCT}, pages = {2983-2990}, type = {Article}, abstract = {

This study investigates the reactivity of a hypersilyl germylene [PhC-(NtBu)(2)GeSi-(SiMe3)(3)] (1) with various organic compounds including azides, diazoalkanes, 1,2-diphenylhydrazine, and trifluoroacetophenone. The reactivity observed in these reactions is driven by the insertion of the organic fragment between a silicon and germanium bond. This leads to the formation of novel compounds, including an amine featuring three different substituents from three different elements of group 14. When reacting with Me3SiCHN2, we observed the insertion of the diazoalkane fragment in an end-on fashion into the Ge-Si bond. An analogous trend was observed in reactions with 1,2-diphenylhydrazine and trifluoroacetophenone, where the N-N and C-O fragments were inserted into the Ge-Si bond. Multinuclear NMR and single-crystal X-ray diffraction analyses were conducted to characterize the newly synthesized compounds.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00318}, author = {Ajithkumar, V. S. and Ghanwat, Pratiksha B. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48953, title = {Tailoring COFs: transforming nonconducting 2D layered COF into a conducting quasi-3D architecture via interlayer knitting with polypyrrole}, journal = {Journal of the American Chemical Society}, volume = {146}, year = {2023}, month = {DEC}, pages = {487-499}, type = {Journal Article}, abstract = {

Improving the electronic conductivity and the structural robustness of covalent organic frameworks (COFs) is paramount. Here, we covalently cross-link a 2D COF with polypyrrole (Ppy) chains to form a quasi-3D COF. The 3D COF shows well-defined reflections in the SAED patterns distinctly indexed to its modeled crystal structure. This knitting of 2D COF layers with conjugated polypyrrole units improves electronic conductivity from 10(-9) to 10(-2 )S m(-1). This conductivity boost is affirmed by the presence of density of states near the Fermi level in the 3D COF, and this elevates the COF{\textquoteright}s valence band maximum by 0.52 eV with respect to the parent 2D pyrrole-functionalized COF, which agrees well with the opto-electro band gaps. The extent of HOMO elevation suggests the predominant existence of a polaron state (radical cation), giving rise to a strong EPR signal, most likely sourced from the cross-linking polypyrrole chains. A supercapacitor devised with COF20-Ppy records a high areal capacitance of 377.6 mF cm(-2), higher than that of the COF loaded with noncovalently linked polypyrrole chains. Thus, the polypyrrole acts as a {\textquoteleft}{\textquoteleft}conjugation bridge{\textquoteright}{\textquoteright} across the layers, lowering the band gap and providing polarons and additional conduction pathways. This marks a far-reaching approach to converting many 2D COFs into highly ordered and conducting 3D ones.

}, keywords = {covalent organic frameworks, Electrical conductivity}, issn = {0002-7863}, doi = {10.1021/jacs.3c09937}, author = {Jain, Chitvan and Kushwaha, Rinku and Rase, Deepak and Shekhar, Pragalbh and Shelke, Ankita and Sonwani, Disha and Ajithkumar, Thalasseril G. and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan} } @article {48819, title = {Tale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India}, journal = {Journal of Infection and Public Health}, volume = {16}, year = {2023}, month = {AUG}, pages = {1290-1300}, type = {Article}, abstract = {

Background: Modern response to pandemics, critical for effective public health measures, is shaped by the availability and integration of diverse epidemiological outbreak data. Tracking variants of concern (VOC) is integral to understanding the evolution of SARS-CoV-2 in space and time, both at the local level and global context. This potentially generates actionable information when integrated with epidemiological outbreak data.Methods: A city-wide network of researchers, clinicians, and pathology diagnostic laboratories was formed for genome surveillance of COVID-19 in Pune, India. The genomic landscapes of 10,496 sequenced samples of SARS-CoV-2 driving peaks of infection in Pune between December-2020 to March-2022, were determined. As a modern response to the pandemic, a {\textquoteleft}{\textquoteleft}band of five{\textquoteright}{\textquoteright} outbreak data analytics approach was used. This integrated the genomic data (Band 1) of the virus through molecular phylogenetics with key outbreak data including sample collection dates and case numbers (Band 2), demographics like age and gender (Band 3-4), and geospatial mapping (Band 5).Results: The transmission dynamics of VOCs in 10,496 sequenced samples identified B.1.617.2 (Delta) and BA(x) (Omicron formerly known as B.1.1.529) variants as drivers of the second and third peaks of infection in Pune. Spike Protein mutational profiling during pre and post-Omicron VOCs indicated differential rank ordering of high-frequency mutations in specific domains that increased the charge and binding properties of the protein. Time-resolved phylogenetic analysis of Omicron sub-lineages identified a highly divergent BA.1 from Pune in addition to recombinant X lineages, XZ, XQ, and XM. Conclusions: The band of five outbreak data analytics approach, which integrates five different types of data, highlights the importance of a strong surveillance system with high-quality meta-data for understanding the spatiotemporal evolution of the SARS-CoV-2 genome in Pune. These findings have important implica-tions for pandemic preparedness and could be critical tools for understanding and responding to future outbreaks.\& COPY; 2023 Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

}, keywords = {COVID-19, Delta, Omicron, SARS-CoV-2 genomic surveillance, Variant of concern, Whole Genome Sequencing (WGS)}, issn = {1876-0341}, doi = {10.1016/j.jiph.2023.06.004}, author = {Niveditha, Divya and Khan, Soumen and Khilari, Ajinkya and Nadkarni, Sanica and Bhalerao, Unnati and Kadam, Pradnya and Yadav, Ritu and Kanekar, Jugal B. and Shah, Nikita and Likhitkar, Bhagyashree and Sawant, Rutuja and Thakur, Shikha and Tupekar, Manisha and Nagar, Dhriti and Rao, Anjani G. and Jagtap, Rutuja and Jogi, Shraddha and Belekar, Madhuri and Pathak, Maitreyee and Shah, Priyanki and Ranade, Shatakshi and Phadke, Nikhil and Das, Rashmita and Joshi, Suvarna and Karyakarte, Rajesh and Ghose, Aurnab and Kadoo, Narendra and Shashidhara, L. S. and Monteiro, Joy Merwin and Shanmugam, Dhanasekaran and Raghunathan, Anu and Karmodiya, Krishanpal} } @article {48769, title = {Taming the parent oxoborane}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {5894-5898}, type = {Article}, abstract = {

Despite recent advancements in the chemistry of multiply bound boron compounds, the laboratory isolation of the parent oxoborane moiety, HBO has long remained an unsolved and well-recognized challenge. The reaction of 6-SIDipp(.)BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl)tetrahydropyrimidine2-ylidene] with GaCl3 afforded an unusual boron-gallium 3c-2e compound (1). The addition of water to 1 resulted in the release of H-2 and the formation of a rare acid stabilized neutral parent oxoborane, LB(H)]O (2). Crystallographic and density functional theory (DFT) analyses support the presence of a terminal B=O double bond. Subsequent addition of another equivalent of water molecule led to hydrolysis of the B-H bond to the B-OH bond, but the {\textquoteleft}B=O{\textquoteright} moiety remained intact, resulting in the formation of the hydroxy oxoborane compound (3), which can be classified as a monomeric form of metaboric acid.

}, issn = {2041-6520}, doi = {10.1039/d3sc01544k}, author = {Kundu, Gargi and Amrutha, P. R. and Raj, K. Vipin and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {49083, title = {Targeted metabolite profiling and de novo transcriptome sequencing reveal the key terpene synthase genes in medicinally important plant, Couroupita guianensis Aubl}, journal = {Plant Genetic Resources-Characterization and Utilization}, volume = {21}, year = {2023}, month = {DEC}, pages = {558-570}, type = {Article}, abstract = {

The Lecythidaceae family tree, Couroupita guianensis Aubl, popularly known as Nagpushpa, is a widely cultivated ornamental tree with several uses in traditional medicine. The tree is revered as highly sacred in Indian traditional culture due to its uniquely shaped, fragrant flowers. Considering the significance, we were prompted to carry out the metabolite and transcriptome analysis of Nagapushpa. The flower, petals, stamen, stem and leaf of C. guianensis were metabolically profiled, and it was discovered that the flower tissue contained the highest terpenoid reservoir. A number of terpenoid pathway transcripts were also found in the flower tissue after transcriptome profiling. KEGG pathway mapping was carried out to correlate transcript sequences with the biosynthesis of different types of terpenes. We were able to clone three full-length terpene synthase gene candidates, i.e. monoterpene ocimene synthase, diterpene ent-kaurene synthase and sesquiterpene farnesene synthase. The transcript expression of selected terpene synthase genes was also verified in flower tissue. These cloned sequences were used for in silico structural investigations and protein function prediction at the level of 3D structure. The data presented in this study provide a comprehensive resource for the metabolic and transcriptomic profiles of C. guianensis. The study paves the way towards the elucidation of terpene biosynthetic pathway in C. guianensis and heterologous production of useful terpenoids in the future.

}, keywords = {Couroupita guianensis Aubl, flower, Metabolite profiling, terpene synthases, Transcriptomics}, issn = {1479-2621}, doi = {10.1017/S1479262123000953}, author = {Thulasiram, Hirekodathakallu V. and Karegaonkar, Shrikant Jagannathrao and Sharma, Poojadevi and Kumar, Ashish and Ramkumar, Sudha and Pandreka, Avinash} } @article {48737, title = {Tetraalkylammonium-based dicationic ionic liquids (ILs) for CO2 capture}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL }, pages = {12944-12954}, type = {Article}, abstract = {

This investigation includes the synthesis and characterization of a new series of ionic liquids (ILs) based on the tetraalkylammonium dication for the absorption of CO2, a step towards the development of more efficient and sustainable technologies. It was possible to synthesize amine-substituted PEG diacrylate by modifying poly(ethylene glycol) (PEG), which was then quaternized with 1-bromopentane to produce the IL PDBr. The other IL products, PDNTf2, PDBF4 and PDPF6, were synthesized via the metathesis of PDBr with the appropriate salt. The synthesized products were characterized using various techniques, such as FTIR, H-1 and C-13 NMR, elemental analysis, and density and viscosity meters, and evaluated as potential sorbents for CO2 capture. DSC and TGA were used to examine the thermal properties of the ILs. As observed from their thermal degradation behavior, the ILs exhibited two-stage disintegration with thermal stability up to 150 \& DEG;C. The pressure drop method was used to study the sorption capacity of the ILs towards CO2. The sorption investigation showed that when the pressure is increased, the CO2 absorption increases. Equilibrium is reached in 40 minutes, demonstrating a rapid absorption rate. The IL with the [BF4](-) anion (PDBF4) demonstrated a maximum sorption capacity of 0.577 mole fraction of CO2, and can be regenerated and reused efficiently with less than 0.5\% variation from its original absorption capacity. The CO2 absorption capacity for the ILs with other anions follows the trend: Br \& AP; NTf2 \< PF6 \< BF4. This work shows that tetraalkylammonium-based dicationic ILs are adaptable, making them a suitable material for many applications, including sustainable CO2 capture technology.

}, issn = {1144-0546}, doi = {10.1039/d3nj01552a}, author = {Kulkarni, Prashant S. and Ranjane, Prathamesh and Mishra, Karun and Sundararajan, Swati and Kamble, Sanjay} } @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 {48332, title = {Thermally constructed stable Zn-doped NiCoOx-z alloy structures on stainless steel mesh for efficient hydrogen production via overall hydrazine splitting in alkaline electrolyte}, journal = {Journal of Colloid and Interface Science}, volume = {640}, year = {2023}, month = {JUN }, pages = {737-749}, type = {Article}, abstract = {

Hydrogen has a high energy density of approximately 120 to 140 MJ kg(-1), which is very high compared to other natural energy sources. However, hydrogen generation through electrocatalytic water splitting is a high electricity consumption process due to the sluggish oxygen evolution reaction (OER). As a result, hydrogen generation through hydrazine-assisted water electrolysis has recently been intensively investigated. The hydrazine electrolysis process requires a low potential compared to the water electrolysis process. Despite this, the utilization of direct hydrazine fuel cells (DHFCs) as portable or vehicle power sources necessitates the development of inexpensive , effective anodic hydrazine oxidation catalysts. Here, we prepared oxygen-deficient zinc-doped nickel cobalt oxide (Zn-NiCoOx-z) alloy nanoarrays on stainless steel mesh (SSM) using a hydrothermal synthesis method followed by thermal treatment. Furthermore, the prepared thin films were used as electrocatalysts , the OER and hydrazine oxidation reaction (HzOR) activities were investigated in three-and two-electrode systems. In a three-electrode system, Zn-NiCoOx-z/SSM HzOR requires-0.116 V (vs RHE) potential to achieve a 50 mA cm(-2) current density, which is dramatically lower than the OER potential (1.493 V vs RHE). In a two-electrode system (Zn-NiCoOx-z/SSM(-)IIZn-NiCoOx-z/SSM(+)), the overall hydrazine splitting potential (OHzS) required to reach 50 mA cm(-2) is only 0.700 V, which is dramatically less than the required potential for overall water splitting (OWS). These excellent HzOR results are due to the binder-free oxygen-deficient Zn-NiCoOx-z/ SSM alloy nanoarray, which provides a large number of active sites and improves the wettability of cat-alysts after Zn doping. (C) 2023 Elsevier Inc. All rights reserved.

}, keywords = {Hydrazine Oxidation Reaction, hydrogen evolution reaction, Oxygen Evolution Reaction, Oxygen-Deficient Materials, Zinc Doping}, issn = {0021-9797}, doi = {10.1016/j.jcis.2023.02.142}, author = {Kashale, Anil Ashok and Rasal, Akash Sanjay and Hsu, Fei-Chien and Chen, ChangChun and Kulkarni, Sayali Nitin and Chang, Chun Hao and Chang, Jia-Yaw and Lai, Yuekun and Chen, I. -Wen Peter} } @article {48788, title = {Total and diverted total synthesis of pyrrolo-quinazolinone alkaloids and their analogues}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {SEP }, pages = {e202301818}, type = {Article}, abstract = {

A short and expeditious total and diverted total synthesis of luotonin, vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone intermediate which was accessed from simple substituted anthranilamide obtained from the coupling of \& beta;-alanate with isatoic anhydride followed by Dieckmann condensation chemistry of the resulting diester. The tricyclic ketone exhibited interesting chemical properties, e. g. keto-enol tautomerism. Friedlander condensation and Fischer-Indolization were employed for further annulations to access polycyclic alkaloids and their analogues. A short and expeditious total and diverted total synthesis of Luotonin, Vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone ketone that was accessed via Dieckmann condensation chemistry of the diester which was in turn obtained from the isatoic anhydride followed by cyclodehydration. The keto-enol tautomerism of the tricyclic ketone has been studied through 1H NMR. Friedlander condensation and Fischer-Indolization were employed for further annulations on to the tricyclic ketone to yield luotonins and nor-rutaecarpines in good yields.image

}, keywords = {Luotonin, Quinazolinone, Rutaecarpine, Total synthesis, Vasicinone}, issn = {2365-6549}, doi = {10.1002/slct.202301818}, author = {Rasapalli, Sivappa and Huang, Yanchang and Sammeta, Vamshikrishna Reddy and Alshehry, Reem and Anver, Fazmina and Shivasankar, Krishnamoorthy and Chavan, Subash P.} } @article {48801, title = {Total synthesis and absolute configuration determination of the α-glycosidase inhibitor (3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl (Z)-2-Methylbut-2-enoate from Ageratina grandifolia}, journal = {Journal of Natural Products}, volume = {86}, year = {2023}, month = {JUN}, pages = {1878-1883}, type = {Article}, abstract = {

Herein, we report the first total synthesis of \& alpha;-glycosidaseinhibitor (3R, 4S)-6-acetyl-3-hydroxy-2,2-dimethylchroman-4-yl(Z)-2-methylbut-2-enoate as well as its enantiomer.Our synthesis confirms the chromane structure separately proposedby Navarro-Vazquez and Mata, on the basis of DFT computations. Furthermore,our synthesis allowed us to determine the absolute configuration ofthe natural compound as (3S, 4R)and not (3R, 4S).

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.3c00236}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {48274, title = {Ultra-fast electro-reduction and activation of graphene for high energy density wearable supercapacitor asymmetrically designed with MXene}, journal = {Carbon}, volume = {203}, year = {2023}, month = {JAN}, pages = {191-201}, type = {Article}, abstract = {

Controlled perforation of graphene is vital to surpass the performance of supercapacitors that rely on their pristine form. However, their practical utilization has been halted by energy-inefficient and lengthy processing. Here, we are reporting a pulse Joule heating strategy for on-site reduction and activation to realize a multimodal porous framework made of perforated graphene using millisecond current pulses. The multimodal porosity and surface functionalities of graphene were regulated at an ultrafast rate by passing a transient current. Asdeveloped ready-to-use electrode composed of nano-to-macro multimodal porosity displays high areal capacitance of 380.2 mF cm-2 in symmetric two-electrode configuration, which is nearly 1.6 times higher than the nonelectro activated counterpart. Furthermore, a high-performance wearable asymmetric supercapacitor with an areal energy density of 107.8 mu Wh cm-2 was realized using this multimodal porous graphene in combination with suitable negative electrodes made of MXene. High energy density, together with stable and repeatable performance of the wearable device for 10000 cycles of charge-discharge and 5000 cycles of bending, signifies the importance of the as-developed device for practical wearable applications. Direct, simple processing of electrodes and orders of magnitude lower cost-and-processing-time can make the process appealing for practical wearable and other energy storage applications.

}, keywords = {asymmetric supercapacitor, Graphene activation, Joule heating, Solid-state supercapacitor, Wearable device}, issn = {0008-6223}, doi = {10.1016/j.carbon.2022.11.054}, author = {Karim, Golam Masud and Dutta, Pronoy and Majumdar, Abhisek and Patra, Amalika and Deb, Sujit Kumar and Das, Snehasish and Dambhare, Neha V. and Rath, Arup K. and Maiti, Uday Narayan} } @article {48802, title = {Unleashing methylammonium-guanidinium lead iodide hybrid perovskite spherulitic microstructures: a structural and morphological investigation}, journal = {MRS Communications}, volume = {13}, year = {2023}, month = {JUN}, pages = {406-415}, type = {Article}, abstract = {

Perovskites can offer an attractive replacement option for existing commercial solar technologies. Herein microstructure plays an important role in improving the efficiency and stability of solar cells. Previously unidentified spherulitic microstructures of self-assembled polycrystalline perovskites are explored in this report. For this an intermediate phase of a promising guanidinium (GUAI)-rich perovskite has been investigated for its structural and morphological properties. This study infuses new insight into the evolution of perovskite microstructure from heterogeneity to homogeneity, as a result unravels the structure of perovskite embryonic spherulites, lamellar arrangements, transcrystalline nature, novel spherulites bridging, hole nucleation, impingement, and defects.

}, keywords = {Microstructure, Morphology, Nucleation \& growth, Perovskites, Phase transformation, X-ray diffraction (XRD)}, issn = {2159-6859}, doi = {10.1557/s43579-023-00375-w}, author = {Mukul, Monika and Kaliaperumal, Selvaraj and Rani, Mamta and Tripathi, Surya Kant} } @article {48269, title = {Unlike RNA-TBA (rTBA), iso-rTBA, the 2 {\textquoteleft}-5 {\textquoteleft}-linked RNA-thrombin-binding aptamer, is a functional equivalent of TBA}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB}, pages = {1461-1464}, type = {Article}, abstract = {

An antiparallel, functional RNA G-quadruplex of the 2 {\textquoteleft}-5 {\textquoteleft}-linked thrombin-binding aptamer (iso-rTBA) is reported for the first time. It can inhibit clotting and is remarkably stable to nuclease-degradation, besides having high thermal stability. It is thus, a superior candidate to TBA, rTBA or isoTBA, for further development as an anticoagulant.

}, issn = {1359-7345}, doi = {10.1039/d2cc05718b}, author = {Wagh, Atish A. A. and Kumar, Vaijayanti A. A. and Ravindranathan, Sapna and Fernandes, Moneesha} } @article {48491, title = {Wadsworth-emmons reaction by using the fluorapatite catalyst: kinetic studies}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {MAY }, pages = {7901-7911}, type = {Article}, abstract = {

Wadsworth-Emmons reaction was successfully carriedout byusing the fluorapatite (FAP) catalyst. The reaction of 2-methoxybenzaldehydeand triethylphosphonoacetate using FAP afforded \& alpha;,\& beta;-unsaturatedester with 100\% conversion and 80\% selectivity. A kinetic model wasvalidated at different temperatures by Langmuir-Hinshelwood-Hougen-Watson(LHHW), and the absence of mass transfer resistance was verified bythe Weisz Prater criterion. The effect of different catalysts, temperature,catalyst loading, solvent, mole ratio, and speed of stirring was studied.The FAP catalyst was characterized by Fourier transform infrared spectroscopy,Brunauer-Emmett-Teller method, nitrogen adsorption-desorption,transmission electron microscopy, energy-dispersive X-ray spectroscopy,temperature programmed desorption (TPD-NH3), X-ray diffraction,and X-ray photoelectron spectroscopy. The FAP catalyst was found tobe stable up to three recycles with no loss in activity.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c00407}, author = {Vishwakarma, Rakhi and Vinod, Chathakudath P. and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @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 {49314, title = {Accessing meta -enone-substituted anisoles using ArN 2 BF 4 as precatalyst via rearrangement of alkyne-tethered cyclohexadienones}, journal = {Synthesis-Stuttgart}, volume = {56}, year = {2024}, month = {AUG }, pages = {2499-2506}, type = {Article}, keywords = {alkyne-tethered cyclohexadienone, diazonium salt, rearrangement, substituted anisoles}, issn = {0039-7881}, doi = {10.1055/a-2331-9439}, author = {Rai, Archana and Das, Utpal} } @article {49289, title = {Aromatic (co)polycarbonates bearing pendant 2,3-dimethylmaleimido group based upon a new phthalimidine-containing "cardo" bisphenol}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {61}, year = {2024}, month = {OCT }, pages = {795-804}, type = {Article}, abstract = {

A new {\textquoteleft}{\textquoteleft}cardo{\textquoteright}{\textquoteright} bisphenol viz., 1-(2-(1,1-bis(4-hydroxyphenyl)-3-oxoisoindolin-2-yl)ethyl)-3,4-dimethyl- 1H-pyrrole-2,5-dione (PPH-MA) was synthesized in a two-step reaction sequence starting from phenolphthalein. PPH-MA was utilized as a step-growth monomer for the synthesis of a homo- and fourco-polycarbonates bearing pendant 2,3-dimethylmaleimido groups (PC-MAs) via solution polycondensation of PPH-MA or various mol \% compositions of PPH-MA and bisphenol-A, respectively, with triphosgene.H-1 NMR spectroscopy confirmed the chemical structure and composition of PC-MAs. Inherent viscosity and number average molecular weight values of PC-MAs were in the range 0.45-0.64 dL g(-1) and 18,300 - 36,200 g mol(-1), respectively, indicating the formation of polymers of medium to reasonably high molecular weights. Tough, transparent and flexible films of PC-MAs could be cast from chloroform solution. X-ray diffraction studies indicated the amorphous nature of PC-MAs. The 10\% weight loss temperature (T-10) values of PC-MAs were in the range 373-443 degrees C indicating their good thermal stability.

}, keywords = {(co)polycarbonates, 2, 3-dimethylmaleimido, phenolphthalein, phthalimidine ring, {\textquoteleft}{\textquoteleft}cardo{\textquoteright}{\textquoteright} bisphenol}, issn = {1060-1325}, doi = {10.1080/10601325.2024.2401541}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {49403, title = {Aromatic (Co)polycarbonates bearing pendant norbornenyl groups: Synthesis, characterization and post-polymerization modification}, journal = {High Performance Polymers}, year = {2024}, month = {AUG}, type = {Article; Early Access}, abstract = {

A homo- and three co-polycarbonates (PC-NBs) bearing pendant norbornenyl groups were synthesized via solution polycondensation of triphosgene with 4, 4{\textquoteright}-(bicyclo (2.2.1) hept-5-en-2 yl methylene) bis (2-methoxyphenol) (BPA-NB) or various mol \% compositions of BPA-NB and bisphenol-A, respectively. 1H-NMR spectroscopy confirmed the chemical structure and composition of PC-NBs. Inherent viscosity and number-average molecular weight (Mn) values of PC-NBs were in the range 0.44 - 0.64 dL g-1 and 21,800 - 34,100 g mol-1, respectively, indicating the formation of polymers of medium to reasonably high molecular weights. Tough, transparent, and flexible films of PC-NBs could be cast from chloroform solution. X-Ray diffraction studies indicated the amorphous nature of PC-NBs. Glass transition temperature (Tg) values, determined by DSC analysis, of PC-NBs were in the range 154 - 175 degrees C and Tg values increased with the increase in mol \% of BPA-NB. The post-polymerization modification of a representative PC-NB was demonstrated using 3,6-diphenyl-1,2,4,5-tetrazine via tetrazine-ene reaction.

}, keywords = {(co)polycarbonates, norbornenyl groups, post-polymerization modification, tetrazine-ene click reaction, thermoplastics}, issn = {0954-0083}, doi = {10.1177/09540083241279209}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {49652, title = {Attempted synthesis of the central 2,2-disubstituted pseudoindoxyl core of Austamide via a [Au]-catalyzed nitroalkyne cycloisomerization and intramolecular [3+2]-cycloaddition}, journal = {Tetrahedron}, volume = {167}, year = {2024}, month = {NOV }, pages = {134301}, type = {Article}, abstract = {

Herein, we describe an Au-catalyzed cycloisomerization process of a nitroalkyne that was projected to construct the central 2,2-disubstituted pseudoindoxyl core of the natural product Austamide. Our intended strategy for forging the pseudoindoxyl core is based on the nitroalkyne cycloisomerization followed by a subsequent intramolecular [3 + 2] cycloaddition. However, the [3 + 2] cycloaddition occurred in an undesired manner, ultimately leading to a complex hexacyclic scaffold.

}, keywords = {Austamide, Gold catalysis, Intramolecular [3+2] cycloaddition, Nitroalkyne cycloisomerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2024.134301}, author = {Halnor, Swapnil V. and Ramana, Chepuri V.} } @article {49419, title = {Bimetallic and plasmonic Ag and Cu integrated TiO2 thin films for enhanced solar hydrogen production in direct sunlight}, journal = {Energy Advances}, volume = {3}, year = {2024}, month = {APR}, pages = {829-840}, type = {Article}, abstract = {
Plasmonic metal nanoparticle-integrated mesoporous TiO2\ nanocomposites (Ag/TiO2, Cu/TiO2\ and Ag{\textendash}Cu/TiO2), prepared by a simple chemical reduction method, have been demonstrated to show superior activity in thin-film form for solar H2\ generation in sunlight. Integration of Ag + Cu on TiO2\ significantly enhances the solar H2\ production due to the combined SPR effect of both metal species and the possible synergistic interaction among Cu + Ag in Ag{\textendash}Cu/TiO2. TiAgCu-1 (0.75 wt\% Ag and 0.25 wt\% Cu on TiO2) showed the highest H2\ yield of 6.67 mmol h-1\ g-1\ and it is 43 times higher than that of bare TiO2. The thin-film form of TiAgCu-1 shows 5 times higher solar H2\ production than its powder counterpart. 1 wt\% of Ag or Cu on TiO2\ shows a H2\ yield of 4.6 or 2 mmol h-1\ g-1, respectively, which underscores the importance of combined or synergistic effects. The increase in solar H2\ generation in Ag{\textendash}Cu/TiO2\ is attributed to factors such as the SPR effect of Cu and Ag, and strong interaction between Ag and Cu. The high photocatalytic efficiency of the TiAgCu-1 thin film is attributed to the large dispersion of metallic species with relatively high Ag/Cu surface atomic ratio, enhanced light absorption, a heterogeneous distribution of Ag and Cu species, and high double layer capacitance. The inter particle mesoporous network increases the interfacial charge transfer and reduces the mass transfer limitations. The plausible photocatalytic reaction mechanism could involve the combination of direct electron transfer from metal (Cu/Ag) to TiO2\ as well as the significant field effect due to the Ag{\textendash}Cu alloy, which is expected to increase the electron excitation locally.
Plasmonic metal nanoparticle integrated mesoporous TiO2\ nanocomposites (Ag/TiO2, Cu/TiO2\ and Ag{\textendash}Cu/TiO2), prepared by a simple chemical reduction method, have been demonstrated to show superior activity in thin-film form for solar H2\ generation.

}, doi = {https://doi.org/10.1039/d4ya00056k}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Arun, Pushkaran S. and Vijaykumar, Aparna and Mathew, Thomas and Gopinath, Chinnakonda S.} } @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 {49448, title = {Calcination temperature impacting the structure and activity of CuAl catalyst in aqueous glycerol hydrogenolysis to 1,2-propanediol}, journal = {Topics in Catalysis}, volume = {68}, year = {2024}, month = {NOV}, pages = {318-331}, type = {Article}, abstract = {

This study investigated the impact of calcination temperature on the structural properties of CuAl catalyst which was found to be a robust nano-structured catalyst calcined directly without ramping at 400 {\textdegree}C and performed exceedingly well for aqueous phase hydrogenolysis of glycerol. Various samples of CuAl catalysts were prepared by co-precipitation at Cu: Al molar ratio 1:1 and were calcined at different temperatures (300{\textendash}1000 {\textdegree}C). The obtained catalysts were reduced at 200 {\textdegree}C before their activity testing for glycerol hydrogenolysis reaction. To correlate the structure-activity, the catalysts were thoroughly characterized by XRD, XPS, BET, TEM, H2-TPR, NH3-TPD, and pyridine FTIR. It was observed that with an increase in calcination temperature from 300 to 700\ {\textdegree}C, the glycerol conversion also increased from 47 to 55\% with 93\% selectivity to 1,2-PDO. The better performance of these catalysts was mainly related to the predominant presence of Br{\o}nsted acid sites, an appropriate ratio of the Cu0\ to CuAl2O4 + CuO (0.33) and CuAl2O4\ to CuO phases (0.35), the existence of Cu2O phase and the smaller Cu0\ particle size. It was shown that altering the ramping rate for the calcination temperature of 400\ {\textdegree}C impacted the catalytic activity. The CuAl-400 (DC) (direct calcined) catalyst exhibited a maximum glycerol conversion of 60\%.

}, doi = {https://doi.org/10.1007/s11244-024-02032-5}, author = {Mane, Rasika and Potdar, Aparna and Jeon, Yukwon and Rode, Chandrashekhar} } @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 {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 {49453, title = {Computational modeling of sodium-ion-channel-based glucose sensing biophysics to study cardiac pacemaker action potential}, journal = {Mathematical and Computational Applications}, volume = {29}, year = {2024}, month = {SEP}, type = {Article}, abstract = {

Elevated blood glucose levels, known as hyperglycemia, play a significant role in sudden cardiac arrest, often resulting in sudden cardiac death, particularly among those with diabetes. Understanding the internal mechanisms has been a challenge for healthcare professionals, leading many research groups to investigate the relationship between blood glucose levels and cardiac electrical activity. Our hypothesis suggests that glucose-sensing biophysics mechanisms in cardiac tissue could clarify this connection. To explore this, we adapted a single-compartment computational model of the human pacemaker action potential. We incorporated glucose-sensing mechanisms with voltage-gated sodium ion channels using ordinary differential equations. Parameters for the model were based on existing experimental studies to mimic the impact of glucose levels on pacemaker action potential firing. Simulations using voltage clamp and current clamp techniques showed that elevated glucose levels decreased sodium ion channel currents, leading to a reduction in the pacemaker action potential frequency. In summary, our mathematical model provides a cellular-level understanding of how high glucose levels can lead to bradycardia and sudden cardiac death.

}, doi = {https://doi.org/10.3390/mca29050084}, author = {Mahapatra, Chitaranjan and Shanmugam, Kirubanandan and Rusho, Maher Ali} } @article {48908, title = {CuNPs@Al2O3-cellulose composite for the ligand-free Suzuki cross-coupling reactions in batch and continuous flow process}, journal = {Journal of Organometallic Chemistry }, volume = {1004}, year = {2024}, month = {JAN}, type = {Article}, abstract = {

In the present work, we synthesized recyclable CuNPs@Al2O3-CELL composite from an inexpensive and commercially available synthetic reagent by a simple method. The catalyst was characterized by various techniques such as TGA (Thermogravimetric analysis), SEM (Scanning electron microscope), TEM (Transmission electron microscopy), XPS (X-ray photoelectron spectroscopy), EDS (Energy dispersive spectroscopy), and AAS (Atomic Absorption Spectroscopy). The composite was applied for the Suzuki coupling reactions in the batch and flow process. The aryl halides were easily coupled with arylboronic acids in 95 \% ethanol at 78 C. We systematically investigated the role of reaction temperature, solvent, and catalyst loading, on the transient and steady-state behavior of the flow reactor through an automated flow chemistry platform. The CuNPs@Al2O3CELL catalytic particles demonstrate minimal deactivation and leaching over a continuous Suzuki coupling reaction at a 20 min nominal residence time at 100 C. Moreover, the catalyst can be recovered by simple filtration and reused at least five times with a moderate decrease in product yield. The excellent activity and stability of the catalyst have been attributed to the strong chelation of the Cu species with hydroxyl functional groups of the Al2O3-CELL composite. The catalytic system was highly efficient in Suzuki coupling of various aryl bromides with different aryl boronic acids, yielding good to excellent product yields (80-96 \%) with a TON of 15.914-19.066 and TOF of 2.649-9.533 h(-1).

}, keywords = {Continuous flow process, CuNPs@Al2O3-CELL, ligand-free, recyclable, Suzuki coupling}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2023.122954}, author = {Patil, Seema and Rajmane, Archana and Jadhav, Sanjay and Rode, Chandrashekhar and Kumbhar, Arjun} } @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 {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 {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 {49371, title = {Editorial: microbial biodiversity and bioprospecting in polar ecosystems in the genomics era}, journal = {FRONTIERS IN MICROBIOLOGY}, volume = {15}, year = {2024}, month = {OCT }, type = {Editorial }, keywords = {diversity, FJORD}, doi = {10.3389/fmicb.2024.1504105}, author = {Rizzo, Carmen and Dastager, Syed Gulam and Ay, Hilal} } @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 {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 {49413, title = {Electrocatalytic and selective oxidation of glycerol to formate on 2D 3d-metal phosphate nanosheets and carbon-negative hydrogen generation}, journal = {ACS Materials Au}, volume = {4}, year = {2024}, month = {JUN}, pages = {500-511}, type = {Article}, abstract = {

In the landscape of green hydrogen production, alkaline water electrolysis is a well-established, yet not-so-cost-effective, technique due to the high overpotential requirement for the oxygen evolution reaction (OER). A low-voltage approach is proposed to overcome not only the OER challenge by favorably oxidizing abundant feedstock molecules with an earth-abundant catalyst but also to reduce the energy input required for hydrogen production. This alternative process not only generates carbon-negative green H2\ but also yields concurrent value-added products (VAPs), thereby maximizing economic advantages and transforming waste into valuable resources. The essence of this study lies in a novel electrocatalyst material. In the present study, unique and two-dimensional (2D) ultrathin nanosheet phosphates featuring first-row transition metals are synthesized by a one-step solvothermal method, and evaluated for the electrocatalytic glycerol oxidation reaction (GLYOR) in an alkaline medium and simultaneous H2\ production. Co3(PO4)2\ (CoP), Cu3(PO4)2\ (CuP), and Ni3(PO4)2\ (NiP) exhibit 2D sheet morphologies, while FePO4\ (FeP) displays an entirely different snowflake-like morphology. The 2D nanosheet morphology provides a large surface area and a high density of active sites. As a GLYOR catalyst, CoP ultrathin (\~{}5 nm) nanosheets exhibit remarkably low onset potential at 1.12 V (vs RHE), outperforming that of NiP, FeP, and CuP around 1.25 V (vs RHE). CoP displays 82\% selective formate production, indicating a superior capacity for C{\textendash}C cleavage and concurrent oxidation; this property could be utilized to valorize larger molecules. CoP also exhibits highly sustainable electrochemical stability for a continuous 200 h GLYOR operation, yielding 6.5 L of H2\ production with a 4 cm2\ electrode and 98 {\textpm} 0.5\% Faradaic efficiency. The present study advances our understanding of efficient GLYOR catalysts and underscores the potential of sustainable and economically viable green hydrogen production methodologies.

}, doi = {https://doi.org/10.1021/acsmaterialsau.4c00024}, author = {Chauhan, Inderjeet and Vijay, Pothoppurathu M. and Ranjan, Ravi and Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @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 {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 {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 {49377, title = {Establishing a new efficiency descriptor for methanol oxidation reaction and its validation with commercially available Pt-based catalysts}, journal = {Fuel Cells}, volume = {24}, year = {2024}, month = {JUN}, type = {Article}, abstract = {

Direct methanol fuel cells (DMFCs) have received a lot of attention in recent years as promising technology for generating clean and efficient energy. In DMFC, the anode catalyst is a vital component because it is involved in the oxidation of methanol, which produces electrons that can be used as an energy source. Cyclic voltammetry (CV) is commonly used to test the characteristics of the electrode materials before they are employed in the actual fuel cell. Interestingly in the case of DMFCs CV also is a useful technique to obtain vital information about the performance and expected efficiency of the electrodes. In general, the CV of methanol electrooxidation for Pt-based catalysts has two peaks, If in the forward scan (anodic scan) and Ib in the backward scan (cathodic scan). The ratio of these two peaks (If/Ib) is the most commonly used criterion for investigating CO poisoning in catalysts. However, there is a great deal of ambiguity surrounding this criterion, owing to the genesis of Ib. Addressing this we present here a new criterion to evaluate the efficiency of the catalyst using the same CV technique. We validate this newly proposed criterion with commercial Pt/C (comm. Pt/C) and other commercially available alloy catalysts.

}, keywords = {catalyst poisoning, CO tolerance, direct methanol fuel cells, electrocatalysis, Methanol oxidation reaction}, issn = {1615-6846}, doi = {10.1002/fuce.202300199}, author = {Deshpande, Pooja S. and Radhakrishnan, Thulasi and Prasad, Bhagavatula L. V.} } @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 {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 {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 {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 {49093, title = {Highly stereoselective diels-alder-based strategy for the synthesis of 3-epi-formicin A and 1-epi-formicin B}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {APR }, pages = {3961-3965}, type = {Article}, abstract = {

The first enantioselective approach based on a highly stereoselective Diels-Alder reaction for the synthesis of 3-epi-formicin A and 1-epi-formicin B with rare N-acetylcysteamine-containing indenone thioesters is reported. The strategy utilizes a key Diels-Alder reaction to form the core hydrindane system with three contiguous stereocenters in very high levels of diastereo- and regioselectivity and one-pot oxidation/isomerization/dehydrogenation. The scope of this method was tested with different substrates to give cycloadducts in a highly diastereoselective manner.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c01209}, author = {Khamkar, Sunil L. and Handore, Kishor L. and Shinde, Harish M. and Reddy, D. Srinivasa} } @article {49639, title = {High-performance photodetector from p-n junction of vertically aligned SnS2 and reduced graphene oxide}, journal = {ACS Applied Electronic Materials}, volume = {6}, year = {2024}, month = {SEP}, pages = {6965-6973}, type = {Article}, abstract = {

Semiconducting 2D transition metal dichalcogenides (TMDC) became very popular in photodetection due to their high mobility and high rate of generating electron and hole pairs. Over the past decade, MoS2 and WS2 became the most popular TMDC for several applications. On the other hand, due to the complex synthesis process compared to MoS2 and WS2, SnS2 became a less popular 2D material for photodetection. We synthesized vertically aligned SnS2 flakes by a chemical vapor deposition (CVD) process with three temperature zones with controlled argon (Ar) gas flow. Pristine SnS2-based devices are not very suitable for photodetection applications because of their low photo-to-dark current ratio (I ph /I (dark) ), high response time, and low stability. So, they need to be decorated with oppositely doped materials. We decorated pristine SnS2-based devices with rGO nanoparticles, which significantly increased the device{\textquoteright}s performance. We found a high responsivity (R) of 1.33 A/W, detectivity (D) of 6.95 x 10(11) Jones, I ph /I dark of 102, and a rise time of 0.241 ms (fall time of 1.318 ms) with the rGO decorated SnS2-based device.

}, keywords = {2D-SnS2, CVD, p-njunction, photodetector, rGO}, doi = {10.1021/acsaelm.4c01311}, author = {Das, Chayan and Kumar, Suresh and Dambhare, Neha V. and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @article {49084, title = {Hydrogenation of furfural to tetrahydrofurfuryl alcohol over nickel-supported on organoclay catalyst}, journal = {Applied Catalysis A-General}, volume = {674}, year = {2024}, month = {MAR }, pages = {119621}, type = {Article}, abstract = {

Nickel supported on organoclay prepared by the impregnation method provides excellent catalytic activity for the hydrogenation of furfural to tetrahydrofurfuryl alcohol. The relative amount of metal and acidic sites influences the hydrogenation reaction. Additionally, by varying the temperature and the H-2 pressure, we can regulate the interaction of furfural with the active sites. And this may decide the fate of the reaction whether it will undergo a two-step hydrogenation to form tetrahydrofurfuryl alcohol or a rearrangement reaction to form cyclopentanone/cyclopentanol. Water was found to be the best solvent for the selective formation of tetrahydrofurfuryl alcohol. Even though alcohols inhibited rearrangement reaction, the hydrogenation of furfural was more selective towards furfuryl alcohol. Ni/O-clay30A under the optimum conditions of 120 degrees C, 4.0 MPa, and in 1 h offered complete conversion of furfural to tetrahydrofurfuryl alcohol.

}, keywords = {furfural, Hydrogenation, Nickel, organoclay, Tetrahydrofurfuryl alcohol}, issn = {0926-860X}, doi = {10.1016/j.apcata.2024.119621}, author = {Kamble, Paresh A. and Vinod, C. P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {49057, title = {Hydrogenation of glucose to sorbitol by using nickel hydroxyapatite catalyst}, journal = {Chemcatchem}, volume = {16}, year = {2024}, month = {MAY}, type = {Article}, abstract = {

A series of nickel hydroxyapatite catalysts were synthesized by the co-precipitation method followed by calcination and reduction. These catalysts were employed for the aqueous phase hydrogenation of glucose to sorbitol. The Ni-HAP catalyst with comparatively high surface area and acid-base strength gave high sorbitol selectivity in 1 h. Ni-HAP-4 catalyst with moderate Ni (3.5 wt. \%) content having smaller and highly dispersed nickel particles gives an excellent yield of sorbitol, 97 \% in 1 h. The Ni-HAP-4 catalyst works well with other polar protic solvents. Different characterization techniques like XRD, TEM, SEM-EDS, BET, NH3-TPD, and CO2-TPD were employed to analyze the Ni-HAP-4 catalyst. A facile hydrogenation of glucose to sorbitol has been reported with Ni-HAP catalyst using water as a solvent. The excellent yield of sorbitol, 97 \% in 1 h is possible due to the high surface area and high acid-base strength of the Ni-HAP-4 catalyst. image

}, keywords = {glucose, Hydrogenation, Hydroxyapatite (HAP), Nickel, Sorbitol}, issn = {1867-3880}, doi = {10.1002/cctc.202301590}, author = {Kamble, Paresh A. and Vinod, Chathakudath P. and Rathod, Virendra K. and Lakshmi Kantam, Mannepalli} } @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 {49041, title = {Insights into the structure of sucralfate by advanced solid- and liquid-state NMR}, journal = {Molecualr Pharmaceutics }, volume = {21}, year = {2024}, month = {FEB }, pages = {1390-1401}, type = {Article}, abstract = {

Sucralfate, which is a sucrose octasulfate aluminum complex, is an active pharmaceutical ingredient (API) falling in the category of cytoprotective agents which are very effective for gastric and duodenal ulcers. On interaction with stomach acid, it ionizes into aluminum and sucrose octasulfate ions to form a protective layer over the ulcerated region inhibiting further attack from acid. The mechanism of action of sucralfate in the context of its structure is not well understood. Considering that at least two forms of this API are available in the market, there are no reports on the various forms of sucralfate and differences in their pharmacological action. We characterized the two forms of sucralfate using multinuclear, multidimensional solid-state NMR, and the results show significant structural differences between them arising from variation in the aluminum environment and the level of hydration. The impact of structural differences on pharmacological action was examined by studying acid-induced Al release by Al-27 liquid-state NMR. The sucralfate, European pharmaceutical standard, Form I, undergoes faster disruption in acid compared to Form II. The difference is explained on the basis of structural differences in the two forms which gives significant insights into the action of sucralfate in relation to its structure.

}, keywords = {(27)AlMQMAS, H-1-H-1 DQSQ, pharmacological action, solid-stateNMR, sucralfate}, issn = {1543-8384}, doi = {10.1021/acs.molpharmaceut.3c01042}, author = {Hareendran, Chaithanya and Ravindranathan, Sapna and Ajithkumar, T. G.} } @article {49461, title = {Integrated genomic and functional analysis of Streptomyces sp. UP1A-1 for bacterial wilt control and solanaceae yield increase}, journal = {Gene Reports}, volume = {37}, year = {2024}, month = {DEC}, type = {Article}, abstract = {

Ralstonia solanacearum\ is one of the most destructive soil-borne pathogen, causing bacterial wilt to the solanaceae vegetables.\ Streptomyces\ sp. UP1A-1 isolated from healthy solanaceae rhizosphere soil, exhibited the lowest disease incidence and increased fruit yield of solanaceae vegetables. However, the genomic and functional properties of UP1A-1 are unclear. Therefore, we conducted the present study to elucidate the genomic characteristics of UP1A-1 by whole genome sequencing. The results indicate that the genome of\ Streptomyces\ sp. UP1A-1 consists of 8,252,902\ bp and contains 72.42\ \%\ G\ +\ C. We identified the genes that confer plant growth promoting (PGP) function, which include those involved in siderophore production, indole-3-acetic acid biosynthesis, phosphate solubilization, nitrogen metabolism, and potassium metabolism. We also identified several other genes, such as chitinase, peroxidase, superoxide dismutase, catalase, proline biosynthesis, and glucose dehydrogenase, which are believed to be involved in the control of wilt disease. These genes revealed that the strain UP1A-1 has physiologically adapted to varied environmental conditions and could potentially control both abiotic and biotic stresses.

}, doi = {https://doi.org/10.1016/j.genrep.2024.102012}, author = {Kaari, Manigundan and Manikkam, Radhakrishnan and Joseph, Jerrine and Krishnan, Sakthivel and Annamalai, Kishore Kumar and Khan, Abujunaid and Rajput, Vinay and Dastager, Syed Gulam and Dharne, Mahesh S. and Umar, Md and Venugopal, Gopikrishnan and Alexander, Balamurugan} } @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 {49065, title = {Intramolecular nitrone interrupted click reaction}, journal = {Organic Letters }, volume = {26}, year = {2024}, month = {MAR }, pages = {2233-2237}, type = {Article}, abstract = {

We document the intramolecular interception of a Cu-catalyzed azidoalkyne cycloaddition employing a suitably placed nitrone group, providing a simple route to the unprecedented spiro-polyheterocyclic scaffold. The reaction is comprised of a Cu-catalyzed [3 + 2]-cycloaddition of (2-azidoaryl)isatogen with a terminal alkyne and the intramolecular trapping of the transient Cu-triazolide intermediate with the isatogen, with a net formation of one C-C and two C-N bonds and the new heterocyclic ring being spiro-annulated.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c00397}, author = {Pothi, Tejas A. and Ramana, Chepuri V.} } @article {49255, title = {Kinetic H2S/CO2 selectivity in an exceptionally sterically hindered amine membrane}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {12}, year = {2024}, month = {OCT }, pages = {29138-29144}, type = {Journal Article}, keywords = {Absorption, COMPOSITE MEMBRANES, GAS STREAMS, H2S, Thin-Film}, issn = {2050-7488}, doi = {10.1039/d4ta04997g}, author = {Rao, Shraavya and Deng, Xuepeng and Zou, Changlong and Prasad, Babul and Han, Yang and Lin, Li-Chiang and Ho, W. S. Winston} } @article {49050, title = {Kinetic model of hydrogenation of glucose to sorbitol on a Ni/Bentonite catalyst}, journal = {Industrial and Engineering Chemistry Research}, volume = {63}, year = {2024}, month = {MAR }, pages = {4771-4781}, type = {Article}, abstract = {

In the present work, we studied the hydrogenation of glucose to sorbitol using a nickel/bentonite catalyst. The Ni/bentonite catalyst was prepared by the wet impregnation method and characterized by different methods to understand the catalyst surface morphology, surface area, metal content, pore size, etc. Different reaction parameters such as temperature, hydrogen pressure, metal loading, catalyst loading, and agitation speed were studied to achieve a glucose conversion of 96.8\% and a sorbitol selectivity of 95.3\%. The reusability test was performed to examine the stability of the catalyst. The kinetic models such as the Eley-Rideal and Langmuir-Hinshelwood-Hougen-Watson models were used to study the hydrogenation of glucose and activation energy required for the reaction.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c03808}, author = {Pandya, Harmitkumar and Vinod, Chathakudath Prabhakaran and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @article {48938, title = {Lanthanide mimicking by magnesium for oxazolidinone synthesis}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {JAN }, type = {Article}, abstract = {

In the last decade, magnesium complexes have emerged as a viable alternative to transition-metal catalysts for the hydrofunctionalization of unsaturated bonds. However, their potential for advanced catalytic reactions has not been thoroughly investigated. To address this gap, we have developed a novel magnesium amide compound (3) using a PNP framework that is both bulky and flexible. Our research demonstrates that compound 3 can effectively catalyze the synthesis of biologically significant oxazolidinone derivatives. This synthesis involves a tandem reaction of hydroalkoxylation and cyclohydroamination of isocyanate using propargyl alcohol. Furthermore, we conducted comprehensive theoretical calculations to gain insights into the reaction mechanism. It is important to note that these types of transformations have not been reported for magnesium and would significantly enhance the catalytic portfolio of the 7th most abundant element. A monomeric magnesium compound was employed as a catalyst for the cascade cyclization of propargylic alcohol and isocyanate, resulting in the formation of pharmaceutically significant oxazolidinone derivatives. This transformation, previously attributed solely to transition metals or lanthanides, signifies a noteworthy advancement.image

}, keywords = {catalysis, Magnesium, oxazolidinone, pincer ligand, Sustainability}, issn = {0947-6539}, doi = {10.1002/chem.202303478}, author = {Kumar, Rohit and Mahata, Biplab and Gayathridevi, S. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S.} } @article {49463, title = {Lead-free Cs2AgBiCl6 double perovskite: experimental and theoretical insights into the self-trapping for optoelectronic applications}, journal = {ACS Physical Chemistry Au}, volume = {4}, year = {2024}, month = {JUL}, pages = {476{\textendash}489}, type = {Article}, abstract = {

Lead-free double perovskites (DPs) will emerge as viable and environmentally safe substitutes for Pb-halide perovskites, demonstrating stability and nontoxicity if their optoelectronic property is greatly improved. Doping has been experimentally validated as a powerful tool for enhancing optoelectronic properties and concurrently reducing the defect state density in DP materials. Fundamental understanding of the optical properties of DPs, particularly the self-trapped exciton (STEs) dynamics, plays a critical role in a range of optoelectronic applications. Our study investigates how Fe doping influences the structural and optical properties of Cs2AgBiCl6\ DPs by understanding their STEs dynamics, which is currently lacking in the literature. A combined experimental{\textendash}computational approach is employed to investigate the optoelectronic properties of pure and doped Cs2AgBiCl6\ (Fe{\textendash}Cs2AgBiCl6) perovskites. Successful incorporation of Fe3+\ ions is confirmed by X-ray diffraction and Raman spectroscopy. Moreover, the Fe{\textendash}Cs2AgBiCl6\ DPs exhibit strong absorption from below 400 nm up to 700 nm, indicating sub-band gap state transitions originating from surface defects. Photoluminescence (PL) analysis demonstrates a significant enhancement in the PL intensity, attributed to an increased radiative recombination rate and higher STE density. The radiative kinetics and average lifetime are investigated by the time-resolved PL (TRPL) method; in addition, temperature-dependent PL measurements provide valuable insights into activation energy and exciton{\textendash}phonon coupling strength. Our findings will not only deepen our understanding of charge carrier dynamics associated with STEs but also pave the way for the design of some promising perovskite materials for use in optoelectronics and photocatalysis.

}, doi = {https://doi.org/10.1021/acsphyschemau.4c00008}, author = {Rahane, Swati N. and Rahane, Ganesh K. and Mandal, Animesh and Jadhav, Yogesh and Godha, Akshat and Rokade, Avinash and Shah, Shruti and Hase, Yogesh and Waghmare, Ashish and Saykar, Nilesh G. and Roy, Anurag and Salgaonkar, Kranti N. and Dubal, Deepak and Makineni, Surendra K. and Dzade, Nelson Y. and Jadkar, Sandesh R. and Rondiya, Sachin R.} } @article {49405, title = {Lead-free low-dimensional tetraalkylammonium manganese- and copper-based hybrid organic{\textendash}inorganic perovskites for visual fluorometric Pb2+ ion detection}, journal = {ACS Applied Optical Materials}, volume = {2}, year = {2024}, month = {JUL}, pages = {1533{\textendash}1545}, type = {Article}, abstract = {

For the first time, we have synthesized lead (Pb)-free manganese (Mn)- and copper (Cu)-based hybrid organic{\textendash}inorganic perovskite (HOIP) compounds, compound\ 1, (TEA)2MnBr4, compound\ 2, (TBA)2MnBr4, compound\ 3, (TEA)2CuBr4, and compound\ 4, (TBA)CuBr2\ (where TEA is tetraethylammonium and TBA is tetrabutylammonium), under ambient conditions via mechanochemical synthesis methodology using a Kakuhunter-made planetary mixer. The compounds are characterized as 2D except for (TBA)CuBr2, which has crystallized in the 0D lattice. The synthesized compounds are phase pure and show a stable solid-state emission at room temperature. The Mn-based perovskite compound\ 1\ showed excellent environmental photostability for over a month and reasonable stability under a relative humidity of 70{\textendash}80\%. The nanoparticle (NP) dispersions of compounds\ 1\ and\ 2\ were used further for fluorescence titration studies using various heavy metal cations, including transition metals and lanthanides (e.g., Y3+, Nb3+, Co2+, Ni2+, Ag+, Zn2+, Cd2+, Pb2+, Gd3+, and Dy3+), where they showed good fluorescence switching by the Pb2+\ ion. Compound\ 1\ demonstrated excellent fluorescence switching performance with Pb2+\ titration with a Pb2+\ detection limit of 2.43 {\texttimes} 10{\textendash}8\ M and hence can be used to fabricate a Pb2+\ calorimetric sensor. A preliminary visual thin film-based sensor using NPs of compound\ 1\ was fabricated to test the change in emission from blue to green in correlation with the results obtained in the NP solution during Pb2+\ ion sensing. A fascinating in situ ion-exchange-based mechanism for the sensitivity of NPs of compound\ 1\ is confirmed. This study reveals the ability of Pb-free Mn-based HOIPs to detect an oxidizing metal cation, Pb2+, efficiently and quantitatively.

}, doi = {10.1021/acsaom.4c00182}, url = {https://pubs.acs.org/doi/10.1021/acsaom.4c00182}, author = {Kour, Prachi and Sahu, Pragati and Dambhare, Neha V. and Rath, Arup Kumar and Mukherjee, Shatabdi Porel} } @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 {49336, title = {Magnetic chemiresistive Fe-doped In2O3 nanocubes to Tunably detect NO2 at ppm to ppb concentrations}, journal = {ACS APPLIED NANO MATERIALS}, volume = {7}, year = {2024}, month = {JUN }, pages = {14331-14343}, type = {Journal Article}, keywords = {GAS-SENSING PROPERTIES, METAL-OXIDE NANOSTRUCTURES}, doi = {10.1021/acsanm.4c01795}, author = {Rudra, Pratyasha and Dambhare, Neha V. and Srihari, Velaga and Das, Sagnik and Rath, Arup Kumar and Saha, Debdulal and Mondal, Swastik} } @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 {49105, title = {Microbial production of N-acetyl-D-glucosamine (GlcNAc) for versatile applications: biotechnological strategies for green process development}, journal = {Carbohydrate Research }, volume = {536}, year = {2024}, month = {FEB}, pages = {109039}, type = {Article}, abstract = {

N-acetyl-D-glucosamine (GlcNAc) is a commercially important amino sugar for its wide range of applications in pharmaceutical, food, cosmetics and biofuel industries. In nature, GlcNAc is polymerised into chitin biopolymer, which is one of the major constituents of fungal cell wall and outer shells of crustaceans. Sea food processing industries generate a large volume of chitin as biopolymeric waste. Because of its high abundance, chitinaceous shellfish wastes have been exploited as one of the major precursor substrates of GlcNAc production, both in chemical and enzymatic means. Nevertheless, the current process of GlcNAc extraction from shellfish wastes generates poor turnover and attracts environmental hazards. Moreover, GlcNAc isolated from shellfish could not be prescribed to certain groups of people because of the allergic nature of shell components. Therefore, an alternative route of GlcNAc production is advocated. With the advancement of metabolic construction and synthetic biology, microbial synthesis of GlcNAc is gaining much attention nowadays. Several new and cuttingedge technologies like substrate co-utilization strategy, promoter engineering, and CRISPR interference system were proposed in this fascinating area. The study would put forward the potential application of microbial engineering in the production of important pharmaceuticals. Very recently, autotrophic fermentation of GlcNAc synthesis has been proposed. The metabolic engineering approaches would offer great promise to mitigate the issues of low yield and high production cost, which are major challenges in microbial bio-processes industries. Further process optimization, optimising metabolic flux, and efficient recovery of GlcNAc from culture broth, should be investigated in order to achieve a high product titer. The current study presents a comprehensive review on microbe-based eco-friendly green methods that would pave the way towards the development of future research directions in this field for the designing of a cost-effective fermentation process on an industrial setup.

}, keywords = {Genetic engineering, GlcNAc applications, Market status, Microbial bioprocess, N-acetyl-D-glucosamine, synthetic biology}, issn = {0008-6215}, doi = {10.1016/j.carres.2024.109039}, author = {Das, Sancharini and Chowdhury, Chiranjit and Kumar, S. Pavan and Roy, Debasis and Gosavi, Suresh W. and Sen, Ramkrishna} } @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 {49383, title = {New binary adducts of panobinostat with different carboxylic acid based NSAIDs: structural analysis and physicochemical properties investigation}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {NOV}, pages = {e202403539}, type = {Article}, abstract = {

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

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

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

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

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

}, keywords = {Biocontrol, Exorista deligata, Hyposidra talaca, Invasive pest, Parasitisation}, issn = {0334-2123}, doi = {10.1007/s12600-024-01121-1}, author = {Sharma, Pooja V. and Das, Tamal and Mukherjee, Susmita and Pathan, Ejaj K. and Rahman, Azizur and Gathalkar, Ganesh B.} } @article {48933, title = {Novel sulfonic acid functionalized silica supported isonicotinic acid catalyst for conversion of 2-methylfuran to diesel fuel precursors}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {APR}, pages = {1511-1520}, type = {Article}, abstract = {

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

}, keywords = {2-Methylfuran, Diesel fuel, heterogeneous catalyst, Ionic solid, solid acid}, issn = {1011-372X}, doi = {10.1007/s10562-023-04383-2}, author = {Tarade, Komal P. and Kamble, Sanjay P. and Rode, Chandrashekhar V.} } @article {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 {49333, title = {PANI-grafted boron, nitrogen co-doped carbon fiber: An outstanding, high-performance supercapacitor electrode}, journal = {JOURNAL OF ENERGY STORAGE}, volume = {96}, year = {2024}, month = {AUG }, pages = {112668}, type = {Journal Article}, keywords = {Composite, polyaniline, Solid-state supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2024.112668}, author = {Nayan, Rajiv and Sinha, Shubhra and Dixit, Vaibhav and Satnami, Manmohan L. and Ghosh, Kallol K. and Pervez, Shamsh and Deb, Manas Kanti and Shrivas, Kamlesh and Rai, Manish K. and Yenchalwar, Sandeep G. and Wasnik, Kundan and Jadkar, Sandesh R. and Karbhal, Indrapal} } @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 {49219, title = {Photocatalytic regeneration of reactive cofactors with inP quantum dots for the continuous chemical synthesis}, journal = {ACS Catalysis}, volume = {14}, year = {2024}, month = {APR}, pages = {6740-6748}, type = {Article}, abstract = {

The shuttling of redox-active nicotinamide cofactors between the light and dark cycles is the key to the continuous production of biomass in photosynthesis. The replication of such processes in artificial photosynthetic systems demands fast photoregeneration as well as simultaneous integration of these nicotinamide cofactors into the dark cycle. Here, we report the design of an artificial photosynthetic system for the continuous production of butanol via the constant photoregeneration and consumption of nicotinamide cofactors, powered by an indium phosphide quantum dot (InP QD) photocatalyst and alcohol dehydrogenase (ADH) enzyme, respectively. A strong electrostatic attraction between the oppositely charged InP QDs and electron mediators significantly enhanced the charge extraction and utilization processes, enabling a fast (similar to 30 min, with a turn over frequency of similar to 1333 h(-1)), quantitative (\>99\%), and selective photoregeneration of enzymatically active nicotinamide cofactors in the light cycle. These photoregenerated nicotinamide cofactors were further coupled in the dark cycle to trigger the ADH oxidoreductase enzyme for the production of butanol, via sequential as well as simultaneous light-dark cycles. The amount of butanol produced under simultaneous light-dark cycles was higher than the stoichiometric limit, proving the constant regeneration and consumption of nicotinamide cofactors in light and dark cycles, respectively. Thus, a proper design and integration of the InP QD-based photocatalytic cycle with the enzymatic cycle led to the effective electron shuttling between light and dark cycles, as seen in photosynthesis.

}, keywords = {artificial photosynthesis, biologicalcofactors, charge transfer, indiumphosphide, Photocatalysis, quantum dots}, issn = {2155-5435}, doi = {10.1021/acscatal.4c00817}, author = {Chakraborty, Indra Narayan and Jain, Vanshika and Roy, Pradyut and Kumar, Pawan and Vinod, Chathakudath P. and Pillai, Pramod P.} } @article {49658, title = {Polymeric PEI/PEG coated optical fiber fabry-perot interferometer for CO2 detection}, journal = {IEEE Sensors Journal}, volume = {24}, year = {2024}, month = {DEC }, pages = {40883-40889}, type = {Article}, abstract = {

Monitoring carbon dioxide (CO2) gas is essential for numerous applications, but the detection of CO2 in miniaturized devices presents significant challenges. In this study, a polyethyleneimine/poly(ethylene glycol) (PEI/PEG) coated optical fiber Fabry-Perot interferometer (FPI) and its charge transfer process toward CO2 are investigated. Scanning electron microscopy and Fourier transform infrared spectroscopy were used to analyze the surface morphology and vibration bands of the PEI/PEG composite. The PEI/PEG composite Fabry-Perot (FP) cavity of length similar to 13 mu m is coated at the distal end of the single-mode fiber using a dip coating technique. A highly sensitive optical and low-cost FPI probe fabrication has displayed a linear sensitivity of 17.10 nm/\% in the range of 0.31\%-1.25\% CO2 gas. The response and recovery times of the sensor are in a few tens of seconds. The enhanced performance of the sensor is primarily due to the protonation and charge transfer between CO2 gas molecules and PEI/PEG composite. Due to low-cost fabrication and high sensitivity, this FPI sensor can be used in a range of potential applications in bioprocessing, healthcare, and environmental monitoring.

}, keywords = {dip coating, Fresnel{\textquoteright}s reflection, Interference, monitoring, Optical fiber sensors, Optical fibers, polymer composite, Polymers, refractive index, sensitivity, Sensor phenomena and characterization, sensors, swelling, Temperature sensors}, issn = {1530-437X}, doi = {10.1109/JSEN.2024.3478088}, author = {Pawar, Dnyandeo and Lo Presti, Daniela and Lemma, Enrico D. and Rainer, Alberto and Kumar, Ajay and Kanawade, Rajesh and Silvestri, Sergio and Schena, Emiliano and Massaroni, Carlo} } @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 {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 {49650, title = {Reaction of 4 (Alkynyloxy)cyclohexa-2,5-dienones with Dimethyl Sulfoxide: a catalyst-free formation of 6/5/3-fused tricyclic enones}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2024}, month = {DEC}, pages = {653-657}, type = {article}, abstract = {

6/5/3-Fused tricyclic enones were obtained when 4-(alkynyloxy)cyclohexa-2,5-dienones were treated with DMSO at 150 {\textdegree}C. The reaction proceeded via a four-membered oxathietene intermediate. The protocol developed is atom economical, has a broad substrate scope, and is amenable to gram-scale synthesis. The products obtained are susceptible to further synthetic transformations.

}, doi = {https://doi.org/10.1021/acs.joc.4c02553}, author = {Rai, Archana and Das, Utpal} } @article {49192, title = {Resorcinol-Azodianiline Covalent Organic Framework Supported FeOOH Quantum Dot-Catalyzed Electrochemical Ammonia Synthesis under Ambient Conditions}, journal = {CHEMISTRY OF MATERIALS}, volume = {36}, year = {2024}, month = {AUG}, pages = {8229-8238}, type = {Journal Article}, keywords = {conversion, nitrogen, Recent Progress, reduction}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.4c00859}, author = {Shekhar, Pragalbh and Kosugi, Kento and Singh, Himan Dev and Kushwaha, Rinku and Rase, Deepak and Matsuzaki, Takumi and Jain, Chitvan and Singh, Piyush and Singh, Yashraj and Vinod, Chathakudath Prabhakaran and Kondo, Mio and Masaoka, Shigeyuki and Vaidhyanathan, Ramanathan} } @article {49440, title = {Review on the recent advances in the design and structure{\textendash}activity relationship of TiO2-based photocatalysts for solar hydrogen production}, journal = {Energy Advances}, volume = {3}, year = {2024}, month = {JUN}, type = {Article}, abstract = {

The major issues that determine the efficiency of photocatalyst composite materials for solar hydrogen production, with or without a sacrificial agent, are efficient visible light harvesting properties, efficient separation of charge carriers and their utilization of redox sites, and stability. Thus, significant efforts have been devoted in the past few decades to modify the above characteristics by integrating constituent components of composites using different approaches. In the present review, we aim to summarize the recent advances, predominantly, in the area of TiO2-based photocatalyst composites for solar hydrogen production. Firstly, we present the recent progress in material integration aspects by discussing the integration of TiO2 with different categories of materials, including noble/3d metals, metal oxides/sulphides/selenides, other low bandgap semiconductors, C-based materials, and dye sensitizers. Furthermore, we discuss how material integration helps in tailoring the electronic and optical properties for activity tuning in solar H2 production. Subsequently, critical changes in the physico-chemical and electronic properties of composites with respect to their preparation methods, morphology, crystallographic facets, particle size, dopant, calcination temperature, and structure{\textendash}activity relationship to solar hydrogen production are addressed in detail. Moreover, we discuss the importance of fabricating a photocatalyst in a thin film form and performing solar hydrogen production in different reactor set-ups for enhancing its photocatalytic performance, while addressing device scalability. Despite the significant advancements made in this field, solar-to-hydrogen conversion efficiency still needs to be improved to realise the practical application of solar hydrogen production. In this case, the direct conversion of water to hydrogen via overall water splitting and renewable H2 production from wastewater or biomass components by employing suitable photocatalysts are some possible ways to improve the energy efficiency, and continuous research in the above directions is highly desirable.

}, doi = {10.1039/D4YA00249K}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Mathew, Thomas and Gopinath, Chinnakonda} } @article {49209, title = {Ru-catalyzed asymmetric transfer hydrogenation of racemic /3-keto γ-lactams via dynamic kinetic resolution}, journal = {Tetrahedron}, volume = {167}, year = {2024}, month = {NOV }, pages = {134293}, type = {Article}, abstract = {

The enantioselective transfer hydrogenation of racemic /3-keto gamma-lactams via dynamic kinetic resolution using a chiral Ru(II) catalyst has been developed for the synthesis of optically active /3-hydroxyl lactams with excellent conversion (up to 99 \%), high diastereomeric ratio (dr dr 93:07) and enantiomeric selectivity (89 \% ee ). The reaction proceeded by using HCO2H/Et3N 2 H/Et 3 N as hydrogen donor and features mild, additive free reaction conditions, fast crystallization, broad substrate scope, and an operationally simpler setup than that for molecular hydrogenation.

}, keywords = {(R)-1-((R)-Pyrrolidin-3-yl)ethan-1-ol, /3-keto gamma-lactams, Asymmetric transfer hydrogenation, Dynamic kinetic resolution, Fluroquinolone antibiotics}, issn = {0040-4020}, doi = {10.1016/j.tet.2024.134293}, author = {Malekar, V. Pushpa and More, V. Ganesh and Ramana, V. Chepuri} } @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 {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 {48966, title = {Strain improvement for enhanced erythritol production by Moniliella pollinis Mutant-58 using jaggery as a cost-effective substrate}, journal = {International Microbiology }, volume = {27}, year = {2024}, month = {APR}, pages = {581-596}, type = {Article}, abstract = {

Erythritol has been produced by various microorganisms including Yarrowia, Moniliella, Aureobasidium, and Candida strains. Due to its relatively high price, erythritol sweetener is used lesser than other polyols despite having many advantages. Therefore, in this study, Moniliella pollinis strain was improved for erythritol production by chemical mutagenesis and subsequently screening for cost-effective carbon sources for the enhanced erythritol yield. M. pollinis was subjected to N-methyl N-nitro N-nitroso guanidine (NTG), ethyl methyl sulfonate (EMS), and UV mutagenesis for improved erythritol production. The fmutant strains were evaluated for enhanced erythritol production medium optimization by using different carbon substrates at the shake flask level. To enhance the production of erythritol and statistical media, optimization was carried out using a central composite design (CCD). Among 198 isolated mutants, Mutant-58 strain generated by EMS mutagenesis was selected for further assessment. The Mutant-58 strain showed significant morphological changes as compared to the parent strain. Furthermore, statistically optimized media composition resulted in the higher production of erythritol (91.2 \& PLUSMN; 3.4 g/L) with a yield of 40.7 \& PLUSMN; 3.4 \% in shake flask experiments. The optimized medium composition for erythritol production constitutes (g/L) 225 jaggery, 4.4 yeast extract (YE), 4.4 KH2PO4, 0.31 MgSO4, and pH 5.5. The present study demonstrated strain improvement, media, and process optimization resulting in a 30\% increase in the erythritol production in the Mutant-58 as compared to the parent strain. This is also the first instance where jaggery has been used as a cost-effective carbon source alternative to glucose for industrial-scale erythritol production.

}, keywords = {Erythritol, Fermentation, Moniliella pollinis, Mutation, Optimization, renewable resource}, issn = {1139-6709}, doi = {10.1007/s10123-023-00411-8}, author = {Khatape, Anil B. and Rangaswamy, Vidhya and Dastager, Syed G.} } @article {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 {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 {49328, title = {Synthesis and processing strategy for high-bandgap PbS quantum dots: a promising candidate for harvesting high-energy photons in solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {16}, year = {2024}, month = {AUG }, pages = {42522-42533}, type = {Article}, abstract = {

The wide tunability of the energy bandgap of colloidal lead sulfide (PbS) quantum dots (QDs) has uniquely positioned them for the development of single junction and tandem solar cells. While there have been substantial advancements in moderate and narrow bandgap PbS QDs-ideal for single junction solar cells and the bottom cell in tandem solar cells, respectively; progress has been limited in high-bandgap PbS QDs that are ideally suited for the formation of the top cell in tandem solar cells. The development of appropriate high bandgap PbS QDs would be a major advancement toward realizing efficient all-QD tandem solar cells utilizing different sizes of PbS QDs. Here, we report a comprehensive approach encompassing synthetic strategy, ligand engineering, and hole transport layer (HTL) modification to implement high-bandgap PbS QDs into solar cell devices. We achieved a greater degree of size homogeneity in high-bandgap PbS QDs through the use of a growth retarding agent and a partial passivation strategy. By adjusting the ligand polarity, we successfully grow HTL over the QD film to fabricate solar cells. With the aid of an interface modifying layer, we incorporated an organic HTL for the realization of high-performance solar cells. These solar cells exhibited an impressive open-circuit voltage of 0.824 V and a power conversion efficiency of 10.7\%, marking a 360\% improvement over previous results.

}, keywords = {charge transport, lead sulfide, ligand passivation, quantum dots, solar cell}, issn = {1944-8244}, doi = {10.1021/acsami.4c09364}, author = {Shinde, Dipak Dattatray and Sharma, Anjali and Dambhare, Neha V. and Mahajan, Chandan and Biswas, Arindam and Mitra, Anurag and Rath, Arup K.} } @article {49416, title = {Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3H-indole 1-oxide}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {80}, year = {2024}, month = {MAR}, pages = {310-313}, abstract = {
An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen.
An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen, C14H8N4O2. In the crystal structure, weak C{\textemdash}H...O hydrogen bonds and π{\textendash}π stacking inter-actions link the mol-ecules. The structure exhibits disorder of the mol-ecule.

}, doi = {https://doi.org/10.1107/S2056989024001440}, author = {Dhote, Pawan and Tothadi, Srinu and Ramana, Chepuri V. and Chopra, D.} } @article {49277, title = {Synthesis of benzofuran-6-carboxylic acid, an intermediate of lifitegrast with low-carbon footprints}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {OCT}, pages = {15671-15681}, type = {Journal Article}, keywords = {benzofuran-6-carboxylicacid, dry eye disease, life cycle, lifitegrast, process development}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c06361}, author = {Zade, Vishal M. and Athawale, Paresh R. and Kopperi, Harishankar and Mohan, S. Venkata and Reddy, D. Srinivasa} } @article {49304, title = {Synthesis of tetracyclic benzoxazolo-indol-3-ones from isatogens and arynes through a [3+2]-cycloaddition and skeletal reorganization}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {OCT }, pages = {14919-14928}, type = {Article}, abstract = {

The construction of an unprecedented tetracyclic benzoxazolo-indol-3-one scaffold has been executed through the [3 + 2]-cycloaddition of isatogens with arynes. The initially formed benzisoxazolo-indol-3-one intermediate undergoes a skeletal reorganization through a 1,3-sigmatropic shift/retro-Mannich reaction with the net formation of one C-N and two C-O bonds. The Lewis acid-catalyzed allylation of some of the resulting benzoxazolo-indol-3-ones resulted in oxazepino-indolones with promising photophysical properties.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01667}, author = {Halnor, Swapnil V. and Singh, Maneesha and Dhote, Pawan S. and Ramana, Chepuri V.} } @article {49248, title = {Synthesis of Ti1-xWx solid solution MAX phases and derived MXenes for sodium-ion battery anodes}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {Behavior, CARBIDE MXENE, INTERCALATION MECHANISM, TI}, issn = {1616-301X}, doi = {10.1002/adfm.202406499}, author = {Ratzker, Barak and Favelukis, Bar and Baranov, Mark and Rathod, Yugal and Greenberg, Avia and Messer, Or and Goldstein, Dor A. and Upcher, Alexander and Ezersky, Vladimir and Maman, Nitzan and Biran, Ido and Natu, Varun and Sokol, Maxim} } @article {49063, title = {Synthetic layered double hydroxide on biodegradable support: an efficient adsorbent for defluoridation of water}, journal = {Indian Journal of Chemical Technology }, volume = {31}, year = {2024}, month = {JAN}, pages = {152-161}, type = {Article}, abstract = {

Fluoride concentrations in drinking water above permissible levels and incidences of fluorosis among people have been reported from many parts of the world including India. Low-cost and biodegradable adsorbents are the preferred choice for the removal of fluoride from an aqueous medium. In the present study, zinc-aluminium layered double hydroxide (LDH) supported on sugarcane bagasse (raw and acid-treated) has been synthesized, characterized, and investigated for the defluoridation of water. The SEM micrographs of the supported adsorbents show good dispersion of the LDH particles on the support material. The defluoridation capacity of the LDH is enhanced by supporting it on bagasse. The adsorption capacity of supported adsorbents increased by 3-fold than the unsupported LDH adsorbent. The adsorption data have been well fitted to the Freundlich isotherm model indicating physical and multi-layer adsorption. The maximum fluoride adsorption capacity has been found to be 8.85 mg/g with 76.3\% fluoride removal when the initial fluoride concentration is 11-12 mg/L. The pseudo-second-order kinetic model has been found suitable to explain the fluoride adsorption kinetics on the supported LDH adsorbents. The present study reveals that the bagasse-supported LDH adsorbent has a high potential for defluoridation of water.

}, keywords = {adsorption kinetics, Fluoride adsorption, Layered double hydroxide, Sugarcane bagasse}, issn = {0971-457X}, doi = {10.56042/ijct.v31i1.7611}, author = {Mayadevi, S. and Kirandas, M. D. and Manilal, A. M. and Roshini, N. and Mandal, Sujata} } @article {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 {49217, title = {TiO2 spaghetti for sustainable future}, journal = {Matter}, volume = {7}, year = {2024}, month = {AUG }, type = {Editorial Material}, abstract = {

TiO2 is widely utilized in applications ranging from paints to solar cells. Recent advancements in synthesizing nano-TiO2 by Badr, Barsoum, et al. have enabled its production at low cost and large scale. These nanostructures, comprising 1D lepidocrocite nanofilaments, show promise in enhancing solar water splitting and several other applications.

}, issn = {2590-2393}, doi = {10.1016/j.matt.2024.06.015}, author = {Rathod, Yugal and Natu, Varun} } @article {49082, title = {Total synthesis and revision of stereochemistry of a natural benzo[g]isochromene stereodiad isolated from rubia philippinensis}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {MAR }, pages = {2574-2579}, type = {Article}, abstract = {

This study presents a total synthesis and revision of the stereochemical configuration of the conformationally flexible natural product benzo[g]isochromene stereodiad alongside its diastereomeric counterparts. The highlights of the synthesis are the TiCl4-mediated diastereoselective aldol reaction, Pd-catalyzed lactonization, and Schmidt glycosidation. Our efforts using total synthesis disclosed herein proved that a previously assigned structure required revision.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c00553}, author = {Choudhury, Rahul and Miriyala, Satya Ravi Teja and Resmi, K. R. and Sridhar, Balasubramanian and Kasa, S. R. Krishna Murthy and Reddy, D. Srinivasa} } @article {49290, title = {Total synthesis of (-) and (+)-zingibergingerols A}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {OCT }, pages = {16923-16928}, type = {Article}, abstract = {

The first total synthesis of both of the enantiomers of Zingibergingerol A has been accomplished. The distinctive 3,7,9-trioxabicyclo[4.2.1]nonane skeleton is crafted through gold-catalyzed alkynol cycloisomerization. The synthesis comprises sequential C-C bond formations at both ends of epichlorohydrin: first opening the epoxide with eugenol-derived alkyne, followed by subsequent epoxide installation, and again opening with a Grignard reagent. The resulting alkynol with a fixed C5 stereochemistry was subjected to O-allylation, followed by dihydroxylation and alkynol cycloisomerization.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01649}, author = {Shet, Manoj N. and Ramana, Chepuri V.} } @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 {49213, title = {Trapping an elusive Fe(IV)-superoxo intermediate inside a self-assembled nanocage in water at room temperature}, journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, volume = {146}, year = {2024}, month = {JUL }, pages = {21729-21741}, type = {Journal Article}, keywords = {CATALYTIC EPOXIDATION, DIOXYGEN ACTIVATION, NONHEME IRON, X-RAY-ABSORPTION}, issn = {0002-7863}, doi = {10.1021/jacs.4c05849}, author = {Gera, Rahul and De, Puja and Singh, Kundan K. and Jannuzzi, Sergio A. V. and Mohanty, Aisworika and Velasco, Lucia and Kumar, Pankaj and Marco, J. F. and Nagarajan, Kalaivanan and Pecharroman, Carlos and Rodriguez-Pascual, P. M. and DeBBeer, Serena and Moonshiram, Dooshaye and Gupta, Sayam Sen and Dasgupta, Jyotishman} } @article {49027, title = {Tridentate NacNac tames T-shaped nickel(I) radical}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {FEB}, type = {Article}, abstract = {

The reaction of a nickel(II) chloride complex containing a tridentate beta-diketiminato ligand with a picolyl group [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]Ni(II)Cl (1)] with KSi(SiMe3)3 conveniently afforded a nickel(I) radical with a T-shaped geometry (2). The compound{\textquoteright}s metalloradical nature was confirmed through electron paramagnetic resonance (EPR) studies and its reaction with TEMPO, resulting in the formation of a highly unusual three-membered nickeloxaziridine complex (3). When reacted with disulfide and diselenide, the S-S and Se-Se bonds were cleaved, and a coupled product was formed through carbon atom of the pyridine-imine group. The nickel(I) radical activates dihydrogen at room temperature and atmospheric pressure to give the monomeric nickel hydride. A thermally stable, T-shaped, nickel(I) radical was straightforward obtained by reduction of a tridentate nacnac nickel(II) chloride with KSi(TMS)3. The metalloradical character of the compound was demonstrated by the formation of a highly unusual nickeloxaziridine complex upon addition of TEMPO. The Ni(I) species displays a rich chemistry towards activation S-S, and Se-Se bond leading to unusual C-C coupled product as well as dihydrogen activation at room temperature and atmospheric pressure to generate monomeric nickel hydride.+image

}, keywords = {C-C Bond formation, Hydrogen Activation, Metalloradical, Nickel, Tridentate nacnac}, issn = {0947-6539}, doi = {10.1002/chem.202303957}, author = {Pahar, Sanjukta and Sharma, Vishal and Raj, K. Vipin and Sangole, Mayur P. and George, Christy P. and Singh, Kirandeep and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @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 {49347, title = {Unravelling polymorphism-driven luminescence in GFP chromophore analogues: insights into the phase transition and morphology-dependent optical waveguide properties}, journal = {Journal of Materials Chemistry C}, volume = {12}, year = {2024}, month = {JUN }, pages = {8368-8379}, type = {Article}, abstract = {

The advent of multi-emission organic solid-state materials in response to external stimuli has sparked the scientific community due to their potential application in developing sophisticated optoelectronic sensors and bioanalytical tools. This article presents green fluorescent protein chromophore (GFPc) analogue-based polymorphs exhibiting significantly different emissions due to various noncovalent interactions in the supramolecular environment and conformational alterations in the crystalline state. In both compounds (A and B), the polymorphs undergo monotropic thermal phase transitions that are characterized by DSC, HSM, and VT-PXRD techniques. The distinct fluorescent emission characteristics of these polymorphs demonstrated morphology-related optical waveguiding features. Specifically, the plate-type Form A1 emitted light with a 2D blue hue, while the needle-type Form A2 emitted light with a yellowish-green colour. Additionally, the impressive waveguiding capabilities of Form B1 were explored in both straight and singly/doubly bending configurations to facilitate fluorescence propagation. Consequently, there is significant interest in developing organic materials based on GFP chromophores, which exhibit low emission in solution but display multi-fluorescent emission in the solid state. These materials are promising for applications such as optoelectronic devices, security tags, live cell imaging, and fluorescent inks. Polymorphs of GFPc analogs A and B display differences in their optical waveguiding properties in 1D and 2D depending on the crystal shapes. Furthermore, Form B1 demonstrates efficient optical waveguiding capabilities even when the crystal is bent.

}, issn = {2050-7526}, doi = {10.1039/d3tc04676a}, author = {Dabke, Niteen B. and Raut, Yash and Mali, Bhupendra P. and Pandya, Rinu and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {49299, title = {Unveiling different structural orderings in Fe5-xGeTe2}, journal = {Physical Review B}, volume = {110}, year = {2024}, month = {AUG}, pages = {075119}, type = {Article}, abstract = {

We investigate the metallic van der Waals itinerant ferromagnet Fe5-xGeTe2 5 - x GeTe 2 with atomic scale, spatially resolved low-temperature scanning tunneling microscopy (STM), and spectroscopy (STS). STM images unveil / / a new structural order 2a a x 1a a along with the known order 3a a x 3a a manifesting as nonuniform domains. STS shows spatial and energy resolved local density of states that reveal the crucial influence of Fe(1) site occupancy on the system{\textquoteright}s electronic interactions. Our magnetization measurements show magnetic anomalies at lower temperatures and identify a Curie temperature (Tc) c ) surpassing room temperature. Collectively, our results elucidate the intricate nature of Fe5-xGeTe2 5 - x GeTe 2 and underscore its potential for tunability of spintronics and high-temperature magnetic applications.

}, issn = {2469-9950}, doi = {10.1103/PhysRevB.110.075119}, author = {Walve, Vaibhav and Parakh, Piyush and Rajput, Umashankar and Mhase, Akash S. and Singh, Kirandeep and Deshpande, Aparna} } @article {49395, title = {Visible-light-induced radical sulfonylative-cyclization cascade of 1,6-Enynol derivatives with sulfinic acids: a sustainable approach for the synthesis of 2,3-disubstituted benzoheteroles}, journal = {CHEMSUSCHEM}, volume = {17}, year = {2024}, month = {OCT }, type = {Journal Article}, keywords = {1, 6-Enynols, Benzofurans, Benzothiophenes, indoles, Sulfones}, issn = {1864-5631}, doi = {10.1002/cssc.202400227}, author = {Haritha Kumari, Arram and Jagadesh Kumar, Jangam and Sharadha, Nunavath and Rama Krishna, Gamidi and Jannapu Reddy, Raju} } @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 {49629, title = {Yoga therapy attenuates the progression of diabetes - insights from proteomics and metabolomics analysis}, journal = {International Journal of Yoga}, volume = {17}, year = {2024}, month = {DEC}, pages = {163-174}, type = {Article}, abstract = {

Objective:\ Diabetes management remains challenging despite advancements in therapeutics, with many subjects developing complications. Yoga has been shown to aid diabetes management. This study investigates the impact of yoga therapy on diabetes progression, utilizing proteomics and metabolomics analyses to explore underlying molecular mechanisms.

Methodology:\ A 3-month longitudinal study involving healthy subjects with prediabetes and diabetes was conducted. Blood glucose, glycated hemoglobin (HbA1c), lipid profile, and malondialdehyde (MDA) levels were measured before and after the yoga intervention.

Results and conclusion:\ Healthy subjects showed no significant changes in blood glucose, lipid profile, HbA1c, or MDA levels. However, subjects with prediabetes and diabetes experienced positive changes, with decreases in HbA1c and MDA levels. Proteomics and metabolomics analyses provided insights into the molecular mechanisms by which yoga attenuates diabetes progression in subjects with prediabetes and diabetes. This study is a pioneering effort to understand the molecular basis of yoga{\textquoteright}s beneficial effects on diabetes management.

}, doi = {10.4103/ijoy.ijoy_178_24}, author = {Sonwane, Babasaheb P. and Raut, Pooja and Chitalkar, Jyotsna and Godbole, Smita and Sabnis, Shanta and Gupta, Jyoti and Santhakumari, B. and Deshpande, Mukund V. and Kulkarni, Mahesh J.} } @article {49647, title = {ZrO2 supported Cu nanoparticles for sonogashira and ullmann coupling reactions under palladium-free conditions}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {JUN}, pages = {3078-3090}, type = {Article}, abstract = {

Cu nanoparticles supported on ZrO2 (CuNPs@ZrO2) were synthesized using a one-step co-precipitation process, and their application in C-C coupling reactions was investigated. The catalyst was characterized using XRD, XPS, SEM, TEM, and TGA techniques. The prepared catalyst was used for the Sonogashira cross-coupling reactions of aryl bromides with phenyl-acetylene in the presence of K2CO3 in DMF at 110 degrees C, which resulted in substituted alkynes with good to excellent yields. The protocol was also extended for the Ullmann coupling reactions of aryl iodides under similar reaction conditions, yielding the desired products with good to excellent yields without homo-coupling. Interestingly, unlike other copper catalysts, the present catalyst worked under air and did not require an inert atmosphere to prevent alkyne. This catalytic system is versatile, tolerant, and significantly cheaper than the {\textquoteleft}{\textquoteleft}traditional{\textquoteright}{\textquoteright} Pd-catalyzed Sonogashira cross-coupling of terminal alkynes with aryl halides. The catalyst could be reused for five catalytic cycles with no significant change in the product yield. All of these characteristics make our prepared CuNPs@ZrO2 catalyst quite suitable for the gram-scale synthesis of biaryls and alkynes, with a simple workup.{GRAPHIACAL ABSTRACT

}, keywords = {CuNPs, Recyclability, Sonogashira coupling, Ullmann coupling, ZrO2}, issn = {1011-372X}, doi = {10.1007/s10562-023-04513-w}, author = {Patil, Seema P. and Rajmane, Archana S. and Jadhav, Sanjay N. and Rajmane, Vijaya S. and Rode, Chandrashekhar V. and Kumbhar, Arjun S.} } @article {49969, title = {Advanced zinc-polymer composites for marine corrosion protection and self-healing}, journal = {NPJ Materials Degradation}, volume = {9}, year = {2025}, month = {NOV }, pages = {150}, type = {Review}, abstract = {

Steel corrosion in saltwater costs over \$2.5 trillion annually. This review highlights advancements in zinc and polymer-based coatings for marine protection. It covers traditional methods and emerging technologies like nanoparticle-enhanced alloys, conducting polymers, metal organic frameworks (MOFs), and 2D materials. These offer improved resistance, self-healing, and intelligent protection with a future focus on sustainability and extended service life for marine infrastructure.

}, doi = {10.1038/s41529-025-00698-0}, author = {Sharma, Sanjay and Girish, Santhosh and Nayaka, G. P. and Shiva Samhitha, S. and Pilliadugula, Rekha and Shivamurthy, B. P. and Gurumurthy, S. C. and Ruiz-Robles, Mitchel A. and Rojas, D. and Surabhi, Srivathsava} } @article {49871, title = {Advances in metabolic engineering and fermentation for 3-hydroxypropionic acid biosynthesis: a comprehensive review}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {41}, year = {2025}, month = {SEP }, pages = {352}, type = {Review}, abstract = {

The grand challenge in biobased Manufacturing Lies in achieving the sustainable, economically competitive conversion of renewable biomass into high-value Chemicals capable of replacing fossil-derived products. Among these, 3-hydroxypropionic acid (3-HP) has emerged as a top-tier target-an exceptionally versatile platform molecule. It finds applications in the synthesis of acrylic acid, 1,3-propanediol, and other derivatives, positioning it as a potential cornerstone for bio-based plastics. This review consolidates the latest breakthroughs in microbial 3-HP production, encompassing advanced strain engineering, pathway rewiring, cofactor optimization, metabolic modeling, and flux balance analysis. We critically examine strategies to overcome inherent metabolic and physiological constraints, including byproduct suppression, redox balancing, and tolerance engineering. Emerging approaches-such as dynamic regulation of metabolic flux, control of cell morphology and density, and integration of co-production pathways-are highlighted for their capacity to boost yields and process robustness. Additionally, we address the fermentation process innovations targeting enhanced productivity, substrate efficiency, minimal nutrient input, and industrially relevant titres. Collectively, these insights Chart a clear path toward the scalable, sustainable biomanufacturer of 3-HP.

}, keywords = {1, 3-hydroxypropionaldehyde, 3-hydroxypropionic acid, 3-Propanediol, Fermentation, flux balance analysis, Metabolic engineering}, issn = {0959-3993}, doi = {10.1007/s11274-025-04554-w}, author = {Joshi, Harshvardhan and Isar, Jasmine and Rangaswamy, Vidhya and Raghunathan, Anu} } @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 {49858, title = {Aldol Condensation of Furfural with Acetone by Using Mg-Al-O-t-Bu HT Catalyst and Kinetic Studies}, journal = {Industrial \& Engineering Chemistry Research}, volume = {64}, year = {2025}, month = {DEC}, pages = {24938-24948}, type = {Article}, abstract = {

An environment-friendly method for producing jet fuel precursors involves the aldol condensation of biomass-derived chemicals. In this study, the condensation reaction between furfural and acetone was performed using a Mg-Al-O-t-Bu hydrotalcite (HT) catalyst, achieving a furfural conversion of 99\% and a selectivity of 82\% toward 4-(2-furyl)-3-buten-2-one (FAc). The kinetics of the process were evaluated using a Langmuir-Hinshelwood-Hougen-Watson (LHHW) model across a range of temperatures, and the model showed an excellent fit to the experimental data. The effect of different catalysts, reaction temperatures, catalyst loadings, molar ratios, and reaction times was systematically investigated. The Mg-Al-O-t-Bu HT catalyst was extensively analyzed through techniques such as XRD, XPS, FTIR, nitrogen adsorption-desorption measurements, and CO2-TPD. The catalyst exhibited excellent stability, maintaining its performance consistently across five successive reaction cycles with no notable decline in activity. These findings highlight the industrial relevance of Mg-Al-O-t-Bu HT as a robust and recyclable solid base catalyst for biomass upgrading, with strong potential for process scale-up in renewable fuel production.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5c03287}, author = {Patil, Sneha and Kamble, Paresh and Vinod, Chathakudath Prabhakaran and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @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 {49904, title = {Atomically dispersed Co-Cu dual active sites in carbon networks as an efficient oxygen electrocatalyst}, journal = {Dalton Transactions}, volume = {54}, year = {2025}, month = {OCT }, pages = {15500-15511}, type = {Article}, abstract = {

Single-atom metal-based electrocatalysts offer extended advantages by maximizing the utilization of active sites but often suffer from complex synthesis processes and low-density metal loading. The present work showcases a strategic design for integrating highly dense cobalt-copper dual atoms dispersed on a nitrogen-rich porous carbon network (CoCu-NGC). The atomically dispersed CoCu-NGC outperforms the ORR and OER activities of their single metallic counterparts (Co-NGC or Cu-NGC) and conventional noble-metal based electrocatalysts (Pt/C and RuO2). Benefitting from the electronic modulation in the dual SAC system, the CoCu-NGC displayed outstanding bifunctional performance with low Delta E values of 0.69 V in freshwater and 0.78 V in seawater, highlighting it as a potential alternative to the costly state-of-art electrocatalysts.

}, issn = {1477-9226}, doi = {10.1039/d5dt01807b}, author = {Sinha, Nibedita and Das, Chandni and Pal, Santanu and Urkude, Rajashri R. and Ahmed, Tanbir and Ghosh, Biplab and Roy, Poulomi} } @article {49578, title = {Br{\o}nsted basic TMMM-hydrotrope combined catalytic system for the synthesis of diverse dihydropyranochromenes in water at ambient temperature}, journal = {New Journal of Chemistry}, volume = {49}, year = {2025}, month = {MAY}, pages = {8131-8142}, type = {Article}, abstract = {

This work describes the synthesis of a range of bioactive chromenes using a solid Br \& oslash;nsted organic base called {\textquoteleft}tris(morpholinomethyl)mesitylene{\textquoteright} (TMMM). TMMM was obtained in high yields by treating tris(bromomethyl)mesitylene (TBMM) with morpholine in the presence of K2CO3 in acetonitrile at RT. It was characterized using 1H NMR and 13C NMR spectroscopy. We developed a Br \& oslash;nsted base hydrotrope combined catalytic system (BBHC) by combining TMMM and a hydrotrope (sodium p-toluene sulphonate: NaPTS) for the cascade-type Knoevenagel-Michael addition reactions of various aldehydes and malononitrile with kojic acid, 4-hydroxy coumarin, dimedone, and lawsone in water. The methodology offers diversity-oriented synthesis (DOS) of dihydropyranochromenes in high yields. The BBHC catalytic system showed at least four times recyclability without appreciable loss of its activity. TMMM is an odorless, solid organic base that can be easily handled and is resistant to air and moisture. As TMMM is a solid base, it can reduce evaporation losses, improve safety and allow its easy recovery and reuse. TMMM acts as a powerful Br \& oslash;nsted base that activates reactants, while an aqueous solution of NaPTS acts as a hydrotrope that increases the solubility of organic compounds in water.

}, issn = {1144-0546}, doi = {10.1039/d5nj00663e}, author = {Rajmane, Archana and Jadhav, Aishwarya and Patil, Nita and Kumbhar, Arjun} } @article {49890, title = {Chlorophobic iron hydrogen phosphite as OER-active electrocatalyst in anion exchange membrane (sea)water electrolysis}, journal = {Small}, volume = {21}, year = {2025}, month = {AUG}, pages = {2505781}, type = {Article}, abstract = {

Seawater electrolysis is recognized as a promising technology to cater to the worldwide drive for sustainable hydrogen production; however, its practical viability is often hindered by the inevitable anode corrosion arising from the electrode side reactions owing to the presence of high chloride content which eventually degrade the electrode performance eventually. Herein, the design of unprecedented ammonium iron hydrogen phosphite (FeHPhi) along with a trace amount of Cu, is reported as the unique and much desired electrode material for seawater electrolysis due to its special chloride repellant nature along with great electrocatalytic activity toward water oxidation. The [HPO3](2-) oxoanion as Lewis base in the structure effectively restricts chloride ions, while the Fe center acts as Lewis acid offering an active site for water oxidation, also well-supported theoretically. Leveraging this frustrated Lewis pair combination, the electrocatalyst achieves a high current density of 500 mA cm(-2) at 344 mV overpotential in alkaline real seawater with impressive robustness to sustain for 200 h when operated under chlorine evolution reaction dominating region (\>2 V). The electrocatalyst also demonstrates superior performance in anion exchange membrane freshwater and seawater electrolysis, demonstrating its potential applicability.

}, keywords = {AEM electrolyzer, chloride repellant, electrocatalyst, hydrogen production, seawater oxidation}, issn = {1613-6810}, doi = {10.1002/smll.202505781}, author = {Das, Chandni and Sinha, Nibedita and Nair, Aathira and Pal, Santanu and Joshi, Kavita and Roy, Poulomi} } @article {49934, title = {Concurrent utilization of e- and h+ for water splitting to H2 and biomass components into value-added products: sustainable solar-driven photocatalysis towards meeting SDG7, 12 and 13}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {OCT}, pages = {16738-16769}, type = {Review}, abstract = {

Photocatalytic water splitting is considered one of the efficient methods for producing green hydrogen. However, the sluggish oxygen evolution reaction (OER) kinetics with four electrons limits the overall efficiency of water splitting. Biomass components/biomass derivatives are renewable carbon feedstocks that are abundantly available in nature. It is prudent to make use of electrons and holes concurrently in photocatalysis for H2 production and oxidation of biomass components, respectively, due to the latter{\textquoteright}s occurrence at a lower potential (\<= 1 V) than that of the OER (\>1.23 V), to value-added products (VAPs); this approach makes the entire process energy-efficient and kinetically superior. This potential approach could effectively utilize the charge carriers and abundant renewable resources of water and biomass simultaneously, meeting the sustainability, energy conversion and economic goals together. Parallel utilization of the charge carriers for redox reactions also enhances the sustainability of the catalyst system employed. Interestingly, biomass component oxidation to VAPs occurs in several steps, which not only enhances hole utilization but also provides an opportunity to design better catalysts to enhance the selectivity of the target products. Carrying out such reactions under aerobic or anaerobic conditions and different pH conditions allows fine-tuning of the product selectivity. The current review provides a detailed overview of the recent developments in this emerging area with three different types of photocatalyst systems, namely, oxide-, chalcogenide-, and carbon-based materials. Among these, the oxide-based systems generally demonstrate the highest activity with sustainability, maintaining performance for several hours. While many of these systems exhibited high selectivity towards a single product, 100\% selectivity to lactic acid from glycerol was observed with a BiVO4-integrated TiO2 catalyst. Finally, the challenges, opportunities and future perspectives in this thriving field are listed, and they underscore the role of a carbon-neutral economy towards achieving a potentially sustainable future.

}, issn = {1359-7345}, doi = {10.1039/d5cc04056f}, author = {Rajendran, Sivaraj and Saju, Simi and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {50013, title = {Concurrent utilization of e- and h+ for water splitting to H2 and biomass components into value-added products: sustainable solar-driven photocatalysis towards meeting SDG7, 12 and 13}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {SEP}, pages = {16738-16769}, type = {Article}, abstract = {

Photocatalytic water splitting is considered one of the efficient methods for producing green hydrogen. However, the sluggish oxygen evolution reaction (OER) kinetics with four electrons limits the overall efficiency of water splitting. Biomass components/biomass derivatives are renewable carbon feedstocks that are abundantly available in nature. It is prudent to make use of electrons and holes concurrently in photocatalysis for H2\ production and oxidation of biomass components, respectively, due to the latter{\textquoteright}s occurrence at a lower potential (<=1 V) than that of the OER (\>1.23 V), to value-added products (VAPs); this approach makes the entire process energy-efficient and kinetically superior. This potential approach could effectively utilize the charge carriers and abundant renewable resources of water and biomass simultaneously, meeting the sustainability, energy conversion and economic goals together. Parallel utilization of the charge carriers for redox reactions also enhances the sustainability of the catalyst system employed. Interestingly, biomass component oxidation to VAPs occurs in several steps, which not only enhances hole utilization but also provides an opportunity to design better catalysts to enhance the selectivity of the target products. Carrying out such reactions under aerobic or anaerobic conditions and different pH conditions allows fine-tuning of the product selectivity. The current review provides a detailed overview of the recent developments in this emerging area with three different types of photocatalyst systems, namely, oxide-, chalcogenide-, and carbon-based materials. Among these, the oxide-based systems generally demonstrate the highest activity with sustainability, maintaining performance for several hours. While many of these systems exhibited high selectivity towards a single product, 100\% selectivity to lactic acid from glycerol was observed with a BiVO4-integrated TiO2\ catalyst. Finally, the challenges, opportunities and future perspectives in this thriving field are listed, and they underscore the role of a carbon-neutral economy towards achieving a potentially sustainable future.

}, doi = {DOI https://doi.org/10.1039/D5CC04056F}, author = {Rajendran, Sivaraj and Saju, Simi and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {49584, title = {DABCO dicationic ionic solid supported polymer (DDIS@PS) mediated synthesis of diverse 2-amino-4H-chromenes and xanthenes: a cascade Knoevenagel-Michael approach}, journal = {New Journal of Chemistry}, volume = {49}, year = {2025}, month = {FEB}, pages = {3644-3653}, type = {Article}, abstract = {

This work documented the synthesis of diverse bioactive polysubstituted 2-amino-4H-chromenes using a DABCO dicationic ionic solid (DDIS) supported on Merrifield resin (DDIS@PS) as a catalyst. The catalyst is characterized by FT-IR, SEM-EDX, and TGA analysis. The resulting PS contains supported DABCO units with free tertiary nitrogen functionality on their external surface. The catalyst effectively catalyzed cascade Knoevenagel-Michael addition reactions of various aldehydes and active methylene compounds (malononitrile and phenyl sulfonyl acetonitrile) with dimedone, yielding good to excellent results in water or ethanol at room temperature or 78 degrees C. The time required for the reaction of phenyl sulfonyl malononitrile is comparatively very high compared to malononitrile. The synthesis of bis-dimedone derivatives and 1,8-dioxo-octahydro-xanthenes was also achieved in both solvents at RT and 78 degrees C, with high yields. The catalyst demonstrated greater efficiency and maintained its activity over at least five cycles.

}, issn = {1144-0546}, doi = {10.1039/d4nj04366a}, author = {Rajmane, Archana and Patil, Nita and Patil, Anuradha and Kamble, Sumit and Kumbhar, Arjun} } @article {49587, title = {Deciphering the intricate mechanisms behind the selective oxidation of methane to C1 and C2 oxygenates over FeAu/γ-Al2O3 catalysts}, journal = {Chemical Engineering Journal}, volume = {512}, year = {2025}, month = {MAY}, pages = {162510}, type = {Article}, abstract = {

In this work, we demonstrate an eco-benign synthesis protocol for preparing gold nanoparticles and the role of the strong interaction between gold nanoparticles and iron oxide in FeAu/gamma-Al2O3 catalysts that render it an anionic (Au delta-) character while tailoring them in a smaller size. The multifunctional FeAu/gamma-Al2O3 catalyst selectively produces ethanol (95 \% selectivity, similar to 240 mu mol(-1) cat) at a mild temperature of 75 degrees C without the addition of co-reactants during liquid phase methane oxidation with molecular oxygen. Conversely, Au/gamma-Al2O3 and Fe/gamma-Al2O3 catalysts exhibited high selectivity for CH3OH and HCHO. A high dispersion accompanied by strong electronic interaction between the Au delta{\textendash}FeOx, as corroborated by diverse techniques, enables methane activation across the interface and coupling on the gold nanoparticles, which are responsible for the markedly improved formation of ethanol. Furthermore, in situ DRIFTS studies and DFT investigations point to a reaction mechanism of coupling of CH2OH and CH3 intermediates as the most likely route for ethanol formation.

}, keywords = {Anionic gold catalysts, Au-FeOx synergism, C-H bond activation, Ethanol, Methane oxidation, Methanol}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.162510}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Rengam, B. Sathya Sai and Ramakrishnan, Archana and Raja, Abhishekram and Urkude, Rajashri R. and Ghosh, Biplab and Varghese, Jithin John and Raja, Thirumalaiswamy} } @article {49484, title = {Design and synthesis of C-α-D-mannopyranoside linked mesoporous silica nanoparticles}, journal = {Journal of Chemical Sciences}, volume = {137}, year = {2025}, month = {MAR }, pages = {21}, type = {Article}, abstract = {

Mannose functionalized mesoporous silica nanoparticles (MSNs) offer a promising approach for developing more targeted, effective, and safer cancer therapies. For many of the applications, immobilization of carbohydrates like mannose onto MSNs is a crucial aspect, and in most cases, mannose moieties are connected through O-glycosidic linkages that are susceptible to acidic/enzymatic hydrolysis. To generate a stable mannose-functionalized MSN, we designed a novel C(14)-alpha-mannosylated tetradeca-1-yne. The key steps involved in the synthesis of C-mannosylated alkyne are C1-alkynylation of tri-O-acetyl-D-glucal with 1-trimethylsilyl-tetradec-1-yne, followed by stereoselective dihydroxylation and the isomerization of the internal triple bond to a terminal position. This mannose ligand was then immobilized onto azidopropyl-functionalized SBA-15 through the Cu(I)-catalyzed azide-alkyne click (CuAAC) reaction. Various physical techniques such as low-angle powder XRD, N-2 adsorption isotherms (BET), Fourier transform infrared (FTIR), high-resolution transmission electron microscopy (HRTEM), field emission scanning electron microscopy (FE-SEM), and thermogravimetric analysis (TGA) have been employed to characterize this C-mannosyl SBA-15 silica matrix. We evaluated the binding ability of C-mannosyl SBA-15 nanoparticles by using fluorescein-labelled Con-A as a target protein.

}, keywords = {C-mannoside, Click reaction, mannose specific proteins, Mesoporous silica nanoparticles, Zipper reaction}, issn = {0974-3626}, doi = {10.1007/s12039-024-02338-7}, author = {Nechooli, Hemanth K. and Ramtenki, Vilas and Kumar, Chepuri V. Suneel and Prasad, V. B. L. and Ramana, V. Chepuri} } @article {49716, title = {Development and assessment of implant material sustainability in synthesized AV fistula assisting device}, journal = {Materials Research Express}, volume = {12}, year = {2025}, month = {JUL }, pages = {075402}, type = {Article}, abstract = {

Arteriovenous fistula (AVF) failure remains a significant challenge in the treatment of end-stage renal disease, leading to increased morbidity and economic burden to the patients. The availability of effective devices to address AVF is still very limited globally. In view of the high failure rate of AVF during hemodialysis, development and selection of most appropriate material for AVF device is a test for the researcher. In the present research work, the mechanical and biocompatibility tests have been conducted on the implant grade silicon materials selected to develop the device before it is subjected to animal trials. The AVF assisting device is fabricated and a custom-designed in-vitro model is developed to replicate the human anatomical surroundings. The tensile strength and the elongation of the selected implant-grade silicon in the fabricated device are tested using a universal testing machine; also, the surface structure and the chemical composition are tested using scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) respectively. The hydrophilicity and long-term performance are analyzed using a water absorption test. The biocompatibility and cytotoxicity of the material and fabricated device are determined using cell viability assay. It is observed that the silicone material used in the AVF assisting device shows strong mechanical integrity, optimum structural stability, biocompatibility and is non-cytotoxic to mammalian cell line. Thus, it can be concluded that the implant-grade silicone material is a potential candidate for the design and development of AVF assisting device due to its observed sustainability and biocompatibility.

}, keywords = {arteriovenous fistula (AVF) failure, AV fistula assisting device, hemodialysis, material characterization}, doi = {10.1088/2053-1591/ade5f0}, author = {Raut, Abhijeet and Uddanwadikar, V. R. and Padole, P. M. and Ookalkar, D. and Kanekar, Jugal} } @article {49462, title = {Development of new N -{4-[(7-Chloro-5-methylpyrrolo[2,1-f ] [1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide analogues: exploring anticancer potential through MerTK inhibition}, journal = {Synlett}, volume = {36}, year = {2025}, month = {MAR}, pages = {522-530}, type = {Article}, abstract = {

Mer proto-oncogene tyrosine-protein kinase (MerTK), a part of the TAM (TYRO3, AXL, and MerTK) family, is directly correlated with metastasis and various types of cancers. The inhibition of this receptor is a promising strategy for more-effective chemotherapy. Considering the pharmacophoric features of the active domain of MerTK and the structural characteristics of the investigational drug BMS794833, we designed five new N -{4-[(7-chloro-5-methylpyrrolo[2,1- f ][1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide analogues. In cytotoxicity studies, one of the analogues displayed a significantly higher cytotoxicity than cisplatin. It showed IC50 values of 2.09, 1.96, and 3.08 mu M against A549, MCF-7, and MDA-MB-231 cancer cell lines, respectively. In drug metabolism and pharmacokinetic studies, it was the most stable analogue and displayed a moderate MerTK inhibitory potential. Molecular-docking studies were performed to corroborate the MerTK inhibition, and the same analogue achieved the most significant docking score (-12.33 kcal/mol). Docking interactions demonstrated that the imine and amine group of the 3-chloropyridine moiety of BMS794833 formed hydrogen bonds with the main chain of the ATP pocket residue Met674, while the oxygen atoms of the 4-oxo-1,4-dihydropyridine-3-carboxamide moiety established hydrogen bonds with the Lys619 and Asp741 amino acid residues of the allosteric pocket of MerTK protein. These promising results provide evidence that the N -{4-[(7-chloro-5-methylpyrrolo[2,1- f ][1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide pharmacophore can give potential insights into the development of new MerTK inhibitors.

}, keywords = {cancer chemotherapeutics, kinase inhibitors, metabolic studies, pyrrolotriazines, sulfonamides}, issn = {0936-5214}, doi = {10.1055/a-2360-6586}, author = {Sathe, Balaji Dashrath and Meenakshi, Meenakshi and Murti, Yogesh and Mane, Madhav Shivaji and Pandey, Sarvesh Kumar and Mahajan, Shriya and Rawat, Pramod and Kandhari, Harsimrat and Goel, Kapil Kumar and Dwivedi, Ashish Ranjan and Rathod, S. V.} } @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 {49799, title = {Diastereoselective synthesis of cyclic and spirocyclic quaternary carbons via iron-catalyzed ring contraction of cyclic ketones: a formal synthesis of perhydrohistrionicotoxin}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {AUG }, pages = {8798-8803}, type = {Article}, abstract = {

The iron-catalyzed hydrogen atom transfer (HAT)-initiated Dowd-Beckwith rearrangement presents a new approach for synthesizing cyclic and spirocyclic quaternary carbons from readily available beta-keto esters and cyclic diketones with high yields. This reaction proceeds in a stereocontrolled manner, enabling the formation of synthetically valuable cyclic ketones with two contiguous stereocenters, including quaternary centers. This transformation introduces an innovative bond disconnection strategy for ring-contraction reactions. Additionally, a short formal synthesis of perhydrohistrionicotoxin was efficiently achieved using this methodology.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c02888}, author = {Survase, Vijayanand U. and Rokade, Avinash D. and Handore, Kishor L.} } @article {49613, title = {Discovery and biological evaluation of nitrofuranyl-pyrazolopyrimidine hybrid conjugates as potent antimicrobial agents targeting Staphylococcus aureus and methicillin-resistant S. aureus}, journal = {RSC Medicinal Chemistry}, volume = {16}, year = {2025}, month = {MAR}, pages = {1304-1328}, type = {Article}, abstract = {

Nitrofuran and pyrazolopyrimidine-based compounds possess a broad antimicrobial spectrum including Gram-positive and Gram-negative bacteria. In the present work, a series of conjugates of these scaffolds was synthesized and evaluated for antimicrobial activity against Staphylococcus aureus and methicillin-resistant S. aureus (MRSA). Many compounds showed MIC values of \<= 2 mu g ml-1, with compound 35 demonstrating excellent activity (MICs: 0.7 and 0.15 mu g ml-1 against S. aureus and MRSA, respectively) and safety up to 50 mu g ml-1 in HepG2 cells. Compound 35 also exhibited no hemolytic activity, biofilm eradication, and effectiveness against efflux-pump-overexpressing strains (NorA, TetK, MsrA) without resistance development. It showed synergistic effects with vancomycin (S. aureus) and rifampicin (MRSA). Mechanistic studies revealed that compound 35 exhibits good membrane-targeting abilities, as evidenced by DAPI/PI staining and scanning electron microscopy (SEM). In an intracellular model, it reduced bacterial load efficiently in both S. aureus and MRSA strains. With a strong in vitro profile, compound 35 demonstrated favorable oral pharmacokinetics at 30 mg kg-1 and potent in vivo anti-MRSA activity, highlighting its potential against antibiotic-resistant infections.

}, doi = {10.1039/d4md00826j}, author = {Saini, Sapna and Reddy, G. Lakshma and Gangwar, Anjali and Kour, Harpreet and Nadre, Gajanan G. and Pandian, Ramajayan and Pal, Sunny and Nandi, Utpal and Sharma, Rashmi and Sawant, Sanghapal D.} } @article {49695, title = {Dopant and exfoliation induced simultaneous modification of charge density and C--C coupling sites for efficient CO2 photoreduction to ethylene}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {JUL}, pages = {e202423471}, type = {Article}, abstract = {

The photochemical conversion of CO2 into C2+ products has emerged as an attractive method for synthesizing valuable chemicals and fuels using abundant solar energy. However, the challenge lies in enhancing the efficiency and selectivity of C2+ product formation. In this study, we employed a heteroatom doping strategy to optimize the photocatalytic parameters and achieve excellent efficiency and selectivity in the photocatalytic CO2 reduction to C2+ product formation. Our experimental analysis revealed that the local electronic structure of the catalyst, modified by In-doping, enables enhanced efficiency. Additionally, the incorporation of Cu facilitates the coupling of C1 intermediates, resulting in excellent selectivity towards C2+ products. The CO2 reduction performance is further enhanced through exfoliation, which increases the exposure of active sites and extends the charge carrier lifetime by reducing the charge diffusion length. We report that the rate of formation of C2H4 reached 54.3 mu molh(-1)g(-1) with an outstanding selectivity of 91\% over the exfoliated CuIn-doped AgBiP2S6 catalyst. By elucidating the role of heteroatom doping and exfoliation in enhancing both the efficiency and selectivity of C2+ product formation, our study contributes to advancing the development of sustainable and efficient photocatalytic CO2 conversion technologies.

}, keywords = {C \& horbar, C coupling, CO2 reduction, Doping, Exfoliation, Photocatalysis}, doi = {10.1002/anie.202423471}, author = {Das, Kousik and Chakraborty, Subhajit and Kediya, Siddhi and Singh, Ashutosh Kumar and Das, Risov and Mondal, Soumi and Riyaz, Mohd and Goud, Devender and Dutta, Nilutpal and Vinod, Chathakudath P. and Peter, Sebastian C.} } @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 {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 {49528, title = {Electrochemical deconstruction of waste polyvinylidene chloride (PVDC) to value-added products in batch and flow}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

Chlorinated polymers have made enormous contributions to materials science and are commercially produced on a large scale. These chlorinated polymers could be recycled as chlorine sources to efficiently produce valuable chlorinated compounds owing to their facile release of HCl. Although the thermal stability of PVDC is low compared to PVC, this can be advantageous in terms of easy and fast dehydrochlorination. Herein, we report an efficient electrochemical chlorination using poly(vinylidene chloride) (PVDC) as a chlorine source that works in an undivided cell and applies to a good number of examples. This method works on commodity polymers such as waste PVDC-PVC pharma blister film, PVDC-PO multilayer food packaging, and compression molded sheets of Ixan PVDC (with heat stabilizer) with similar efficiency. Furthermore, this method also provides the dechlorination of PVDC up to 98 \%, leading to unsaturated dechlorinated material. Converting PVDC into more stable unsaturated compounds, the release of harmful chlorine-containing gases during incineration can be minimized. Additionally, this method is not only restricted to batch processes but an electroflow process for PVDC dechlorination and electrosynthesis has also been demonstrated.

}, keywords = {chlorination, Electrochemical recycling, Electroflow-synthesis, Graphitic material, Polyvinylidene chloride}, issn = {0947-6539}, doi = {10.1002/chem.202403980}, author = {Mishra, Subhadip and Kar, Sourav and Rangappa, Raghavendrakumar and Patil, Prashant and Kadam, Vijay and Chikkali, Samir H. and Samanta, Ramesh C.} } @article {49935, title = {Electronic, magnetic, and mechanical properties of co-doped GaSb: A promising diluted magnetic semiconductor}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {632}, year = {2025}, month = {NOV }, pages = {173499}, type = {Article}, abstract = {

{Understanding the interplay between magnetism and the electronic structure is crucial for the development of novel spintronic materials. This study employs density functional theory (DFT) calculations to investigate these properties in cubic Gallium Antimonide (GaSb) doped with Cobalt (Co) (Ga1-xCoxSb

}, keywords = {Density functional theory, Dilute magnetic semiconductors, Electronic properties, GaSb, mechanical properties, Spintronic materials}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2025.173499}, author = {Samant, Ramnath and Saraf, Deepashri and Adhikari, Rajendra P. and Shilkar, Omkar and Raikar, Sakshit and Silveira, Allan and Sawant, Manthan and Sappati, Subrahmanyam and Joshi, Niharika and Desai, Ashish M.} } @article {49885, title = {Energy-saving H2 production through H2S electrolysis accompanying solid sulfur recovery using a Ni3S2/Ni3N heterostructure as the electrocatalyst}, journal = {ACS Applied Energy Materials}, volume = {8}, year = {2025}, month = {SEP }, pages = {13631-13644}, type = {Article}, abstract = {

The thermodynamically feasible electrochemical sulfion oxidation reaction (SOR) is advantageous for degrading the toxic H2S pollutant into the value-added chemical sulfur but often suffers from catalyst passivation due to blockage of electroactive sites by accumulation of solid sulfur. The strategic design of electrocatalysts with enhanced electrochemical activity and improved sulfur tolerance is thereby crucial to fully harness the benefits of the SOR. In this work, we developed nickel sulfide nanorods decorated with nickel nitride nanoparticles directly grown on conductive nickel foam as an efficient trifunctional electrocatalyst for the SOR, oxygen evolution reaction (OER), and hydrogen evolution reaction (HER). Optimized Ni3S2/Ni3N showed lower electrode potentials of 0.25, 1.487, and 0.89 V to achieve a benchmark current density of 10 mA cm(-2) for the SOR, OER, and HER, respectively. The hybrid H2S electrolysis setup employing a Ni3S2/Ni3N electrocatalyst drastically reduced the cell potential by 1.24 V compared to that of conventional water electrolysis at a current density of 200 mA cm(-2). Having said that, heterostructure formation not only enhances the activity for the SOR but also helps to avoid sulfur poisoning, enabling the electrocatalyst to sustain for 100 long hours at a high current density of 100 mA cm(-2). Consequently, the approach with the developed electrocatalyst has the ability to reduce the energy consumption by 59.22\%, which can make rigorous, economically viable H-2 production driven by solar energy.

}, keywords = {energy-economic, H-2 production, H2S electrolysis, heterostructure, solidsulfur}, issn = {2574-0962}, doi = {10.1021/acsaem.5c01952}, author = {Sinha, Nibedita and Das, Chandni and Pal, Santanu and Roy, Poulomi} } @article {49710, title = {Enhanced electrocatalytic performances of NiCr layered double hydroxides by oxalate intercalation in anion exchange membrane water electrolysis}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JUN}, pages = {37863-37878}, type = {Article}, abstract = {

Layered double hydroxides (LDHs) have attracted much attention these days in the field of water electrolysis due to easy modulation in their layered structure and properties. Herein, NiCr-LDH has been developed, and its interlayer spacing has been considerably increased by oxalate intercalation. Such increased interlayer spacing allows easy access of hydroxides to a large number of electroactive sites and thereby boosts the electrocatalytic performances both for oxygen and hydrogen evolution reactions. Being very active toward both the electrocatalytic reactions, the oxalate-intercalated NiCr-LDH was further explored in an alkaline anion exchange membrane water electrolyzer (AEMWE), achieving 800 mA cm-2 at 1.88 V cell voltage at an operating temperature of 60 degrees C. In fact, the electrolyzer efficiency has been determined to be as high as 69.66\%, and the calculated H2 production cost was found to be \$0.97 per gasoline-gallon equivalent, which is well below the targeted cost by the Department of Energy, USA. The electrocatalyst was also examined in harsh alkaline media, like highly saline or seawater, which also indicated its ability to carry out sustainable seawater electrolysis, restricting chlorides to a great extent. Interestingly, post-electrolysis characterization reveals the fact that oxalate decomposition aided carbonate formation within interlayers of NiCr-LDH, and high affinity toward hydroxides is responsible for restricting chlorides during the electrolysis process, apart from the great electrocatalytic activity.

}, keywords = {Anion exchange, hydrogen production, interlayerspacing, Layered double hydroxide, Sustainable, water electrolyzer}, issn = {1944-8244}, doi = {10.1021/acsami.5c04189}, author = {Pal, Santanu and Sinha, Nibedita and Das, Chandni and Chauhan, Inderjeet and Ahmed, Tanbir and Roy, Poulomi} } @article {49520, title = {Enhanced Production and Techno-Economic Analysis of Sustainable Biofuel Production via Continuous Hydrogenation of Furfural Using the Cu-ZnO-Al2O3 Catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {13}, year = {2025}, month = {FEB}, pages = {3183-3199}, type = {Review}, abstract = {

2-Methylfuran is a perfect green solution on the pathway of finding alternative fuels. We report here for the first time the continuous production of 2-methylfuran (2-MF), a sustainable biofuel from biomass-derived furfural (FFA), over an industrial Cu-ZnO-Al2O3 (CZA) catalyst. The modified coprecipitation method provides a uniformly dispersed crystalline structure to the synthesized catalysts, along with intended copper (Cu) loading achievement. Different Cu loadings affect the catalytic behavior and activity. Hence, CZA catalysts with two Cu loadings of 9.8 and 4.7\% were studied in detail, denoted as C1 and C2, respectively. The catalysts were characterized via XRD, N-2 adsorption, H-2-TPR, NH3-TPD, XPS, ICP-MS, and TEM. Remarkably, the prepared catalysts demonstrate balanced acid sites with mesopores, a high surface area and pore volume, and better controlled nanoparticle size promoting catalytic activity. TEM and H-2-TPR studies reveal a better Cu dispersion. Existence of Cu2+ and Cu (+) even after reduction by XPS study proves the efficiency of the synthesized catalysts. Furthermore, TGA indicates the stability of CZA catalysts. To understand catalytic activity and selectivity, the investigation was carried out in a packed-bed fixed-bed stainless steel reactor. Better physiochemical properties result in high FFA conversion of 33.8\% and selectivity of 99.6\% for 2-MF. No side products were formed during reaction otherwise improbable via the continuous method. Compared with available literature, the CZA catalyst was found to exhibit superior catalytic performance. The reaction kinetics of furfural hydrogenation to 2-methylfuran was investigated, and it was found that the reaction order is high, and the activation energy was 61.2 kJ/mol. The rate constant k clearly obeyed the Arrhenius law from 180 to 220 degrees C. In addition, evaluation of reaction kinetics also indicated the absence of ring hydrogenation and decarbonylation products, which is difficult to achieve. Finally, the process shows significant economic viability, which resulted in the minimum levelized production cost for 2-methylfuran of 173,068.16 \$/ton with 78.32\% overall energy efficiency.

}, keywords = {2-methylfuran (2-MF), continuous production, Cu-ZnO-Al2O3, economic viability, furfural, green synthesis}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c08820}, author = {Saha, Biswajit and Racha, Arundhathi and Chaudhary, Puneet Kumar and Singh, Brijesh Kumar and Samanta, Chanchal and Newalkar, Bharat L.} } @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 {49570, title = {Exploring the structural and photophysical properties of tri-cation mixed halide double perovskites (Cs2AgIn0.85-XCeXBi0.15Cl6) for high-performance phosphor-based WLEDs}, journal = {Dalton Transactions}, volume = {54}, year = {2025}, month = {MAR}, pages = {5035-5049}, type = {Article}, abstract = {

Owing to their superior optoelectronic properties, lead-free halide double perovskites (HDPs) have been extensively studied for a wide range of optoelectronic applications, especially for fabricating white light-emitting diodes (WLEDs). Considering white light emission, the HDP structure{\textquoteright}s dual octahedral configuration facilitates greater lattice distortion, thereby fostering strong electron-phonon coupling-derived self-trapped exciton (STE) emission upon photoexcitation. Herein, we propose facile fabrication of a highly feasible phosphor-converted white light LED and an intensive analysis of the structural, compositional and photophysical properties of a tri-cation mixed halide double perovskite. We chose Cs2AgIn0.85Bi0.15Cl6 as a potential candidate for electroluminescent-based white light LED devices as its composition exhibits high stability, direct-allowed transition, and a notable photoluminescence quantum yield. However, we incorporated a lanthanide ion (Ce3+) into this cubic HDP structure via tri-cation mixing at the B {\textquoteleft}{\textquoteright} site (Cs2AgIn0.85-XCeXBi0.15Cl6) to internally disturb structural periodicity and further enhance STE emission. Initially, powder XRD revealed the lattice expansion induced by Ce3+ incorporation, while XPS and TEM verified the substitution of Ce3+ at the In3+ site. Meanwhile, compositional and optical studies established the role of Ce3+ in retaining the direct allowed transition by effectively replacing the In3+ site. Urbach energy (EU), a measure of energetic disorderness at band edges, was found to be significantly reduced, showing a value of 135 meV for the Ce-5\% sample. Most significantly, PL emission studies revealed an appreciable enhancement in the PL intensity with a prolonged STE lifetime of 670 ns for Cs2AgIn0.80Ce0.05Bi0.15Cl6, indicating improved radiative recombination. Besides, excitation-dependent Pl and PLE studies revealed that the emission solely came from the STE states. Elaboratively, vibrational studies elucidated that the Ce-5\% sample exhibited a restabilized elpasolite structure and enhanced lattice phonons, which ultimately helped in boosting STE emission, as proven by the Huang-Rhys factor (S = 13). Finally, an efficient and durable phosphor-converted WLED was fabricated, and its performance was assessed, revealing CIE coordinates of (0.35,0.32), a CCT of 4368 K, and an extremely high CRI (Ra) of 92. Thus, our work provides an exclusive strategy to enhance the STE emission for potential application in electroluminescent-based WLED devices.

}, issn = {1477-9226}, doi = {10.1039/d4dt03417a}, author = {Ravi, Nalini and Kanapathi, Prakash and Mohan, Subramaniam and Appadurai, Tamilselvan} } @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 {50006, title = {Genomic insights and biotechnological potential of {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} strain S13: a canthaxanthin pigment-producing bacterium}, journal = {Gene Reports}, volume = {40}, year = {2025}, month = {SEP}, pages = {102287}, type = {Article}, abstract = {

This study explores the discovery and characterization of pigments, from a microorganism thriving under environmentally challenging conditions. Utilizing a polyphasic taxonomic approach, we successfully isolated and identified a bacterial strain S13 within the\ Mesobacillus\ genus and Bacillaceae family, designated as {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} S13. We confirmed the species based on comprehensive phenotypic, physiological, and biochemical analyses, molecular phylogenetics, DNA{\textendash}DNA hybridization, average nucleotide identity, and whole-genome sequencing. The strain S13 (MTCC13141\ =\ VKM B-3583\ =\ NBIMCC 9084) possesses a 4.81 Mbp genome that encodes genes for pigment production. Notably, this study uses various spectroscopic methods to characterize canthaxanthin, an orange pigment and delineates its biosynthetic pathway from the genome of S13. The methylerythritol phosphate (MEP) pathway and canthaxanthin biosynthesis genes highlight the capacity of the bacterium to synthesize crucial isoprenoids and terpenoids, including canthaxanthin. This research provides a detailed account of the isolation, characterization, and taxonomic classification of {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} S13 and underscores the potential biotechnological applications of the bacterium in producing pharmaceuticals, biofuels, and cosmetics. Therefore, {\textquotedblleft}Mesobacillus aurantius{\textquotedblright} S13 is a potentially valuable microbial resource for the industrial production of isoprenoids and pigments.

}, doi = {https://doi.org/10.1016/j.genrep.2025.102287}, author = {Karthik, Shankar and Raman, Gurusamy and Srinivasan, Arumugam and Dastager, Syed Gulam and Wagh, Vasudev and Ayyadurai, Niraikulam} } @article {49616, title = {Germylene mediated reductive C-C and C-N coupling of an isocyanide and its device application}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB }, type = {Article}, abstract = {

We have demonstrated a unique reductive coupling of 4-iodophenyl isocyanide, facilitated by a perimidine-based N-heterocyclic germylene (NHGe), which yields a bis-spirogerma compound featuring simultaneous C-C and C-N bond formation. This reaction, which leads to the oxidation of germanium from +2 to +4, represents a significant departure from previously documented isocyanide-germylene interactions. The product exhibits extensive conjugation across its bicyclic C4Ge2N2 framework, conferring distinct photophysical properties, including prominent orange luminescence in both solution and solid states. The photophysical properties are supported by the TD-DFT calculations confirming an n -\>pi* transition. The potential application of this compound in optoelectronic devices, particularly as a hole transport layer in PbS quantum dot solar cells, is also explored, with promising preliminary results.

}, keywords = {Germylene, hole transport layer, Isocyanide, reductive coupling}, doi = {10.1002/anie.202417052}, author = {Gour, Kritika and Pramanik, Debjit and Dash, Soumya Ranjan and Shinde, Dipak Dattatray and Venugopal, Geethu and Vanka, Kumar and Rath, Arup K. and Sen, Sakya S.} } @article {49425, title = {Gram-scale synthesis of ({\textpm})-tylophorine}, journal = {Synlett}, volume = {36}, year = {2025}, month = {MAR}, pages = {536-540}, type = {Article}, abstract = {

We report a practical scalable synthesis of the natural product (+/-)-tylophorine by using an operationally simple protecting-group-free route from readily accessible starting materials. Synthesis of a cyclic N-acetyl diester compound through cyclization, followed by two key steps (decarboxylation and a Clemmensen reduction), provides access to the target molecule.

}, keywords = {alkaloids, Clemmensen reduction, decarboxylation, gram-scale synthesis, tylophorine}, issn = {0936-5214}, doi = {10.1055/a-2351-4828}, author = {Masal, Dattatraya P. and Reddy, D. Srinivasa} } @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 {49762, title = {Harnessing DABCO ionic salts for synthesis of heterocycles via multi-component reactions}, journal = {Chemical Papers}, volume = {79}, year = {2025}, month = {SEP}, pages = {5625-5660}, type = {Review}, abstract = {

The review article discusses the advancements in synthesis and applications of acidic, basic, and neutral 1,4-diazabicyclo[2.2.2]octane (DABCO) ionic salts in multi-component reactions. Compared to imidazolium-based ionic salts, the number of DABCO-based ionic salts is significantly lower. Recently, there has been increasing focus on these salts due to their selective salt formation capabilities. A significant challenge lies in the limited availability of physical data regarding DABCO-based ionic salts; hence, most of them are not ionic liquids. While many of these salts could be reused several times with only a minimal reduction in their catalytic effectiveness, there is a significant limitation in the availability of DABCO-based salts.

}, keywords = {1, 4-Diazabicyclo[2.2.2]octane, Ionic salts, Multi-component reactions, Recyclability}, issn = {0366-6352}, doi = {10.1007/s11696-025-04189-z}, author = {Rajmane, Archana and Narande, Poonam and Patil, Nita and Kumbhar, Arjun} } @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 {49965, title = {High performance and enhanced stability of Mn-Co3V2O8 coral-like structure for supercapacitor applications}, journal = {ACS Applied Energy Materials}, volume = {8}, year = {2025}, month = {JUN }, pages = {9419-9429}, type = {Article}, abstract = {

This study explores Mn-doped Co3V2O8 as a promising electrode material for high-performance supercapacitors. Mn doping significantly enhances the electrochemical properties of Co3V2O8, resulting in improved specific capacitance and cycling stability. Structural characterization reveals a coral-like morphology that increases the active sites and facilitates efficient charge transport and ion diffusion. Electrochemical tests show an impressive specific capacitance of 2352 F g(-1) in 2 M KOH at 1 A g(-1). For the assembled MCV5//AC asymmetric supercapacitor device, it has a high capacitance retention of 87.6\% and a high Coulombic efficiency of 96\% over 5000 cycles. The developed asymmetric MCV5/AC supercapacitor device achieved an energy density of 45 Wh kg(-1) and a power density of 750 W kg(-1). These findings establish Mn-doped Co3V2O8 as a durable and efficient electrode material, offering valuable insights into the relationship between the morphology and electrochemical performance. This work provides a foundation for the development of advanced materials for sustainable energy storage applications

}, keywords = {Co3V2O8, Electrode material, Energy storage, stability, supercapacitor}, issn = {2574-0962}, doi = {10.1021/acsaem.5c01055}, author = {Venkatesan, Sethuraman and Rajkumar, Palanisamy and Radhika, Govindaraju and Iyer, Maalavika S. and Manigandan, Ramadoss and Rajaiah, Dhilip Kumar and Radhakrishnan, S. and Raman, Sasikumar and Marimuthu, Senthilkumaran and Kim, Jinho} } @article {49929, title = {Highly efficient, co-solvent assisted glycolytic depolymerization of waste polyethylene terephthalate (PET) into Bis(2-hydroxyethyl) terephthalate (BHET) monomer}, journal = {Industrial \& Engineering Chemistry Research}, volume = {64}, year = {2025}, month = {AUG 2}, pages = {16428-16441}, type = {Article}, abstract = {

Recently, growing use of plastics has led to the accumulation of waste that must be dealt with paramount priority. Among all plastic wastes, polyethylene terephthalate (PET) is the most widely used thermoplastic polyester globally because of its extensive applications in packaging, automotive manufacturing, and textile markets. Thus, there is a need to develop a sustainable and viable PET recycling process. This study presents an efficient solvothermal process for the depolymerization of PET into bis(2-hydroxyethyl) terephthalate (BHET) using co-solvent assisted glycolysis. The process uses N-methylimidazole (NMI) as a cosolvent with ethylene glycol (EG), achieving complete PET conversion and 92\% BHET yield under optimized reaction conditions (180 degrees C, 45 min, PET:EG:NMI ratio of 1:7:8) without using a catalyst. The effectiveness of the cosolvent system was attributed to its polarity and H-bonding capabilities, which enhanced polymer swelling and facilitated the depolymerization. SEM analysis revealed pore formation in the NMI-treated PET, whereas FTIR studies confirmed the progressive formation of ester groups during depolymerization of PET. Kinetics studies based on different models indicated that, at higher temperatures, the surface reaction and homogeneous model proved to be rate-controlling due to the elimination of mass transfer limitations. A preliminary technoeconomic analysis and recyclability experiments further supported the scalability potential of the present study.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5c02060}, author = {Markandeya, Nishant and Solanki, Bhanupratap Singh and Ramalingam, Karthick and Kamble, Sanjay} } @article {49908, title = {Hydrodeoxygenation of guaiacol to cyclohexanol using noble metal-supported Ni-based perovskite-derived catalysts}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {AUG}, type = {Article}, abstract = {

This study focuses on the role of noble metal-doped Ni-based perovskites, specifically LaNiO3 and NiTiO3 catalysts in the hydrodeoxygenation (HDO) of guaiacol. The findings demonstrate that reduced Ru-LaNiO3 catalyst achieved superior performance with 100\% guaiacol conversion and a 75\% selectivity toward cyclohexanol, compared to reduced Ru-NiTiO3, which achieved only 43\% conversion and 25\% cyclohexanol selectivity under identical conditions (240 degrees C, 30 bar H2, and 4 h). High-resolution transmission electron microscopic (HR-TEM) analysis reveals that LaNiO3-supported catalysts exhibit better metal dispersion and smaller nickel nanoparticle sizes compared to NiTiO3-supported counterparts. X-ray photoelectron spectroscopy (XPS) analysis shows that the reduction of nickel and noble metals is more facile on LaNiO3. Additionally, the O 1s XPS profile for reduced Ru-LaNiO3 indicates a higher proportion of lattice oxygen (OLat similar to 79\%) and a lower proportion of oxygen vacancies (OVac similar to 21\%) compared to other catalyst systems. The optimized OLat/OVac ratio is shown to be critical for the effective HDO of guaiacol. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) demonstrates a high HDO reaction rate using reduced Ru-LaNiO3 than reduced Ru-NiTiO3, with cyclohexanol formation attributed to the keto-enol tautomerization pathway. Overall, this study underscores the critical roles of oxygen vacancies, metal dispersion, and metal-metal oxide interactions in the HDO of guaiacol.

}, keywords = {Cyclohexanol, Guaiacol, Hydrodeoxygenation, In-situ DRIFT, Ni-based perovskites}, issn = {1867-3880}, doi = {10.1002/cctc.202500577}, author = {Marimuthu, Prabu and Raja, Thirumalaiswamy and Vinu, Ravikrishnan} } @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 {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 {49952, title = {Insights into electrolyte-solvent interactions and SEI formation for sustainable sodium-ion battery operation at low temperatures}, journal = {Small Methods}, volume = {9}, year = {2025}, month = {SEP}, type = {Article}, abstract = {

Sodium-ion batteries (SIBs) show promise as an alternative to lithium-ion batteries. However, they face performance challenges at ultra-low temperatures (\<-40 degrees C) due to slow Na+ transfer kinetics with conventional electrolytes. This limitation restricts their use in extreme environments such as polar regions and outer space. The presented systematic study addresses this challenge by modulating and tailoring the electrolyte composition for SIBs, enabling ultra-low temperature operation down to -110 degrees C for the first time. The comprehensive molecular dynamic and density functional theory calculations combined with experimental Raman spectroscopy and nuclear magnetic resonance studies of advanced electrolytes provided a deeper mechanistic understanding of the solvation structures and their impact on electrochemical performance. By varying the solvent composition with a combination of tetrahydrofuran and 2-Methyltetrahydrofuran solvents and sodium hexafluorophosphate (NaPF6) salt, the freezing point, solubility, and Na+ solvation structure of the electrolyte is modulated and studied in detail. The extensive anion engagement in the optimized mix solvent electrolyte facilitated the formation of a stable and inorganic-rich solid electrolyte interphase layer, ensuring low overpotentials and uniform Na+ deposition, yielding superior cycling stability. As a result, the developed electrolyte enables SIBs to achieve reversible capacities of 88 mAh g(-1) at -60 degrees C and 50 mAh g(-1) at -100 degrees C. These insights may contribute to developing improved energy storage devices suitable for challenging environmental conditions.

}, keywords = {contact-ion pair, solid electrolyte interphase (SEI), solvation, ultra-low temperature, XPS-depth Profiling}, issn = {2366-9608}, doi = {10.1002/smtd.202402142}, author = {Kim, Soohwan and Mirzapure, Vinay and Atwi, Rasha and Koppisetti, Heramba V. S. R. M. and Wasnik, Kundan and Rajput, Nav Nidhi and Shelke, Manjusha and Pol, Vilas 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 {49913, title = {Interplay between genotoxic stress and STING activation in cellular senescence and inflammatory responses}, journal = {International Immunopharmacology}, volume = {164}, year = {2025}, month = {OCT}, pages = {115371}, type = {Article}, abstract = {

STING pathway is activated by endogenous or exogenous DNA damage and is known to trigger cell-intrinsic innate immunity. In this study, we demonstrated that the Peharmaline analog NDS101781 is a potent genotoxic molecule to trigger cellular senescence via innate immune-responsive STING activation. We found NDS101781 consistently modulated the expression of DDR markers including gamma-H2AX, Rad51, PARP1, ATM and MRE11 in breast cancer cells with concomitant amplification in the hallmarks of senescence along with STING signaling mediators which is intricately involved in NDS101781-mediated senescence activation as evidenced by significant reduction in the senescent population in si-TMEM173-transfected cells. In vitro findings proclaimed that STING activation by NDS101781 is crucial for p21-mediated senescence augmentation, a process regulated by ATM and p53 via a pathway independent of cGAS. Although STING is activated by both canonical and non-canonical manner, our mechanistic findings indicated that ATM played a crucial role in early activation of NDS101781 driven STING signaling via p53 activation and stimulation of pTBK1, NF-kappa B, and p-IRF3, through a non-canonical cascade in cGAS-independent mechanism. The results also indicated that interference of canonical and non-canonical STING activation, responsible for NF-kappa B stimulation leading to IL-6 generation. Intriguingly, the inhibition of ATM diminished senescence hallmarks; however, suppression of ATM as well as p21 neutralization triggered apoptotic cascade and thus regulating the SASP factors. However, transient knockdown of p21 moderately instigated the apoptotic mediators underscoring that NDS101781 mediated senescence induction delayed programmed cell death under intact p21 conditions. Moreover, pharmacokinetics of NDS101781 confirmed its excellent half-life in a preclinical model and in vivo studies confirmed that NDS101781 significantly inhibited tumor growth in a syngeneic aggressive 4T1-p53 breast cancer model.

}, keywords = {ATM, IL-6, Peharmaline, Senescence, STING}, issn = {1567-5769}, doi = {10.1016/j.intimp.2025.115371}, author = {Dash, Anshurekha and Kulkarni, Akshay S. and Irshad, Faisal and Masal, Dattatraya P. and Manhas, Diksha and Nandi, Utpal and Reddy, D. Srinivasa and Goswami, Anindya} } @article {49830, title = {Ipso-cyclization via a dienone-phenol rearrangement of alkynyloxy cyclohexadienones for the synthesis of oxaspiro[4.5]trienones}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {SEP}, pages = {13399-13406}, type = {Article}, abstract = {

Herein, we present a convenient method to access oxaspiro[4.5]trienone compounds from alkynyloxy cyclohexadienones. The reactions are catalyzed by Lewis/Bronsted acids, yielding the desired products in moderate to good yields under very mild reaction conditions. The process, which involves a dienone-phenol rearrangement, is characterized by its simplicity and the absence of any additional activators. The synthesis of the oxaspiro[4.5]trienone compounds is amenable to gram-scale reactions along with subsequent product transformations, making this approach practical and attractive.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c00893}, author = {Rai, Archana and Kundu, Ananya I. and Shukla, Ekta and Das, Utpal} } @article {49550, title = {Isobavachalcone ameliorates Alzheimer disease pathology by autophagy-mediated clearance of amyloid beta and inhibition of NLRP3 inflammasome in primary astrocytes and 5x-FAD mice}, journal = {Frontiers in Pharmacology}, volume = {16}, year = {2025}, month = {MAR}, pages = {1525364}, type = {Article}, abstract = {

Background and Aim Alzheimer{\textquoteright}s disease (AD) progresses with A beta plaque deposition and neuroinflammation. Given the complexity of AD pathology, single-target therapies have frequently failed in clinical trials. We hypothesized that a multitarget approach could yield better therapeutic outcomes. To this end, we identified isobavachalcone (IBC), a natural compound with dual pharmacological activity in reducing A beta plaques and neuroinflammation.Experimental Procedure Primary astrocytes were isolated from 3 to 4 days old C57BL/6J mice pups for in-vitro assays, while in-vivo studies were conducted on 5x-FAD mice. Protein alterations were evaluated using ELISA, western blotting, immunocytochemistry, and immunohistochemistry. Behavioral analyses included the radial arm maze, open field, and rotarod tests. Data from all in vitro and in vivo experiments were analyzed by using one-way ANOVA and post-hoc Bonferroni tests.Results In-vitro analyses in astrocytes demonstrated that IBC at 5 and 10 mu M concentrations induce AMPK phosphorylation through CAMKK2, promoting autophagy and inhibiting the NLRP3 inflammasome in primary astrocytes. IBC-treated astrocytes exhibited significant clearance of extracellular amyloid beta. Mechanistic studies highlighted autophagy as a key factor in reducing both NLRP3 inflammasome activity and A beta levels. Two months of treatment of 5x-FAD mice with IBC at 25 and 50 mg/kg significantly improved cognitive functions, as evidenced by enhanced memory and motor performance in behavioral tests. Subsequent brain tissue analysis revealed that IBC upregulated autophagic proteins to reduce the brain{\textquoteright}s amyloid beta levels, resulting in decreased expression of neuroinflammation markers.Conclusion IBC effectively ameliorates AD pathology through autophagy-mediated clearance of A beta and suppressing neuroinflammation in 5x-FAD mice.

}, keywords = {Alzheimer disease, Amyloid beta, Autophagy, isobavachalcone, neuroinflammation, NLRP3 inflammasome}, doi = {10.3389/fphar.2025.1525364}, author = {Kour, Dilpreet and Khajuria, Parul and Sharma, Kuhu and Sharma, Alpa and Sharma, Ankita and Ali, Syed Mudassir and Wazir, Priya and Ramajayan, P. and Sawant, Sanghapal D. and Nandi, Utpal and Ahmed, Zabeer and Kumar, Ajay} } @article {49418, title = {Kinetic investigation on palladium-catalyzed carbonylation of allyl alcohol}, journal = {International Journal of Chemical Kinetics}, volume = {57}, year = {2025}, month = {OCT}, pages = {153-163}, type = {Article}, abstract = {

Palladium-catalyzed carbonylation of allyl alcohol to 3-butenoic acid has been investigated. A significant effect of halide promoters, p-tolylsulfonic acid (TsOH), water, solvents, and PPh3 concentration activity and selectivity has been studied. Detailed kinetics of this reaction was investigated in a temperature range of 363-383 K. The influence of parameters such as stirring speed, allyl alcohol, catalyst, benzyltriethylammonium chloride (BTEAC), TsOH concentrations, and CO partial pressures on the activity and selectivity has been studied. An empirical rate equation was suggested and found to be fairly consistent with observed rate data. In addition, the activation energy and kinetic parameters were evaluated.

}, keywords = {allyl alcohol, Carbonylation, halide promoters, kinetics, Mechanism, Palladium}, issn = {0538-8066}, doi = {10.1002/kin.21767}, author = {Tonde, Sunil S. and Rajurkar, Kalpendra B. and Pagar, Nitin S.} } @article {50002, title = {Long-term genomic surveillance of SARS-CoV-2 in campus wastewater depicts lineage trends and public health implications during and after omicron waves}, journal = {Environment \& Health}, volume = {3}, year = {2025}, month = {JUN}, pages = {908{\textendash}919}, type = {Article}, abstract = {

SARS-CoV-2 transmission and detection on academic campuses in low- to middle-income countries has not been explored. The present study explored wastewater surveillance of SARS-CoV-2 in a campus setting in Pune, Maharashtra, India, offering insights into variant-specific trends and their correlation with clinical cases over a 2.5 year period from November 2021 to April 2024. We collected 242 wastewater samples from the campus sewershed and processed them to extract RNA and perform RT-qPCR and sequencing, followed by lineage assignment using the LCS tool. Early signals of different SARS-CoV-2 variants, such as BA.2.X, JN.1.X, and KP.2.X, were detected in wastewater prior to its first clinical report in Maharashtra, India. Wastewater viral load strongly correlated with clinical cases during the Omicron phase (ρ = 0.73{\textendash}0.81) compared to the post-Omicron phase (ρ = -0.06 to 0.31). This study also highlights that alerts and warnings issued on the basis of wastewater viral hikes have proven instrumental in preventing outbreaks of SARS-CoV-2 variants on campus. However, downgrading COVID-19 from pandemic status by the WHO resulted in a subsequent decrease in public vigilance, changing the viral dynamic in the last phase of the study. This study showcases the utility of wastewater surveillance in a campus setting as an early warning system and understands the interplay of public health policy effects in viral dynamics within controlled ecosystems, such as campuses or offices.

}, doi = {https://doi.org/10.1021/envhealth.5c00048}, author = {Pramanik, Rinka and Rajput, Vinay and Malik, Vinita and Nannaware, Kiran and Matra, Sejal and Joshi, Sai and Kumar, Shubham and Samson, Rachel and Yadav, Rakesh Kumar and Shah, Priyanki and Shashidhara, LS and Dastager, Syed and Karmodiya, Krishanpal and Dharne, Mahesh} } @article {49498, title = {Magnetically separable Br{\o}nsted acid catalyst for the synthesis of Bisguaiacol-F}, journal = {New Journal of Chemistry}, volume = {49}, year = {2025}, month = {FEB}, pages = {3273-3284}, type = {Article}, abstract = {

Currently, polycarbonates, epoxy resins, and plastics are commercially made from Bisphenol-A. However, BPA-containing materials are well known for causing major health problems and have been banned in several countries. To address this concern, Bisguaiacol-F (BGF) has been developed as a safer and more sustainable alternative to Bisphenol-A. We created a novel sulfonic acid-functionalized, magnetically separable heterogeneous Br \& oslash;nsted acid catalyst, [Fe3O4@SiO2-(Pr)3-N-Bu-SO3H][HSO4-], which was successfully utilized for the manufacture of BGF by condensing 37\% aq. formaldehyde with two molecules of guaiacol. The main objective for this reaction was to avoid using excess guaiacol while also completing the conversion of both starting components. Surprisingly, our manufactured catalyst promotes the complete conversion of aqueous formaldehyde and guaiacol into regioisomers such as pp {\textquoteleft}-BGF, mp {\textquoteleft}-BGF and op {\textquoteleft}-BGF with 62\%, 15\%, and 6\% selectivity, respectively. Our novel magnetically separable heterogeneous catalyst has improved catalytic activity in terms of starting material conversion and product distribution, which can be attributed to its unique structural characteristics. It contains a pendant -SO3H group that is connected to a lengthy butyl chain, making it conveniently accessible in the reaction. We have created the framework for a promising and environmentally aware approach to the synthesis of Bisguaiacol-F by meticulously optimizing reaction parameters such as time, temperature, reactant molar ratio, and catalyst loading. The catalyst was extensively characterized using acid-base titration, FT-IR, XRD, TGA, and NMR techniques to confirm the structure and reveal remarkable stability and activity. Notably, the catalyst demonstrated recyclability across six consecutive runs, with no noticeable reduction in its effectiveness. The catalytic activity was also tested for guaiacol condensation with a variety of aldehydes to create Bisguaiacol derivatives.

}, issn = {1144-0546}, doi = {10.1039/d4nj04624b}, author = {Tarade, Komal and Rode, Chandrashekhar and Kamble, Sanjay} } @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 {49534, title = {Metal deficiency tuned charge transfer in intermetallic Ni2-xSn (x =0.37-0.65) enhances selective conversion of furfural to furfuryl alcohol towards the theoretical limit}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {FEB}, pages = {6042-6048}, type = {Article}, abstract = {

Heterogeneous catalysis facilitated by intermetallic nanoparticles has recently been the subject of increased scrutiny, given the enhanced selectivity and stability they bestow on many chemical reactions compared to their monometallic components. This paper explores a series of Ni-Sn (Ni2-xSn, where x = 0.65, 0.5, 0.37) intermetallic compounds supported on a high-surface-area support, SBA-15, as catalysts for the selective hydrogenation of furfural to furfuryl alcohol. Rietveld refinements of the X-ray diffraction data show catalysts with mixed intermetallic phases that assist in the catalysis. At the same time, X-ray photoelectron spectroscopy (XPS) studies and X-ray absorption studies indicate the role played by charge transfer from Sn to Ni for the catalysis. Selectivity to the desired furfuryl alcohol in all the intermetallic samples was high (\>97\%), but Ni1.35Sn had a relatively lower conversion than the other intermetallic compounds.

}, issn = {2050-7488}, doi = {10.1039/d4ta06383j}, author = {Cherevotan, Arjun and Singh, Ashutosh Kumar and Yadav, Anish and Maligal-Ganesh, Raghu V. and Raj, Jithu and Pulparambil, Anu and Goud, Devender and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {49767, title = {Modulation of lithium ion transport and cycling stability using rigid and flexible urethane moieties on the backbone of polymers}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {NOV }, pages = {63784-63791}, type = {Article}, abstract = {

Graphite is the anode of choice for lithium-ion batteries. Due to volume change and poor conductivity of inorganic materials, they do not show comparable performance to that of graphite. Conjugated polymers are attractive because of their modularity and ease of synthesis. Herein, we report three polymers based on diketopyrrolopyrrole (DPP) as the anode. In an energy device, stored charges are due to a diffusive and capacitive component. Increasing the capacitive component is a challenge in both organic and inorganic systems. In our polymers, we installed urethane moieties that increase the capacitive component. The excellent Li+ ion transporting urethane moiety is part of the polymer chain. The Li+ ion transport is also impacted by the packing of the polymer chain. Therefore, the DPP units and urethane moieties are connected with either an alkyl chain, phenyl or biphenyl. The polymers with either alkyl or phenyl spacers showed stable cycling stability over 4000 charge-discharge cycles. On the other hand, the specific capacity of the batteries comprising a polymer with biphenyl started decreasing after 500 charge-discharge cycles. This is due to the solubility of the polymer in the battery electrolyte. The polymer with a phenyl spacer showed a higher Li+ ion diffusion coefficient due to the space generated between the polymer chains. The X-ray photoelectron spectroscopy analysis showed that the Li+ ions are bound to carbonyls, indicating the role of urethane in the charge transport. The polymer with an alkyl spacer showed a very high specific capacity of 600 mAh/g (1500th cycle) at a current density of 0.2 A/g, which is much higher than the theoretical capacity of graphite (372 mAh/g). The charge storage in all these polymers is dominated by a capacitive component, with the highest metric of 81\% shown by a polymer with an alkyl spacer.

}, keywords = {Cycling stability, diketopyrrolopyrrole, high capacity, lithium-ion battery, non-conjugatedpolymer, urethane}, issn = {1944-8244}, doi = {10.1021/acsami.5c15080}, author = {Kargude, Radhakisan and Rajendran, Prakash Babu and Kika, Sharmin Percy and Krishnamoorthy, Kothandam} } @article {49985, title = {Molecular determinants of Neu5Ac binding to a tripartite ATP independent periplasmic (TRAP) transporter}, journal = {Elife}, volume = {13}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

N\ -Acetylneuraminic acid (Neu5Ac) is a negatively charged nine-carbon amino sugar that is often the peripheral sugar in human cell-surface glycoconjugates. Some bacteria scavenge, import, and metabolize Neu5Ac or redeploy it on their cell surfaces for immune evasion. The import of Neu5Ac by many bacteria is mediated by tripartite ATP-independent periplasmic (TRAP) transporters. We have previously reported the structures of SiaQM, a membrane-embedded component of the\ Haemophilus influenzae\ TRAP transport system, (Currie et al., 2024). However, none of the published structures contain Neu5Ac bound to SiaQM. This information is critical for defining the transport mechanism and for further structure-activity relationship studies. Here, we report the structures of\ Fusobacterium nucleatum\ SiaQM with and without Neu5Ac. Both structures are in an inward (cytoplasmic side) facing conformation. The Neu5Ac-bound structure reveals the interactions of Neu5Ac with the transporter and its relationship with the Na+\ binding sites. Two of the Na+-binding sites are similar to those described previously. We identify a third metal-binding site that is further away and buried in the elevator domain. Ser300 and Ser345 interact with the C1-carboxylate group of Neu5Ac. Proteoliposome-based transport assays showed that Ser300-Neu5Ac interaction is critical for transport, whereas Ser345 is dispensable. Neu5Ac primarily interacts with residues in the elevator domain of the protein, thereby supporting the elevator with an operator mechanism. The residues interacting with Neu5Ac are conserved, providing fundamental information required to design inhibitors against this class of proteins.

}, doi = {10.7554/eLife.98158.}, author = {Goyal, Parveen and Dhanabalan, KanagaVijayan and Scalise, Mariafrancesca and Friemann, Rosmarie and Indiveri, Cesare and Dobson, Renwick C. J. and Vinothkumar, Kutti R. and Ramaswamy, Subramanian} } @article {49559, title = {Molecular modeling of non-canonical intramolecular RNA triple helix structures predicted from TRIPinRNA and their in vitro biophysical structure validation}, journal = {Journal of Physical Chemistry B}, volume = {129}, year = {2025}, month = {APR}, pages = {4298-4308}, type = {Article}, abstract = {

RNA triple helices have traditionally been characterized by pyrimidine-type UA-U or CG-C triplets, with other base triplets considered to be destabilizing. However, the presence of non-canonical triplets in riboswitches and self-splicing introns suggests that triplexes containing longer stretches of such triplets may exist in the human genome too. Using molecular modeling, we investigated a chimeric triple helix derived from the FLRT2-AS1 lncRNA, confirming its stability over a 500 ns simulation. Biophysical analyses further support the formation of this triplex in vitro. Although these non-canonical structures exhibit less thermal stability compared to traditional UA-U triplets found in lncRNAs like metastasis associated lung adenocarcinoma transcript 1 and NEAT1, they may serve distinct biological functions, suggesting a dynamic and more temporal role in cellular processes. The triplex selected for this study is found in a human long non-coding RNA gene, paving the way for investigating the intriguing roles of these triple helices in cell biology.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5c00160}, author = {Rakheja, Isha and Panda, Gayatri and Maiti, Souvik and Ray, Arjun} } @article {49621, title = {Multifunctional NiO/Ti3+-TiO2 for concurrent water reduction and glycerol oxidation to value added products by sunlight driven photocatalysis}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JAN}, pages = {2105-2120}, type = {Article}, abstract = {

The present work describes the synthesis of bifunctional-mesoporous-self-doped Ti3+ containing NiO/TiO2 photocatalysts for concurrent utilization of e- and h+ to produce H2 and value-added products (VAPs), respectively, from aqueous glycerol. UV-vis diffuse reflectance results and band gap analysis revealed an improved light absorption due to integration of Ni2+ with Ti3+/TiO2. Various electrochemical, PL and TRPL spectral analyses demonstrate p-n heterojunction formation between NiO and Ti3+-TiO2, which enhances charge separation and helps in achieving improved activity. HRTEM analysis of NiO/Ti3+-TiO2 nanocomposites revealed that NiO is highly dispersed on TiO2 with interfacial heterojunctions between them. XPS results demonstrate the partial reduction of Ti4+ to Ti3+ and Ni-Ti synergetic interaction in NiO/TiO2 to form NiO/Ti3+-TiO2 nanocomposites. EXAFS studies show that the Ni-O bond distance is similar to that of NiTiO3 suggesting electronic integration of components of the photocatalyst by forming a Ni2+-O-Ti3+/Ti4+ lattice network. Ni2+/Ti3+-TiO2 nanocomposites as a bifunctional photocatalyst exhibited significantly enhanced activity in H2 production and conversion of glycerol to VAPs, namely, glycolaldehyde, 1,3-dihydroxyacetone, and formic acid; formation of these products highlights not only oxidation, but also C-C cleavage of glycerol. The NiO/Ti3+-TiO2 photocatalysts fabricated in thin film form displayed higher photocatalytic efficiency than their powder counterpart. Among NiO/Ti3+-TiO2 nanocomposites NiT-3 exhibits the highest H2 yield at 15.62 mmol h-1 g-1, which is 38 times higher than that of bare TiO2. The enhanced photocatalytic activity is ascribed to the high charge carrier density, the synergistic interaction between Ni2+ and Ti3+-TiO2, formation of a p-n heterojunction at the interface between NiO and Ti3+-TiO2 and effective utilization of charge carriers for redox reactions.

}, issn = {2050-7488}, doi = {10.1039/d4ta06910b}, author = {Rajendran, Sivaraj and Saju, Simi and Mani, Sunesh S. and Asoka, Anantha Krishnan and Saha, Arindam and Arun, Pushkaran S. and Ghosh, Biplab and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {49446, title = {Multifunctional NiO/Ti3+{\textendash}TiO2 for concurrent water reduction and glycerol oxidation to value added products by sunlight driven photocatalysis}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JAN}, pages = {2105-2120}, type = {Article}, abstract = {

The present work describes the synthesis of bifunctional-mesoporous-self-doped Ti3+\ containing NiO/TiO2\ photocatalysts for concurrent utilization of e-\ and h+\ to produce H2\ and value-added products (VAPs), respectively, from aqueous glycerol. UV-vis diffuse reflectance results and band gap analysis revealed an improved light absorption due to integration of Ni2+\ with Ti3+/TiO2. Various electrochemical, PL and TRPL spectral analyses demonstrate p{\textendash}n heterojunction formation between NiO and Ti3+{\textendash}TiO2, which enhances charge separation and helps in achieving improved activity. HRTEM analysis of NiO/Ti3+{\textendash}TiO2\ nanocomposites revealed that NiO is highly dispersed on TiO2\ with interfacial heterojunctions between them. XPS results demonstrate the partial reduction of Ti4+\ to Ti3+\ and Ni{\textendash}Ti synergetic interaction in NiO/TiO2\ to form NiO/Ti3+{\textendash}TiO2\ nanocomposites. EXAFS studies show that the Ni{\textendash}O bond distance is similar to that of NiTiO3\ suggesting electronic integration of components of the photocatalyst by forming a Ni2+{\textendash}O{\textendash}Ti3+/Ti4+\ lattice network. Ni2+/Ti3+{\textendash}TiO2\ nanocomposites as a bifunctional photocatalyst exhibited significantly enhanced activity in H2\ production and conversion of glycerol to VAPs, namely, glycolaldehyde, 1,3-dihydroxyacetone, and formic acid; formation of these products highlights not only oxidation, but also C{\textendash}C cleavage of glycerol. The NiO/Ti3+{\textendash}TiO2\ photocatalysts fabricated in thin film form displayed higher photocatalytic efficiency than their powder counterpart. Among NiO/Ti3+{\textendash}TiO2\ nanocomposites NiT-3 exhibits the highest H2\ yield at 15.62 mmol h-1\ g-1, which is 38 times higher than that of bare TiO2. The enhanced photocatalytic activity is ascribed to the high charge carrier density, the synergistic interaction between Ni2+\ and Ti3+{\textendash}TiO2, formation of a p{\textendash}n heterojunction at the interface between NiO and Ti3+{\textendash}TiO2\ and effective utilization of charge carriers for redox reactions.

}, doi = {https://doi.org/10.1039/D4TA06910B}, author = {Rajendran, Sivaraj and Saju, Simi and Mani, Sunesh S. and Asoka, Anantha Krishnan and Saha, Arindam and Arun, Pushkaran S. and Ghosh, Biplab and Mathew, Thomas and Gopinath, Chinnakonda S.} } @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 {49598, title = {NiFeMo layered triple hydroxide and MXene heterostructure for boosted oxygen evolution reaction in anion exchange membrane water electrolysis}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {MAY}, pages = {12094-12107}, type = {Article}, abstract = {

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

}, issn = {2040-3364}, doi = {10.1039/d5nr00419e}, author = {Pal, Santanu and Chaturvedi, Ekta and Das, Chandni and Sinha, Nibedita and Ahmed, Tanbir and Roy, Poulomi} } @article {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 {49622, title = {Phosphite mediated molecular editing via switch to meta-C-H alkylation of isoquinolines: emergence of a distinct photochemical [1,3] N to C rearrangement}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {JAN}, pages = {1809-1818}, type = {Article}, abstract = {

The isoquinoline core is present in one of the largest subsets of bioactive natural products. The multifunctional isoquinoline core exerts diverse bioactivity, resulting in the development of numerous isoquinoline-based drugs and molecules that are currently under clinical trials. We developed a new approach for phosphite-mediated [1,2] alkyl migration for an overall ortho-C-H alkylation via N-alkylation of isoquinoline. Tuning the phosphite-mediated protocol to switch the site selectivity would expedite direct and diverse multi-C-H bond functionalization. We report a new approach starting with a simple N-alkylation of isoquinoline with sterically and electronically diverse alkyl bromides for their phosphite-mediated photochemical [1,3] N to C rearrangement followed by a rearomatization sequence that leads to meta-C-H (C4) alkylation. Combined experimental and computational studies unveiled the emergence of an unprecedented C-N bond cleavage pathway from the singlet excited state of the enamine-type intermediate. Our radical bond-cleavage pathway favors substituted alkyl group migration that complements the recently successful meta-alkylation methods with smaller and more reactive electrophiles. This switch in site selectivity via tuning the phosphite-mediated protocol resulted in sequential C-H difunctionalization of isoquinoline including regiodivergent ortho, meta-dialkylations of isoquinolines.

}, issn = {2041-6520}, doi = {10.1039/d4sc07127a}, author = {Rani, Soniya and Ray, Anuj Kumar and Dewangan, Devendra Kumar and Patil, Nita Aruna Ramchandra and Aarthika, M. and Paul, Ankan and Maity, Pradip} } @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 {49976, title = {Rapid biosynthesis of N-doped TiO2 nanoparticles using plant extract of Tamarix sp.: Its antimicrobial, anti-oxidant activity and dielectric properties}, journal = {Next Materials}, volume = {7}, year = {2025}, month = {APR}, pages = {100624}, type = {Article}, abstract = {

Green synthesis is a technique for the fabrication of\ nanoparticles\ (NPs) that is easy, eco-friendly, and emergent. It is currently garnering the attention of the scientific community worldwide since it is non-toxic, inexpensive, and reliable, and it takes place under ambient conditions. This research aimed to synthesize green N-doped\ titanium dioxide nanoparticles\ (N-TiO2) and analyze their antimicrobial, anti-oxidant activity, and\ dielectric properties. A leaf extract of\ Tamarix\ sp. was used in a single step at\ room temperature\ to fabricate N-TiO2nanoparticles\ with an average particle size of 26.5 nm. They were subsequently characterized by certain methods like Ultra Violet-Visible spectroscopy,\ Transmission Electron Microscopy,\ Field Emission Scanning Electron Microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Fourier Transform Infra-Red Spectroscopy, etc. Moreover, the efficiency of the synthesized\ nanoparticles\ as antimicrobial agents was investigated against\ Bacillus subtilis,\ Escherichia coli\ and\ Aspergillus niger. Using 2, 2-diphenyl-1-picrylhydrazyl hydrate (DPPH), the antioxidant activity of synthesized N-TiO2nanoparticles\ (NPs) was evaluated. UV{\textendash}visible\ spectrophotometry\ was used to monitor the radical-scavenging activity of N-TiO2\ NPs. The\ dielectric properties\ were examined with the help of impedence analyzer and we observed high\ dielectric constant\ and very low tangent loss.

}, doi = {https://doi.org/10.1016/j.nxmate.2025.100624}, author = {Naqvi, Syed Mohd Adnan and Islam,Sk Najrul and Raza, Azam and Kshirsagar, Deepa and Chavan, Padmaja and Chankeshwara, Vishakha and Firdousi, Shakeel Ahmad and Ahmad , Absar} } @article {49923, title = {Ready access to benzodiazocines from tryptamines: a druggable scaffold toward antiviral agents}, journal = {ACS Medicinal Chemistry Letters}, volume = {16}, year = {2025}, month = {DEC}, pages = {2362-2367}, type = {Article}, abstract = {

Herein we report the first synthesis of the proposed structure of a benzodiazocine natural product, peganutonin A. Considering the druggable nature of benzodiazocine and its limited exploration in the field of medicinal chemistry, we generalized the approach and created a library of compounds useful for various biological activities. Key steps in present approach include tryptamine cyclization facilitated by tert-butyl hypochlorite and cleavage of the fused indole ring using ozonolysis. Preliminary screening of the synthesized compounds resulted in potent antiviral compounds against the SARS-CoV-2 virus.

}, keywords = {Benzodiazocine, drug discovery, Indole cleavage, Lipinski{\textquoteright}s rule of Five, SARS-CoV-2 inhibition, Tryptamine}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5c00527}, author = {Saranya, N. Sathya Sai and Choudhury, Rahul and Routholla, Ganesh and Supekar, Prathmesh R. and R, Nandhakumaar and Martin, Alna Kuriyickal and Muruganandham, Renuga Devi and Kumar, Bokara Kiran and Reddy, D. Srinivasa} } @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 {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 {49785, title = {Residence time distribution of powders in a vertical single screw reactor: experiments using salt-coated tracer particles and simulations}, journal = {Particuology}, volume = {107}, year = {2025}, month = {DEC}, pages = {313-326}, type = {Article}, abstract = {

The use of single and twin-screw extruders for solid-phase reactions is a promising method to intensify a process in a more sustainable manner. In this manuscript, we report a detailed analysis of the residence time distribution (RTD) in vertical single-screw reactors. The results will help in the selection of the right screw design that would help achieve the desired residence time, which is necessary for a reaction to happen. Experiments were conducted in three vertical screw reactors (having fixed shaft diameter) with varying dimensions using granular free-flowing powders of sodium chloride and silica with a mean particle size of similar to 25 mu m. RTD behavior was modeled using the radial particle velocities in the screw reactor{\textquoteright}s centrifugal field. Further, a method is proposed for estimating the axial dispersion coefficient of dry powders in such sheared flows using true and bulk densities of the powder and the screw shear rate. This dispersion coefficient is used in the axially dispersed plug flow model to describe the RTD behavior of screw reactors with acceptable accuracy. The theoretically predicted and experimentally obtained dispersion coefficients are found to be similar thereby confirming the suitability of the model. (c) 2025 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.

}, keywords = {Bulk density, Centrifugal field in screw reactor, Particle inertial number, Powder dispersion coefficient, Powder flow, Single-screw extruder}, issn = {1674-2001}, doi = {10.1016/j.partic.2025.10.008}, author = {Rajendra, R. Sriram and Palgadhmal, Anil V. and Kulkarni, Amol A.} } @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 {49575, title = {SANS and SAXS investigation of the melt state structure in disentangled ultrahigh molecular weight polyethylene}, journal = {ACS Macro Letters}, volume = {14}, year = {2025}, month = {MAR}, pages = {349-353}, type = {Article}, abstract = {

Disentangled ultrahigh molecular weight polyethylene exhibits a time-dependent increase in rheology modulus when molten. This originates from its kinetically evolving heterogeneous microstructure consisting of disentangled and entangled regions. We report a quantitative analysis of this microstructure using X-rays and neutrons that capture the signatures of these regions. We analyze the absolute intensities to obtain the volume fraction and size distribution of the disentangled domains in the melt. Employing neutrons, we follow the changes in these parameters with time. The trends are qualitatively similar to those of the previous rheological observations. Our methodology also provides an experimental verification of the theoretical report by McLeish, T. C. B. Soft Matter 2007, 3 (1), 83-87, which predicts the presence of high density disentangled domains in a low density entangled matrix. The analysis presented here is a useful instrument for unveiling the origin of differences in the properties of polymers obtained through different processing routes.

}, doi = {10.1021/acsmacrolett.5c00100}, author = {Sharma, Aakash and Kruteva, Margarita and Willner, Lutz and Romano, Dario and Porcar, Lionel and Dulle, Martin and Zhou, Fuhai and Rastogi, Sanjay and Richter, Dieter} } @article {49723, title = {Scalable and sustainable reductive amidation of nitroarenes, nitroalkenes, and nitroalkyls with acyl saccharins in aqueous media}, journal = {Communications Chemistry}, volume = {8}, year = {2025}, month = {JUN}, pages = {184}, type = {Article}, abstract = {

Amide bond formation is essential in both organic and medicinal chemistry, however, most existing methods present poor ecological efficiency. Here, we report a scalable and sustainable method for synthesizing N-substituted amides from nitroarenes, nitroalkenes, nitroalkyls, and acyl saccharin in aqueous media. This atom-efficient approach avoids column chromatography, offers high yield, and is compatible with various functional groups. It is applicable to synthesize Dispyrin, a bromopyrrole alkaloid, amide-based drugs, and agrochemicals, including paracetamol, with solvent and saccharin recycling. A comprehensive Life Cycle Assessment (LCA; ISO 14044) was conducted to evaluate the environmental impacts and sustainability of nine Active Pharmaceutical Ingredients (APIs) produced via Amidation Route (AR) and Saccharin Amidation Route (SAR). The study shows SAR methods reduce carbon footprints and environmental impacts compared to AR methods, being carbon-negative and resource-efficient. Additional reductions can be achieved through saccharin recycling and the integration of renewable energy sources, demonstrating saccharin-based processes potential to minimize environmental burdens in pharmaceutical synthesis.

}, issn = {2399-3669}, doi = {10.1038/s42004-025-01464-8}, author = {Khamkar, Sunil L. and Mohan, Rayala and Santhosh, J. and Shinde, Harish M. and Handore, Kishor L. and Mohan, S. Venkata and Reddy, D. Srinivasa} } @article {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 {49961, title = {Sustainable isolation of cellulose nanofibers with superior crystallinity and thermal stability from Terminalia catappa L. fruit peel waste}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {JUL}, pages = {21557-21572}, type = {Article}, abstract = {

Turning agricultural waste into value-added products is a key focus of sustainable development. Herein, cellulose nanofibers (CNF) were extracted from the pericarp of Terminalia catappa L. for the first time. The CNF was extracted by chlorine-free pretreatment methods followed by oxalic acid hydrolysis (5 wt\%) assisted with steam explosion. The prepared CNF were characterized by Fourier transform infrared spectroscopy (FTIR), solid-state 13C nuclear magnetic resonance spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA and DTG). FTIR analysis confirmed the successful removal of lignin and hemicellulose during chemical treatment which was again validated by solid-state 13C NMR analysis. TEM image revealed that the diameter of the extracted nanofibers ranges from 14 to 18 nm. From XRD analysis, the crystallinity index of the CNF was 82\%, while that of the raw sample was 62 \%. The temperature at which the maximum degradation (Tmax) of CNF occurred was found to be 372 degrees C which is superior to that of the raw sample (334 degrees C). The extracted cellulose nanofibers were used to prepare cellulose paper, demonstrating a tensile strength of 1.1 MPa, indicating its potential suitability for biodegradable packaging applications.

}, keywords = {cellulose, Cellulose nanofiber, green synthesis, Waste to wealth}, issn = {2190-6815}, doi = {10.1007/s13399-025-06726-y}, author = {Harsha, R. and Mol, A. P. Princy and Paul, Sharon and Badawi, Michael and Ajithkumar, T. G. and Rao, H. Jeevan and Parameswaranpillai, Jyotishkumar and Nair, Ajalesh B. and Begum, P. M. Sabura and Dominic, C. D. Midhun} } @article {49719, title = {Sustainable UV absorbing bio-plastic films by valorisation of humins and chitosan}, journal = {International Journal of Biological Macromolecules}, volume = {311}, year = {2025}, month = {JUN}, pages = {143710}, type = {Article}, abstract = {

Humins, an inevitable bio-refinery waste by-product of sugar dehydration have been efficiently utilized for the first time for developing biodegradable thin films for UV shielding. The films were prepared from chitosan, and humins, a novel combination, aiming towards simultaneous utilization of marine and bio-refinery waste, rendering simple, effective, robust UV absorbing films. The structure-activity relationship of these films were elucidated with the help of different analytical techniques like X-ray diffraction, Fourier transform infrared spectroscopy, Thermogravimetric analysis, UV-vis spectroscopy, Atomic force microscopy, Scanning electron microscopy, Tensile testing, Contact angle measurements and water absorption studies. Intrinsic biodegradability was studied using fungi i.e. Aspergillus niger. Different feedstocks (corncob, rice husk, glucose and xylose) were explored for generating humins. Amongst them, humins derived from xylose were utilized for the preparation of the bio-plastic films of chitosan. The results revealed that, addition of 5.0 \% humins was observed to be an optimum concentration yielding films with excellent UV absorption, mechanical properties, and biodegradability. The current work is in perfect alignment with sustainability and green chemistry as it ameliorates waste valorization (lignocellulosic and marine altogether). Further, its innovation stems from the first-hand use of humins for UV absorption, novel combination of biopolymers, use of green raw materials.

}, keywords = {biodegradable, Chitosan, Humins, Thin films, UV absorption, Waste valorization}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.143710}, author = {Lucas, Nishita and Tambe, Snehal S. and Parate, Roopa and Hengne, Amol and Rode, C. V. and Athawale, Anjali A.} } @article {49809, title = {Sustained release polyurethane microcapsules by interfacial polycondensation using aromatic diols}, journal = {Reactive \& Functional Polymers}, volume = {216}, year = {2025}, month = {NOV}, pages = {106460}, type = {Article}, abstract = {

Polyurea-urethane (PUU) microcapsules prepared via interfacial polymerization have gained significant interest due to their tunable size and membrane thickness, high loading efficiency, and scalability. Although several aromatic and aliphatic diols and polyols have been used to produce PU foams and films, the use of aromatic diols to synthesize PUU MICs via interfacial polymerization is an unexplored domain due to the restricted solubility of aromatic diols in water. This report highlights the successful preparation of PUU microcapsules using an aromatic diol (benzene-1,4-dimethanol, BDM) to encapsulate dimethyl phthalate (DMP), a model insect repellent. The developed PUU microcapsules exhibited a high \% encapsulation efficiency of 92 \% and a size range of 1-20 mu m. Differential scanning calorimetry (DSC) thermograms revealed a significantly high glass transition temperature (Tg) of 143 degrees C as compared to 108 degrees C in the case of PUU MICs with aliphatic diols. Release studies confirm enhanced barrier properties for aromatic diol-based MICs as compared to aliphatic ethylene glycol-based PUU MICs, and interpretation of the release profile using the Weibull Model reveals that Fickian diffusion is the dominant mechanism in the release of DMP. These microcapsules can be used in high-performance applications such as composites, coatings, electronics, and construction.

}, keywords = {interfacial polymerization, Microencapsulation, polyurethane, sustained release}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2025.106460}, author = {Yadav, Prashant and Ravikumar, Aniruddha and Ambade, V. Ashootosh and Shanmuganathan, Kadhiravan} } @article {49917, title = {Synergistic effect of acidic-basic features of copper-doped layered double hydroxides nanocatalysts in valorization of biomass-derived furfural to biofuels}, journal = {ChemPlusChem}, volume = {90}, year = {2025}, month = {DEC}, pages = {e202500416}, type = {Article}, abstract = {

Valorization of biomass-derived chemicals into high-quality compounds and biofuels is enormously fundamental to diminish dependence on fossil-based resources. Furfural is a bio-based valuable compound which can be proficiently upgraded to 4-(2-furyl)-3-buten-2-one (FAc) and 1,4-pentadiene-3-one, 1,5-di-2-furanyl (F 2 Ac) via aldol condensation of furfural with acetone. In the present work, efficient Cu-doped Mg-Al layered double hydroxides (LDH) nanocatalysts are fabricated by coprecipitation and are exploited for furfural conversion to obtained FAc and F 2 Ac. The structure-activity relationship is scrutinized by characterizing fresh and spent nanocatalysts via numerous techniques. The good correlation between the amount of weak acidic-weak basic catalytic sites and nanocatalysts performance is established. The superior performance of Cu-0.1 nanocatalyst (Cu-content = 1.85 wt\%) in aldol condensation is attributed to the presence of optimum weak acidic sites (0.21 mmol g-1) and weak basic sites (0.36 mmol g-1), synergistic acidic-basic effect, nano-sized Cu(OH) 2 nanoparticles (1.6 nm), high BET surface area (181 m2 g-1), and mesoporous architecture of material. Cu-0.1 nanocatalyst delivered 98\% FAc selectivity with 100\% furfural conversion at 85 degrees C. Furthermore, at 100 degrees C, the nanocatalyst gives 55\% F 2 Ac selectivity with 73\% furfural conversion. The catalyst displays good recyclability (7 recycles) and stability. Plausible mechanistic pathway for transformation of furfural to FAc and F 2 Ac is proposed.

}, keywords = {Aldol condensation, biofuels, biomass valorization, nanocatalysis, synergistic effect}, issn = {2192-6506}, doi = {10.1002/cplu.202500416}, author = {Gode, Nilesh G. and Nagpure, Atul S. and Rewatkar, Suresh B. and Bhagat, Shailesh K. and Deshmukh, Ganpat D. and Saini, Ajay} } @article {49496, title = {Synergistic improvement of narrow bandgap PbS quantum dot solar cells through surface ligand engineering, near-infrared spectral matching, and enhanced electrode transparency}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {6614-6625}, type = {Article}, abstract = {

The tunability of the energy bandgap in the near-infrared (NIR) range uniquely positions colloidal lead sulfide (PbS) quantum dots (QDs) as a versatile material to enhance the performance of existing perovskite and silicon solar cells in tandem architectures. The desired narrow bandgap (NBG) PbS QDs exhibit polar (111) and nonpolar (100) terminal facets, making effective surface passivation through ligand engineering highly challenging. Despite recent breakthroughs in surface ligand engineering, NBG PbS QDs suffer from uncontrolled agglomeration in solid films, leading to increased energy disorder and trap formation. The limited NIR transparency of commonly used indium-doped tin oxide (ITO) electrodes and inadequate NIR radiation from commercially available solar simulators further compromise the true performance of NBG PbS QDs in solar cells. Here, we employ a hybrid ligand strategy based on inorganic cadmium halide and organic thiol molecules, leading to the partial substitution of surface Pb atoms with Cd heteroatoms. This hybrid ligand strategy substantially reduces undesired QD fusion in solid films, improving the photophysical and electronic properties. By modulating the thickness of the ITO layer and managing refraction loss through a ZnO layer coating, we improved NIR transparency to above 80\%. We combine an NIR light source with a solar simulator to achieve near-ideal spectral matching for a broader range with standard AM1.5G illumination. Enhancements in surface passivation of QDs, improvements in NIR transparency of electrodes, and a spectral matched light source setup help us achieve solar cell power conversion efficiencies of 12.4\%, 4.48\%, and 1.37\% under AM 1.5G, perovskite filter, and silicon filter illuminations, respectively. A record open-circuit voltage (V oc) of 0.54 V and short-circuit current density (J sc) of 38.5 mA/cm2 are achieved under AM 1.5G illumination. We attribute these advancements in photovoltaic parameters to the reduction in Urbach tail states and intermediate trap density originating from superior surface passivation of QDs.

}, keywords = {lead sulfide, ligand passivation, near-infrared, quantum dots, solar cell, tandem solarcell}, issn = {1944-8244}, doi = {10.1021/acsami.4c22334}, author = {Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Mitra, Anurag and Girade, Vrushali S. and Rath, Arup K.} } @article {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 {49625, title = {Synthesis, crystal structure and Hirshfeld analysis of a novel supra-molecular compound [Co(tsc)3]2[Co(cit)2](NO3)4{\textperiodcentered}4H2O}, journal = {Acta Crystallographica Section E-Crystallographic Communications}, volume = {81}, year = {2025}, month = {MAR}, pages = {248-251}, type = {Article}, abstract = {

A new cobalt complex, bis-[tris-(amino-thio-urea)cobalt(III)] bis-[2-(carb-oxy-methyl)-2-hy-droxy-butane-dioato]cobalt(II) tetra-nitrate tetra-hydrate, [Co(CH5N3S)3][Co(C6H6O7)2]0.5(NO3)2{\textperiodcentered}2H2O, designated as [Co(tsc)3]2[Co(cit)2](NO3)4{\textperiodcentered}4H2O, was synthesized. Two crystallographically independent cobalt centers are present. In the first, the central metal atom is chelated by three thio-semicarbazide ligands in a bidentate fashion whereas the second, positioned on a crystallographic inversion center, is hexa-coordinated by two citrate anions in a distorted octa-hedral geometry. Additionally, two water mol-ecules and two nitrate anions are present in the\ asymmetric unit.\ Hirshfeld surface analysis revealed that the presence of numerous donor and acceptor groups in the complex, which facilitate hydrogen-bonding inter-actions that contribute significantly to the overall cohesion of the crystal structure.

}, doi = {https://doi.org/10.1107/S2056989025001136}, author = {Nuralieva, Guzal and Umirzakova, Oydinoy and Torambetov, Batirbay and Rasulov, Abdusamat and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49990, title = {Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thia-zol-2-yl)sulfan-yl]-1,3,4-thia-diazole}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {569{\textendash}572}, type = {Article}, abstract = {

The title compound, C6H5N3S3, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group\ P21/c\ and features non-classical inter-molecular C{\textemdash}H...N hydrogen bonds, along with π{\textendash}π stacking inter-actions that contribute to the crystal cohesion. Hirshfeld surface analysis highlights significant inter-molecular inter-actions including, among others, N...H/H...N, S...H/H...S, and S...C/C...S contacts.

}, doi = {10.1107/S2056989025004980}, author = {Kinshakova, Ekaterina and Torambetov, Batirbay and Bharty, Manoj K. and Atashov, Aziz and Rasulov, Abdusamat and Kadirova, Shakhnoza and Gonnade, Rajesh G.} } @article {49982, title = {Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of cadmium nitrate with 2-amino-benzoxazole}, journal = {Acta Crystallographica Section E, Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {482-485}, type = {Article}, abstract = {

A coordination complex of cadmium nitrate [Cd(NO3)2] with 2-amino-benzaxole (2AB; C7H6N2O), namely, tetra-kis-(2-amino-benzoxazole-κN1)bis-(nitrato-κO)cadmium(II), [Cd(NO3)2(2AB)4], has been synthesized from ethanol solutions of Cd(NO3)2{\textperiodcentered}H2O and 2AB. The asymmetric unit comprises half a mol-ecule of [Cd(NO3)2(2AB)4], with the CdII\ atom positioned on a twofold rotation axis. In the completed mol-ecular complex, four 2AB ligands and two nitrate anions each coordinate monodentately to the CdII\ atom, leading to a distorted octa-hedral coordination environment. The crystal structure of [Cd(NO3)2(2AB)4] exhibits several N-H...O inter-actions, resulting in the formation of a layered assembly parallel to (001). Hishfeld surface analysis was used to qu-antify the inter-molecular inter-actions.

}, doi = {10.1107/S2056989025004049}, author = {Razzoqova, Surayyo and Ruzimov, Yodgor and Toshov, Akobir and Torambetov, Batirbay and Ibragimov, Aziz and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49989, title = {Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of silver nitrate with 2-amino-benzoxazole}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {81}, year = {2025}, month = {NOV}, pages = {1182-1185}, type = {Article}, abstract = {

The coordination complex of 2-amino-benzaxole (2AB) with silver(I), namely, bis(2-aminobenzoxazole-κN)silver(I) nitrate-bis(2-aminobenzoxazole (1/2), [Ag(C7H6N2O)2]NO3{\textperiodcentered}2C7H6N2O or [Ag(2AB)2]NO3{\textperiodcentered}(2AB)2, was synthesized from ethanol solutions of AgNO3\ and 2AB. The asymmetric unit contains one mol-ecule of [Ag(2AB)2]NO3{\textperiodcentered}(2AB)2, The central silver(I) atom is coordinated by two nitro-gen donor atoms from 2-amino-benzaxazole ligands in an N2\ coordination set while another two 2-amino-benzaxazole ligands and one nitrate anion remain uncoordinated. The crystal structure features several intra-molecular N-H...O and N-H...N hydrogen-bonding inter-actions as well as C-H...π, Ag...π and π-π inter-actions between adjacent AB ligands. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the inter-molecular inter-actions.

}, doi = {10.1107/S2056989025010254}, author = {Razzoqova, Surayyo and Sadullayeva, Sojida and Erkinov, Sirojiddin and Torambetov, Batirbay and Alieva, Guloy and Yakhshieva, Zukhra and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49981, title = {Synthesis, crystal structure and Hirshfeld surface analysis of bis-[2-amino-5-(ethyl-sulfan-yl)-1,3,4-thia-diazol-3-ium] bis-(perchlorato-κO)bis-(picolinato-κ2N,O)copper(II)}, journal = {Acta Crystallographica Section E, Crystallographic Communications}, volume = {81}, year = {2025}, month = {JUN}, pages = {613{\textendash}617}, type = {Article}, doi = {10.1107/S2056989025004992}, author = {Khojabaeva, Gulnaz and Torambetov, Batirbay and Gonnade, Rajesh G. and Uzakbergenova, Zamira and Rasulov, Abdusamat and Kadirova, Shakhnoza} } @article {49856, title = {Synthesis of 5-hydroxymethylfurfural from glucose using a tert-butoxyapatite catalyst}, journal = {DALTON TRANSACTIONS}, volume = {54}, year = {2025}, month = {SEP}, pages = {13574-13587}, type = {Article}, abstract = {

In this study, 5-hydroxymethylfurfural (5-HMF) was obtained from glucose using tert-butoxyapatite, a heterogeneous catalyst. The tert-butoxyapatite catalyst was prepared and characterized by several techniques, such as XRD, SEM, TEM, EDS, elemental mapping HR-TEM, N2-adsorption/desorption, XPS, and FT-IR. Several parameters were studied, such as temperature, catalyst loading, and glucose concentration. The tert-butoxyapatite catalyst having both acidic and basic sites gave a maximum glucose conversion of 87\% with a 48\% yield of HMF at 160 degrees C using 20 wt\% catalyst in 12 h. Reusability studies of the catalyst are also presented.

}, issn = {1477-9226}, doi = {10.1039/d5dt01450f}, author = {Kulkarni, Hemant S. and Kamble, Paresh A. and Vinod, Chathakudath P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {49696, title = {Synthesis of glycolic acid from glyoxal by using hydrotalcite catalyst and kinetic studies}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JUN}, type = {Article}, abstract = {

In this work, Mg-Al hydrotalcite catalysts with different molar ratios were prepared using the co-precipitation method for the synthesis of glycolic acid (GA) from glyoxal. Various reaction parameters such as catalyst molar ratio, time, temperature, catalyst loading, and catalyst poisoning were studied and optimized for better conversion of glyoxal selectively to glycolic acid. Hydrotalcite catalyst with a 2:1 molar ratio of Mg: Al gives 98\% conversion of glyoxal with 96\% selectivity of glycolic acid at 100 degrees C temperature, 40\% catalyst loading, and water as solvent in 8 h. Different characterization methods were used such as XRD, XPS, SEM-EDX, nitrogen adsorption desorption, and CO2-TPD for hydrotalcite catalyst. A kinetic study was also performed to observe the reaction order and activation energy required for the reaction.

}, keywords = {Glycolic acid, Glyoxal, hydrotalcite, kinetics}, issn = {1867-3880}, doi = {10.1002/cctc.202500321}, author = {Pandya, Harmitkumar N. and Kamble, Paresh A. and Vinod, Chathakudath P. and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @article {49854, title = {Synthesis of Readily Modifiable Amides from Aldehydes via an Organocatalytic Approach Using a CTAB Surfactant}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {AUG }, pages = {11288-11300}, type = {Article}, abstract = {

A simple and efficient organocatalytic method has been developed to access {\textquoteleft}{\textquoteleft}readily modifiable{\textquoteright}{\textquoteright} amides, including bench-stable N-acyl saccharin and various activated amides, from aldehydes by using CTAB- t BuOOH. A wide range of aromatic and aliphatic acyl saccharin are obtained from their respective aldehydes with moderate to good yields. The approach can be similarly applied toward the formation of N-acyl imidazole, N-acyl benzimidazole, N-methoxy-N-methylamide (Weinreb amide), N-ethyl-N-phenylbenzamide, N-acyl morpholine, N-acyl valerolactam, and N-acyl caprolactam. These compounds are frequently applied as reagents in organic transformations, including acyl coupling, decarbonylative coupling, radical coupling, and coupling that is free from transition metals, enabling the synthesis of new C-C, C-N, C-O, C-S, C-P, and C-B bonds.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c01290}, author = {Akhade, Akshay M. and Rokade, Avinash D. and Handore, Kishor L.} } @article {49829, title = {Total synthesis of isatisindigoticanine H}, journal = {Synthesis-Stuttgart}, volume = {57}, year = {2025}, month = {SEP}, pages = {2677-2682}, type = {Article}, abstract = {

The first total synthesis of the naturally occurring isatisindigoticanine H has been completed by employing D-mannitol as the chiral pool precursor to install the requisite stereochemistry of the natural product. Construction of the thiazole unit by dehydrative cyclization of a alpha-halo ketone with thiourea followed by Sandmeyer{\textquoteright}s reaction and subsequent nucleophilic addition of lithiated bromothiazole to the Weinreb amide are the key reactions employed in this regard.

}, keywords = {Chiral pool approach, Indothiazinone, Isatisindigoticanine H, Sandmeyer reaction, Total synthesis}, issn = {0039-7881}, doi = {10.1055/a-2618-0514}, author = {Wabale, Krishna R. and Ramana, Chepuri Venkata} } @article {49680, title = {Total synthesis of ({\textpm})-streptoglyceride A and of putative ({\textpm})-streptoglyceride C}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {JUN}, pages = {5931-5935}, type = {Article}, abstract = {

The first total synthesis of (+/-)-Streptoglyceride A-one of the early members of this family to be isolated-has been accomplished, along with the synthesis of the putative structure of (+/-)-Streptoglyceride C. The unique tricyclic ring present in these natural products has been constructed by employing a gold-catalyzed tandem diynol cycloisomerization followed by one-pot dihydroxylation/trans-glycosylation. The pendant diene unit was fabricated by Takai olefination and subsequent Stille coupling.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00879}, author = {Khobragade, Virendra R. and Ramana, Chepuri V.} } @article {49892, title = {Towards efficient conversion of sucrose to 1,2-propanediol selectively over Cu-La on activated carbon support}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {NOV}, pages = {29241-29257}, type = {Article}, abstract = {

In this study, we investigated the conversion of sucrose to 1,2-propanediol (1,2-PDO) using various Cu-La metals supported on activated carbon (AC), a versatile support known for its hydrophobicity and high surface area. Among the catalysts tested, 6\% Cu-20\% La/AC demonstrated the highest activity, achieving a 72\% yield of 1,2-PDO under optimal reaction conditions of 200 degrees C, 40 bar H2, and 6-h reaction time. Comparative studies using cellulose, sucrose, glucose, and fructose as substrates identified sucrose as the most favorable feedstock for 1,2-PDO production. Detailed catalyst characterization (XRD, TEM, FE-SEM, TPR, TPD, XPS) revealed that the high dispersion, presence of metallic copper, and synergy between Cu and La, along with the presence of optimal acidic and basic sites, were responsible for the catalyst{\textquoteright}s high selectivity of 1,2-PDO. Additionally, the effect of different supports, including HY, NaY, HZSM-5, NaZSM-5, gamma-Al2O3, and AC, on sucrose conversion was examined, with AC showing superior performance. The catalyst{\textquoteright}s reusability was also assessed.Graphical abstractInvestigation of Cu-La metals supported on activated carbon for the catalytic conversion of sucrose to 1,2-propanediol, with an emphasis on choice of support, feedstock selection, catalyst performance, and stability under optimized reaction conditions.

}, keywords = {1, 2-Propanediol, Biomass conversion, Biomass-to-chemicals, Hydrogenation}, issn = {2190-6815}, doi = {10.1007/s13399-025-06641-2}, author = {Anilan, Anusree Elavanaparambil and Sreekantan, Sreejith and Racha, Arundhathi and Marimuthu, Banu} } @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 {49451, title = {Ultrabroad near infrared emitting perovskites}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {JAN}, type = {Article}, abstract = {

Phosphor converted light emitting diodes (pc-LEDs) have revolutionized solid-state white lighting by replacing energy-inefficient filament-based incandescent lamps. However, such a pc-LED emitting ultrabroad near-infrared (NIR) radiations still remains a challenge, primarily because of the lack of ultrabroad NIR emitting phosphors. To address this issue, we have prepared 2.5 \% W4+-doped and 2.8 \% Mo4+-doped Cs2Na0.95Ag0.05BiCl6\ perovskites emitting ultrabroad NIR radiation with unprecedented spectral widths of 434 and 468 nm, respectively. Upon band-edge excitation, the soft lattice of the host exhibits broad self-trapped exciton (STE) emission covering NIR-I (700 nm), which then nonradiatively excites the dopants. The\ mathematical equation\ {\textendash}donor ligand Cl-\ reduces the energy of dopant\ d{\textendash}d\ transitions emitting NIR-II with a peak at ~950 nm. Vibronic coupling broadens the dopant emission. The large spin-orbit coupling and local structural distortion might possibly enhance the dopant emission intensity, leading to an overall NIR photoluminescence quantum yield ~40 \%. The composite of our ultrabroad NIR phosphors with biodegradable polymer polylactic acid could be processed into free-standing films and 3D printed structures. Large (170mathematical equation\ 170 mathematical equation\ ), robust, and thermally stable 3D printed pc-LED panels emit ultrabroad NIR radiation, demonstrating NIR imaging applications.

}, doi = {https://doi.org/10.1002/anie.202415003}, author = {Saikia, Sajid and Gopal, Animesh and Rathod, Radha and Joshi, Aprajita and Priolkar, K. R. and Saha, Surajit and Santra, Pralay K. and Shanmuganathan, Kadhiravan and Nag, Angshuman} } @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 {49722, title = {Unravelling chain confinement and dynamics of weakly entangled polymers in one component nanocomposites}, journal = {Soft Matter}, volume = {21}, year = {2025}, month = {JUN }, pages = {4378-4392}, type = {Article}, abstract = {

Structure and dynamics of polymer chains grafted to a nanoparticle (NP) surface in one component nanocomposites (OCNC) are investigated by small angle scattering (SAXS, SANS) and neutron spin echo (NSE). The OCNC were realized by self-assembly of block-copolymers and subsequent cross-linking of the core. The sizes of the resulting NPs were narrowly distributed. Owing to equal core and shell volumes the melt structure is that of a concentrated colloidal dispersion of cores. The melt structure could be reasonably well described by a Percus-Yevick structure factor. In order to access more deeply the dynamics, three differently labeled materials with labels at the inner- or outer part and the whole graft were studied. The experimental data were evaluated in terms of models allowing for site dependent friction. For this purpose, the Langevin equation containing a friction profile was solved and the dynamic structure factor in terms of its eigenvalues and eigenvectors was compared to the data. The evaluation shows increased friction towards the grafting points. In addition, topological restrictions of motion due to the dense arrangements of micellar cores and the presence of neighboring chains were considered and compared with those of a corresponding melt. Assuming homogenous relaxation of all grafts did not yield a satisfactory data description, but rather at least two differently relaxing chain ensembles had to be considered.

}, issn = {1744-683X}, doi = {10.1039/d4sm01505c}, author = {Kruteva, M. and Monkenbusch, M. and Sharma, A. and Allgaier, J. and Hoffmann, I. and Rosi, B. and Dulle, M. and Porcar, L. and Matsarskaia, O. and Richter, D.} } @article {49712, title = {Vastly increased mesophase range due to superstructure formation from in situ prepared gold nanoparticles with liquid crystalline ligands: toward enhanced optoelectronic applications}, journal = {ACS Applied Nano Materials}, volume = {8}, year = {2025}, month = {MAY }, pages = {10340-10350}, type = {Article}, abstract = {

Gold nanoparticle (Au NP)-liquid crystal (LC) composites have gained considerable interest in developing cutting-edge electro-optical materials. This study introduces an innovative synthetic approach that significantly augments the capabilities of Au NP-LC composites by utilizing an amine-functionalized LC as both a reducing and capping agent in the refined Brust-Schiffrin method. In its standard form, this method yields Au NP-LC composites with appealing features like improved clearing temperature. However, the optical characteristics do not display any additional features and resemble simple LC-ligand functionalized Au NP, attributed here to the surplus LC employed to obtain the dual capabilities of reduction and capping. Thus, it was gratifying to observe a dramatic enhancement in mesophase stability with the removal of just a few percentages of excess LC, which is attributed to a remarkable and unprecedented one-dimensional superstructure formation. Furthermore, the removal of surplus LC caused the composite to exhibit Fano-like resonance in the UV-vis spectrum, a noteworthy optical feature likely resulting from dynamic plasmonic interactions, including plasmon-polariton interactions and lattice plasmon modes. Thus, the simple yet robust protocol employed yields Au NP-LC composites with an ultrawide thermal range of the mesophase that paves the way for realizing next-generation electro-optic materials featuring enhanced performance and response.

}, keywords = {Fano-resonance, gold nanoparticles, liquid crystals, nanosoftcomposites, superstructure}, doi = {10.1021/acsanm.5c00923}, author = {Duggal, Muskan and Khatavi, Santosh and Yelamaggad, Channabasaveshwar V. and Shankar Rao, Doddamane Sreenivasamurthy and Krishna Prasad, Subbarao and Prasad, Bhagavatula L. V.} } @article {49855, title = {W/HAP catalyzed terpenic alcohols oxidation: kinetic studies}, journal = {Reaction Chemistry \& Engineering}, volume = {10}, year = {2025}, month = {OCT }, pages = {2696-2710}, type = {Article}, abstract = {

The selective oxidation of natural alcohols into carbonyl derivatives is a pivotal transformation in synthetic organic chemistry and industrial applications. This study focuses on the oxidation of borneol, a bicyclic secondary terpenic alcohol, into camphor using a tungsten-exchanged hydroxyapatite (W/HAP) catalyst and hydrogen peroxide as a green oxidant. Hydroxyapatite was synthesized via co-precipitation and functionalized with sodium tungstate to create the W/HAP catalyst, which was characterized using techniques such as SEM, EDS, TPD, XPS, and N2 adsorption-desorption to evaluate its surface morphology, porosity, and chemical composition. Oxidation reactions were conducted under optimized conditions, employing dimethylacetamide (DMA) as a solvent to achieve maximum conversion and selectivity. The W/HAP catalyst demonstrated superior performance, achieving nearly 99\% conversion of borneol with 100\% selectivity for camphor. Reaction parameters, including temperature, reactant stoichiometry, solvent choice, and catalyst loading, were systematically investigated. Higher reaction temperatures and oxidant concentrations favoured rapid conversion while maintaining high selectivity. Solvent effects revealed that DMA stabilized peroxo-tungstate intermediates, enhancing reaction efficiency compared to other solvents. Kinetic studies confirmed a first-order reaction mechanism with respect to borneol, and the activation energy was determined to be 44.23 kJ mol-1, highlighting the catalytic efficiency of W/HAP. Reusability tests confirmed the stability of the W/HAP catalyst over multiple cycles with minimal tungsten leaching. The methodology was extended to other terpenic alcohols, with varying degrees of success, emphasizing the substrate-specific activity of the catalyst. This work underscores the potential of tungsten-based heterogeneous catalysts in sustainable alcohol oxidation and highlights the industrial relevance of camphor synthesis as a renewable and eco-friendly approach to produce fine chemicals, fragrances, and pharmaceuticals.

}, issn = {2058-9883}, doi = {10.1039/d5re00132c}, author = {Poman, Aishwarya and Kamble, Paresh and Vinod, Chathakudath P. and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @article {49906, title = {WS2 nanoparticle-decorated, vertically aligned SnS2-based high-performance heterostructures for ambient-stable ultrafast photodetection}, journal = {ACS Applied Nano Materials}, volume = {8}, year = {2025}, month = {OCT }, pages = {21047-21056}, type = {Article}, abstract = {

The development of visible-light photodetectors with high responsivity, rapid response, and long-term ambient stability remains a critical challenge in optoelectronics. Here, we report a high-performance photodetector based on a vertically aligned SnS2 film interfaced with WS2 nanoparticles, forming a p-n heterojunction. This device is fabricated using a scalable two-step method-chemical vapor deposition (CVD) for SnS2 growth and solution-based drop-casting for WS2 deposition-enabling precise control over the heterointerface, but trap states are inevitable due to the use of thermal CVD and the drop-casting method. The resulting photodetector exhibits remarkable optoelectronic characteristics, including a responsivity of 0.76 A/W, a detectivity of 7.56 x 10(11) Jones, a photo-to-dark current ratio of 119, and a fast rise time of 0.297 ms under visible illumination. These performance metrics are directly attributed to the optimized heterointerface, where the built-in electric field at the nanoscale WS2/SnS2 junctions promotes efficient charge separation and minimizes recombination losses. Notably, the device retains over 95\% of its initial performance even after 1 week of ambient exposure, highlighting its superior environmental robustness. This work introduces an interface-engineering strategy that leverages the unique electronic properties of earth-abundant, nontoxic two-dimensional materials, offering a viable pathway for scalable, high-speed, and stable photodetectors suitable for next-generation optoelectronic systems.

}, keywords = {2D, CVD, heterojunction, photodetector, SnS2, WS2}, doi = {10.1021/acsanm.5c04078}, author = {Das, Chayan and Kumar, Suresh and Sharma, Anjali and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @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 {50054, title = {Enhanced electrochemical performance of flexible polymer supercapacitors through optimization of organic acid-doping, carbon nanomaterials, and fabrication techniques}, journal = {Journal of Power Sources}, volume = {666}, year = {2026}, month = {FEB}, pages = {239042}, type = {Article}, abstract = {

The proliferation of portable and wearable electronics necessitates flexible, high-performance energy storage devices. Flexible supercapacitors are poised to meet these demands due to their high power density, flexibility, and durability but scalable fabrication remains challenging due to costly and complex manufacturing methods. This study addresses this issue by implementing scalable, cost-effective spray coating and screen printing techniques to fabricate flexible micro-interdigitated supercapacitors (FMIS) based on Polyaniline (PANI) composites with carbon nanomaterials, using organic acids as crosslinking agents synthesized via hydrogel strategy. The formation of PANI emeraldine salt was verified through X-ray photoelectron spectroscopy, indicating key amine and imine functionalities, while scanning electron microscopy revealed surface morphologies with enhanced active surface areas beneficial for charge storage. Advanced 3D tomography maps porosity distribution and surface area per unit volume, correlating with electroactive areas calculated from the Randles-Sevcik equation. Electrochemical testing via cyclic voltammetry demonstrates an impressive areal capacitance of 173.2 +/- 9.6 mF cm-2 at 10 mV s-1 with Dunn{\textquoteright}s method distinguishing capacitive from diffusive contributions. Furthermore, EIS measurements highlight lower solution resistance in screen-printed devices, emphasizing the advantages of optimized electrode morphology for efficient charge transport. This study establishes a scalable approach for high-performance flexible supercapacitors, paving the way for next-generation energy storage solutions.

}, keywords = {Carbon nanomaterials, Coating techniques, Flexible Supercapacitors, PANI composites, X-ray micro-tomography}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2025.239042}, author = {Parul and Lakshmi, Racherla Bhagya and Utturkar, Vivek and Natu, Varun and Aramanda, Shanmukha Kiran and Ramamurthy, Praveen C. and Kaka, Fiyanshu} } @article {50042, title = {Exploring the role of large synthons in the design of bicomponent salts of cimetidine}, journal = {Crystal Growth \& Design}, volume = {26}, year = {2026}, month = {FEB }, pages = {1875-1884}, type = {Article}, abstract = {

Cimetidine, a popular histamine H2-receptor antagonist, represents a complex structural landscape exhibiting multiple forms. Attempts to synthesize a bicomponent salt with fumaric acid suffered from crystallization challenges in the past, especially toward the growth of anhydrous single crystals. In this work, we address these crystallization challenges by adopting an alternative crystallization approach involving ionic liquids and analyzing the structural landscape with a large synthon-based approach. Two novel forms of cimetidine fumarate were isolated. The structural differences in the forms of cimetidine fumarate were further explored by using different coformers as structural probes.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5c01761}, author = {Khatun, Saheba and Sar, Bandana and Hosmani, Girish Siddanagouda and Mishra, Manish Kumar and Ravi, Punna Rao and Mukherjee, Arijit} } @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 {50026, title = {Lattice dynamics and electron-phonon coupling in geometrically distorted halide double perovskites}, journal = {Journal of Physical Chemistry C}, volume = {130}, year = {2026}, month = {MAR }, pages = {3486-3503}, type = {Article}, abstract = {

Electron-phonon coupling is a critical factor in regulating the photophysical behavior of halide double perovskites (HDPs), influencing their emission broadening through lattice softness and exciton dynamics. In this work, we investigate four structurally distorted compounds, such as Cs2Ag0.4Na0.6InCl6, Cs2NaIn0.9Bi0.1Cl6, Cs2AgIn0.9Bi0.1Cl6, and Cs2Ag0.4Na0.6In0.9Bi0.1Cl6, prominent for their broad emission characteristics. Our combined experimental analysis and numerical models demonstrate that the electron-phonon coupling is dictated by the interplay between the sublattice distortion and the bonding nature between the metal and halide atoms, which vitally modulates the overall lattice softness and the resulting spectral broadening. The introduction of more ionic Na-Cl bonds in the HDP structure softens (weaker bonding) the lattice and enhances the phonon population, resulting in strong coupling between the electron and phonon, as quantified by the Huang-Rhys factor for Cs2NaIn0.9Bi0.1Cl6 (18.88), Cs2Ag0.4Na0.6InCl6 (17.64), and Cs2Ag0.4Na0.6In0.9Bi0.1Cl6 (14.46). Raman analysis further evidences Na-induced lattice softness with a 5 cm-1 red shift of the A1g mode in Cs2NaIn0.9Bi0.1Cl6, compared to Ag-containing HDPs. These findings highlight that Na-based compounds have stronger electron-phonon coupling than Cs2AgIn0.9Bi0.1Cl6. Furthermore, temperature-dependent phonon dynamics using the cubic anharmonic model and the three-phonon anharmonicity theory demonstrate that the distorted structures involve a phonon anharmonicity due to the thermal disorder. We show that strong coupling between the electron and the energetic phonon broadens the emission spectrum but suppresses the PL intensity. This quenching may arise from the excessive phonon-intervened nonradiative relaxations in the Na-rich compounds. By contrast, the temperature-dependent PL of Cs2Ag0.4Na0.6In0.9Bi0.1Cl6, a compound with maximum PL intensity, reveals the major contribution of optical phonon to electron-phonon coupling, which facilitated the efficient STE formation. This study highlights the significance of lattice softness to regulate the optoelectronic properties of the halide double perovskites, providing a design approach for compositional engineering towards high-performance optoelectronic devices.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5c07577}, author = {Kanapathi, Prakash and Ravi, Nalini and Mohan, Subramaniam and Vijayan, Viswanathan and Appadurai, Tamilselvan} } @article {49960, title = {(NHC-olefin)-nickel(0) nanoparticles: an efficient and selective catalyst for hydrogenation reactions at low temperature and pressure}, journal = {Journal of Catalysis}, volume = {453}, year = {2026}, month = {JAN}, pages = {116487}, type = {Article}, abstract = {

The reduction of a NHC-cinnamyl nickel(II) organometallic complex through the use of different MeMgBr or MeMgCl reagents led to two types of NHC-olefin-coordinated nickel nanoparticles. Both of these unsupported nickel-NHC based nanomaterials behaved under hydrogen pressure as effective and selective catalysts operating at low temperature (\<= 80 degrees C), pressure (\<= 20 bar) and loading (\<= 6 mol\%) for the reductions of broad scopes of alkenes, alkynes, imines and heterocycles, including a challenging tetra-substituted alkene. Among these two nickel-NHC nanocatalysts, the one generated with MeMgCl showed a significant high catalytic activity with high yields and could stand the comparison with Raney nickel and state-of-the-art nickel nanocatalysts. For example, by studying the hydrogenation of 1-phenylcyclohexene in ethanol at 60 degrees C under 10 bar of H2, 3 mol\% of this catalyst achieved the reaction within a single hour on a 5 mmol/0.8 g substrate scale with a yield of 96 \%, a turnover number (TON) of 32 and a turnover frequency (TOF) of 32. Characterizations confirmed the coordination of the NHC-olefin ligands to the nickel nanoparticles, the reduced state of the nickel and the (poly-) crystallinity of the nanoparticles.

}, keywords = {alkenes, Alkynes, heterocycles, Hydrogenation, imines, N -heterocyclic carbene ligand, nanocatalysis, Nickel}, issn = {0021-9517}, doi = {10.1016/j.jcat.2025.116487}, author = {Avello, Marta G. and Singh, Geetika and Truong-Phuoc, Lai and Vidal, Loic and Papaefthimiou, Vasiliki and Chesse, Matthieu and Gruber, Nathalie and Chetcuti, Michael J. and Vanka, Kumar and Ritleng, Vincent and Pham-Huu, Cuong and Michon, Christophe} } @article {49801, title = {Potential tuneable glucose oxidation to selective C6 molecules and CC cleavage, and parallel green H2 production: sustainable high current density electrolysis}, journal = {Chemical Engineering Journal}, volume = {529}, year = {2026}, month = {FEB}, pages = {172633}, type = {Article}, abstract = {

Current study elucidates the electrocatalytic efficacy of palladium-nanocubes (Pd-NCs) for the selective oxidation of glucose to value-added chemicals with concomitant hydrogen evolution. The Pd-NC catalyst demonstrated exceptional activity and product selectivity, achieving nearly quantitative glucose conversion (\>99 \%) with high gluconic and glucaric acid yield at low anodic overpotential (0.6 V vs. RHE) in alkaline electrolyte. At not-so-high elevated potentials (1.2 V vs. RHE), oxidative CC scission prevails, yielding shorter-chain carboxylates along with C6-acids. Reaction products are thoroughly characterized and quantitatively estimated by NMR spectral methods; NMR methods also provide CC cleavage and mechanistic pathways of glucose to various products. Complementary DFT calculations delineate the thermodynamic favorability of glucose adsorption on Pd-NC surfaces (-1.83 eV) and the exergonic oxidation pathway under applied bias, corroborating experimental product distributions. In a two-electrode electrolyzer, Pd-NC anode paired with Pt/C and Ni2P cathode demonstrates 100 mA/cm(2) at 0.99 V and 1.37 V, respectively, with 48 \% reduction in energy input (26.6 kWh/kg H-2) compared to conventional alkaline electrolysis; critically, H-2 production energy is lower than the usable energy (33.3 kWh/kg H-2). Sustainable chronopotentiometric assays confirm sustainability (similar to 140 h) in alkaline as well as saline electrolytes, underscoring the system{\textquoteright}s resilience against chloride-mediated corrosion. Present work establishes a proof of concept for integrated biomass-component valorization and carbon-negative green hydrogen production, merging atomic-level mechanistic insights with scalable reactor design. Optimization of reaction parameters, including potential tuning, reaction temperature and electrolyte engineering, offers a compelling strategy to further enhance C6 and fragmented product selectivity and overall system efficiency.

}, keywords = {biomass valorization, electrocatalysis, energy conversion, Sustainability}, issn = {1385-8947}, doi = {10.1016/j.cej.2026.172633}, author = {Chauhan, Inderjeet and Patra, Kshirodra Kumar and Vijay, Pothoppurathu M. and Nalajala, Naresh and Mehta, Shweta and Joshi, Kavita and Ravindranathan, Sapna and Gopinath, Chinnakonda S.} } @article {50049, title = {Simple two-step gelation process to strengthen 3D printed carboxy methyl cellulose gels}, journal = {Cellulose}, volume = {33}, year = {2026}, month = {MAR}, pages = {2015-2030}, type = {Article}, abstract = {

Carboxymethyl cellulose (CMC) is a water-soluble cellulose ether that is widely utilized in hydrogel applications due to its exceptional water absorption and biocompatibility. This study reports a simple two step strategy to make mechanically robust CMC gels without any additional chemical crosslinkers and how it could be leveraged to strengthen 3D printed CMC gels. These hydrogels, prepared through acid-induced gelation followed by freeze-thawing, exhibited a compressive modulus of 12.4 +/- 0.92 kPa and a compressive strength of 491.0 +/- 18.1 kPa. They could be leveraged for strengthening 3D printing hydrogels of intricate shapes by direct ink writing. Small amplitude oscillatory shear (SAOS) tests indicated an order of magnitude higher storage modulus for freeze-thawed gels (FC) as compared to only acid-induced CMC gels (HCMC). Nonetheless, stress relaxation experiments revealed that FC, as well as HCMC gels, relax at similar time scales. FC gels exhibited clear birefringence under crossed polarizers, indicating molecular ordering that is consistent with the presence of ordered/crystalline domains. Such ordered domains likely contribute to the higher elastic modulus and compressive strength observed in FC gels as compared to HCMC gels.

}, keywords = {3D printing, Carboxymethyl cellulose, cellulose, Gels}, issn = {0969-0239}, doi = {10.1007/s10570-026-06963-y}, author = {Rajput, Tejas and Sathe, Asmi and Gopal, Animesh and Sharma, Aakash and Shanmuganathan, Kadhiravan} } @article {50029, title = {Solvent-assisted chemical recycling of polycarbonate using glycerol as a renewable chemical: mechanistic insights and statistical optimization}, journal = {Process Safety and Environmental Protection}, volume = {209}, year = {2026}, month = {MAR}, pages = {108592}, type = {Article}, abstract = {

The rapid accumulation of polycarbonate (PC) waste has driven the development of efficient recycling methods. This study presents a comprehensive investigation of solvent-assisted chemical recycling of PC using glycerol, a renewable chemical derived from industrial waste streams. Solvent screening highlighted the critical influence of solvent properties such as dielectric constant, dipole moment and hydrogen-bond accepting ability on depolymerization efficiency. A systematic approach combining Design of Experiments (DoE) and Response Surface Methodology (RSM) was employed to optimize the depolymerization process. Using a Box-Behnken design (BBD), the effects of key process parameters, including temperature, reaction time and the glycerol (GLY:PC) and dimethylformamide (DMF:PC) weight ratios, were evaluated in terms of PC conversion and bisphenol A (BPA) yield. The optimization model predicted that a reaction temperature of 171 degrees C, a reaction time of 1 h and a PC: GLY:DMF ratio of 1:5.05:7.22 would yield 100 \% PC conversion and 85 \% BPA yield. Experimental validation under these conditions achieved 100 \% PC conversion and 83 \% BPA yield, confirming the reliability of the model. Product characterization using NMR, LC-HRMS and FTIR confirmed the purity of BPA and provided insights into the reaction mechanism. The solvent recyclability across successive reaction cycles demonstrated the environmental and economic viability of the process. Overall, the energy demand calculation based on the environmental energy impact factor (xi) highlights the industrial relevance of this work and demonstrate an efficient and environmentally friendly catalyst-free route for depolymerization of polycarbonate with strong potential for industrial implementation.

}, keywords = {Chemical Recycling, Glycerol, Polycarbonate, Response surface methodology}, issn = {0957-5820}, doi = {10.1016/j.psep.2026.108592}, author = {Markandeya, Nishant and Jadhav, Mayur and Gopale, Prafulla and Ramalingam, Karthick and Kamble, Sanjay} } @article {50035, title = {Sustainable nanocellulose extraction from salacca zalacca peel using chlorine-free and low-acid treatments}, journal = {ACS Omega}, volume = {11}, year = {2026}, month = {MAR}, pages = {13253-13267}, type = {Article}, abstract = {

Conversion of agro-waste to value-added products is one of the important principles of a green circular economy. A novel sustainable technique has been reported by using chlorine-free extraction of cellulose nanofibers (CNFs) from the peels of Salacca zalacca, a common fruit found in Asia. The fruit peels were exposed to alkali treatment using 2\% NaOH (60 degrees C, 2 h), chlorine-free bleaching using 15\% hydrogen peroxide (60 degrees C, 2 h), and sulfuric acid hydrolysis (15\% v/v) for the extraction of CNFs. Various analytical methods were employed to characterize the prepared CNFs. The Fourier transform infrared spectroscopy (FTIR) and 13C solid state nuclear magnetic resonance (NMR) spectra showed the complete elimination of lignin and hemicellulose in the prepared CNFs. The elemental composition and high purity of CNFs were further verified by energy-dispersive X-ray analysis (EDX). The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images proved the fibrous morphology of the prepared CNFs, and the diameters of the cellulose nanofibers were found to be 15-30 nm. The X-ray diffraction (XRD) studies disclosed the type-I cellulosic structure in the prepared CNFs with a high crystallinity index (73\%). The thermogravimetric analysis (TGA) demonstrated the superior thermal stability of the prepared CNFs (T max is 350 degrees C) compared to the raw fiber (T max is 320 degrees C). Based on the obtained results, it has been explored that the extracted highly pure CNFs can be used for fabricating bionanocomposites for high performance applications, including food packaging, sensors, water treatment, green tires, etc.

}, issn = {2470-1343}, doi = {10.1021/acsomega.5c09694}, author = {Krishnan, Akhil and Paul, Sharon and Phiri, Resego and Srisuk, Rapeeporn and Kumar Singh, Manoj and Palaniappan, Sathish Kumar and Rangappa, Sanjay Mavinkere and Dominic, C. D. Midhun and Ajithkumar, Thalasseril G. and Siengchin, Suchart} } @article {50025, title = {Total synthesis of lucidimines/ganocalicines A/B, sinensine E, and ganocochlearine E}, journal = {Organic Letters}, volume = {28}, year = {2026}, month = {JAN}, pages = {1241-1246}, type = {Article}, abstract = {

The central tetracyclic framework shared by the Ganoderma alkaloids-lucidimines/ganocaclicines A and B, sinensine E, and ganocochlearine E-appears inherently predisposed to arise from a diyne-nitrile cyclotrimerization event. A Co(I)-catalyzed intramolecular [2 + 2 + 2]-alkynenitrile cyclotrimerization has been employed to accomplish the first racemic and enantioselective total syntheses of sinensine E, lucidimine A, and ganocochlearine E, thereby establishing/revising their assigned stereochemical structures.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c04999}, author = {Sai, Godi Kiran Venkata and Ramana, Chepuri V.} } @article {49795, title = {Vanillin-based recyclable thermosets and their glass fiber reinforced composites}, journal = {Macromolecular Chemistry and Physics}, volume = {227}, year = {2026}, month = {JAN}, type = {Article}, abstract = {

The accumulation of end-of-life plastic materials and composite reinforcement waste materials has brought much attention to developing sustainable alternatives and their re-processability. Incorporating covalent adaptable networks (CANs) into the crosslinked network bridges the concept of reversibility into the otherwise conventional non-reversible networks. This study investigates the structure-property relation in two reversible hardener systems derived from vanillin using Schiff base chemistry. The {\textquoteleft}{\textquoteleft}CAN{\textquoteright}{\textquoteright} systems were synthesized by condensation of vanillin with two amines, 4,4{\textquoteright}-oxydianiline and tris(2-aminoethyl)amine, respectively, to form Va_ODA and Va_TAEA. The epoxy thermosets exhibited glass transition temperatures (T-g) of 125 degrees C and 115 degrees C, respectively, for Va_ODA and Va_TAEA, which is superior to most reversible vanillin-based systems reported. The vitrimer-thermosets exhibited promising mechanical and thermal properties, and reshaping abilities as a function of applied temperatures, indicating the dynamic nature of linkages. Chemical degradability was demonstrated by heating to 80 degrees C for 12 h in aqueous acidic medium or excess amine. The fabricated glass fiber composites exhibited good mechanical properties with tensile strength of 361 MPa and degradability in acetic acid/water mixture with a fiber recovery of \>98 \%. The recovered glass fiber exhibited almost similar tensile strength as the virgin glass fiber, demonstrating its potential reusability. The epoxy vitrimers underwent mechanical reprocessing through hot-pressing, as well as chemical reprocessing via 3D printing and by regeneration of imine bonds to form an epoxy resin.

}, keywords = {3D printing, covalent adaptable network, re-processability, Schiff base, Vanillin}, issn = {1022-1352}, doi = {10.1002/macp.202500420}, author = {Veetil, Ashwani Puthiya and Ravikumar, Aniruddha and Rajput, Tejas and Singh, Aman Kumar and Thakur, Tamanna and Krishna, Abhijith and Pol, Harshawardhan and Shanmuganathan, Kadhiravan and Asha, S. K.} } @article {49822, title = {Waste-to-sensor: repurposing spent Li-ion battery graphite into reduced graphene oxide for electrochemical detection of ascorbic acid}, journal = {Resources Conservation and Recycling}, volume = {225}, year = {2026}, month = {JAN}, pages = {108610}, type = {Article}, abstract = {

Spent lithium-ion batteries (S-LIBs) are typically discarded in landfills after their lifecycle ends, despite containing valuable materials like graphite. While much research focuses on extracting precious metals from the cathode, this study explores the recycling, recovery, and reuse of spent graphite, converting it into reduced graphene oxide (rGO) for electrochemical sensing. The rGO material demonstrated excellent sensitivity to ascorbic acid (AA) in a concentration range of 1 mM to 100 mM at pH 7.6, offering a cost-effective solution for AA detection. The recovered graphite (RG) from S-LIBs and commercial graphite (CG) was first converted into graphene oxide (R-GO, C-GO) and then reduced (R-rGO, C-rGO). This material underwent extensive structural characterization using techniques such as powder X-ray diffraction (PXRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) analysis, field-emission scanning electron microscopy (FE-SEM), and high-resolution transmission electron microscopy (HR-TEM). Electrochemical performance was evaluated through cyclic voltammetry (CV), differential pulse voltammetry (DPV). This study underscores the {\textquoteleft}{\textquoteleft}waste-to-wealth{\textquoteright}{\textquoteright} concept and supports circular economy principles by transforming electronic waste into a valuable resource. The LOD and LOQ for both the material R-rGO and C-rGO were calculated as 3.055 mM, 10.18 mM, and 3.41 mM, 11.36 mM, respectively. The rGO-based sensor not only promotes sustainable recycling but also offers a low-cost, high-performance solution for ascorbic acid detection, with potential applications in food quality monitoring, medical diagnostics, and the cosmetic industry.

}, keywords = {circular economy, Closed loop recycling, Electrochemical sensor, Graphite recovery, Hydrometallurgy, Spent Li-ion batteries}, issn = {0921-3449}, doi = {10.1016/j.resconrec.2025.108610}, author = {Rawat, Purnima and Shivamurthy, B. P. and Patil, Vaibhav J. and Nayaka, G. P.} }